data_global 
_audit_creation_date        10-04-07
_audit_creation_method CRYSTALS_ver_12.85

_oxford_structure_analysis_title  'Kinetics of deprotonation in phlogopite'
_chemical_name_systematic         ?
_chemical_melting_point           ?

#looking for refcif 
 
 
# Check this file using the IUCr facility at: 
# http://checkcif.iucr.org/ 
 
# The content below is held in the file 'script/refcif.dat'. This is a text 
# file which you may edit to reflect local conditions. 
# Items which need looking at are represented by a '?'. 
# Items for which there are choices are prefixed with 'choose from'. 
 
_publ_contact_letter 
; 
 ?
; 
_publ_contact_author_name         'Fernando Scordari' 
_publ_contact_author_address 
; 
 Geomineralogic Department, 
 University of Bari, 
 via Orabona, N.4 I-70125, IT. 
; 
 
_publ_contact_author_phone        '+39 80 5442586' 
_publ_contact_author_fax          '+39 80 5442591' 
_publ_contact_author_email        'f.scordari@geomin.uniba.it' 
_publ_requested_journal           '..' 
_publ_requested_category          EO # choose from: FI FM FO CI CM CO AD 
_publ_requested_coeditor_name     '..' 
 
_publ_section_title 
; 
Kinetics of Fe-oxydation/deprotonation process in Fe-rich phlogopite under isothermal conditions 
; 
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary. 
loop_ 
 _publ_author_name 
 _publ_author_address 

 'Zema M.' 
; 
 Dipartimento di Scienze della Terra, 
 Università di Pavia, 
 via Ferrata, N.1 I-27100, IT. 
; 
 
 'Ventruti G.' 
;
 Dipartimento Geomineralogico, 
 Università di Bari, 
 via Orabona, N.4 I-70125, IT. 
; 
 
 'Lacalamita M.' 
;
 Dipartimento Geomineralogico, 
 Università di Bari, 
 via Orabona, N.4 I-70125, IT. 
; 
  
 'Scordari F.' 
;
 Dipartimento Geomineralogico, 
 Università di Bari, 
 via Orabona, N.4 I-70125, IT. 
; 

_cell_length_a                    5.3435(2)
_cell_length_b                    9.2530(5)
_cell_length_c                    10.2458(5)
_cell_angle_alpha                 90
_cell_angle_beta                  100.006(4)
_cell_angle_gamma                 90
_cell_volume                      498.88(5)
 
_symmetry_cell_setting            'Monoclinic' 
_symmetry_space_group_name_H-M    'C 1 2/m 1 ' 
_symmetry_space_group_name_Hall   ? 
loop_
 _symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 'x+1/2,y+1/2,z'
 '-x+1/2,-y+1/2,-z'
 '-x,y,-z'
 'x,-y,z'
 '-x+1/2,y+1/2,-z'
 'x+1/2,-y+1/2,z'

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source  
 H       0.0000   0.0000   0.4930  10.5109   0.3229  26.1257   0.1402   3.1424
   0.0408  57.7997   0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Lip1    0.0000   0.0000   0.6968   4.6237   0.7888   1.9557   0.3414   0.6316
   0.1563  10.0953   0.0167 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fep2    0.3010   0.8450  11.0424   4.6538   7.3740   0.3053   4.1346  12.0546
   0.4399  31.2809   1.0097 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Cap2    0.2030   0.3060  15.6348  -0.0074   7.9518   0.6089   8.4372  10.3116
   0.8537  25.9905 -14.8750 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Nap1    0.0300   0.0250   3.2565   2.6671   3.9362   6.1153   1.3998   0.2001
   1.0032  14.0390   0.4040 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Kp1     0.1790   0.2500   7.9578  12.6331   7.4917   0.7674   6.3590  -0.0020
   1.1915  31.9128  -4.9978 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Mgp2    0.0420   0.0360   3.4988   2.1676   3.8378   4.7542   1.3284   0.1850
   0.8497  10.1411   0.4853 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fep3    0.3010   0.8450  11.1764   4.6147   7.3863   0.3005   3.3948  11.6729
   0.0724  38.5566   0.9707 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Alp3    0.0560   0.0520   4.1745   1.9382   3.3876   4.1455   1.2030   0.2288
   0.5281   8.2852   0.7068 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Crp3    0.2840   0.6240   9.6809   5.5946   7.8114   0.3344   2.8760  12.8288
   0.1136  32.8761   0.5183 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Zrp4   -2.9650   0.5600  18.1668   1.2148  10.0562  10.1483   1.0112  21.6054
  -2.6479  -0.1028   9.4145 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Tip4    0.2480   0.4460  19.5114   0.1789   8.2347   6.6702   2.0134  -0.2926
   1.5208  12.9464 -13.2800 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Si      0.0720   0.0710   6.2915   2.4386   3.0353  32.3337   1.9891   0.6785
   1.5410  81.6937   1.1407 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Sip4    0.0720   0.0710   4.4392   1.6417   3.2034   3.4376   1.1945   0.2149
   0.4165   6.6536   0.7463 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 O       0.0080   0.0060   3.0485  13.2771   2.2868   5.7011   1.5463   0.3239
   0.8670  32.9089   0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Om2     0.0080   0.0060   3.7504  16.5151   2.8429   6.5920   1.5430   0.3192
   1.6209  43.3486   0.2421 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Om1     0.0080   0.0060   4.1916  12.8573   1.6397   4.1724   1.5267  47.0179
 -20.3070  -0.0140  21.9412 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 F       0.0140   0.0100   3.5392  10.2825   2.6412   4.2944   1.5170   0.2615
   1.0243  26.1476   0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fm1     0.0140   0.0100   3.6322   5.2776   3.5106  14.7353   1.2606   0.4423
   0.9407  47.3437   0.6534 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 
 
_cell_formula_units_Z                    8

# Given Formula = H1 Alp30.06 Cap20.24 Crp30.01 F0.50 Fep20.01 Fep30.10 Fm10.50 Kp10.50 Lip10.50 
# Dc =      2.54 Fooo =    335.04 Mu =     49.49 M =     95.25
# Found Formula = H0.20 Fep20.08 Kp10.06 Mgp20.23 O0.84 Om21.66 Si0.79 Sip40.20 
# Dc =      2.94 FOOO =    335.04 Mu =     49.32 M =    110.34

_chemical_formula_sum             'H0.20 Fep20.08 Kp10.06 Mgp20.23 O0.84 Om21.66 Si0.79 Sip40.20'
_chemical_formula_moiety          'H0.20 Fep20.08 Kp10.06 Mgp20.23 O0.84 Om21.66 Si0.79 Sip40.20'
_chemical_compound_source                ?
_chemical_formula_weight            110.34
 
 
_cell_measurement_reflns_used            0
_cell_measurement_theta_min              0
_cell_measurement_theta_max              0
_cell_measurement_temperature          293
 
_exptl_crystal_description        '?' 
_exptl_crystal_colour             '?' 
_exptl_crystal_size_min           0.015 
_exptl_crystal_size_mid           0.23 
_exptl_crystal_size_max           0.30 
 
_exptl_crystal_density_diffrn     2.938 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
# Non-dispersive F(000): 
_exptl_crystal_F_000              335.043 
_exptl_absorpt_coefficient_mu     4.932 
 
# Sheldrick geometric approximatio 1.00 1.00 
_exptl_absorpt_correction_type    'SADABS (Siemens, 1996)' 
_exptl_absorpt_correction_T_min   1.0000 
_exptl_absorpt_correction_T_max   1.0000 
_diffrn_measurement_device        'Unknown' 
_diffrn_measurement_device_type   'CCD' 
_diffrn_radiation_monochromator   'graphite' 
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength           0.71070
_diffrn_measurement_method        'φ & ω scans' 
 
# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection        'USER DEFINED DATA COLLECTION' 
_computing_cell_refinement        'USER DEFINED CELL REFINEMENT' 
_computing_data_reduction         'USER DEFINED DATA REDUCTION' 
_computing_structure_solution     'USER DEFINED STRUCTURE SOLUTION' 
_computing_structure_refinement   'CRYSTALS (Betteridge et al., 2003)' 
_computing_publication_material   'CRYSTALS (Betteridge et al., 2003)' 
_computing_molecular_graphics     'CAMERON (Watkin et al., 1996)' 
 
_diffrn_standards_interval_time   . 
_diffrn_standards_interval_count  . 
_diffrn_standards_number          0 
_diffrn_standards_decay_%         ? 
 
_diffrn_ambient_temperature        293
_diffrn_reflns_number             18221 
_reflns_number_total              2010 
_diffrn_reflns_av_R_equivalents   0.053 
# Number of reflections with Friedels Law is 2010 
# Number of reflections without Friedels Law is 0 
# Theoretical number of reflections is about 1934 
 
 
_diffrn_reflns_theta_min          4.456 
_diffrn_reflns_theta_max          43.838 
_diffrn_measured_fraction_theta_max 0.991 
 
_diffrn_reflns_theta_full         42.523 
_diffrn_measured_fraction_theta_full 0.996 
 
 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_reflns_limit_h_min               -10 
_reflns_limit_h_max               10 
_reflns_limit_k_min               0 
_reflns_limit_k_max               17 
_reflns_limit_l_min               0 
_reflns_limit_l_max               19 
 
_oxford_diffrn_Wilson_B_factor    0.00 
_oxford_diffrn_Wilson_scale       0.00 
 
_atom_sites_solution_primary      direct #heavy,direct,difmap,geom
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens    geom
 
_refine_diff_density_min          -0.42 
_refine_diff_density_max          0.84 
 
 
# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 
 
 
# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref     I>3.0\s(I)
_refine_ls_number_reflns          817 
_refine_ls_number_restraints      26 
_refine_ls_number_parameters      72 
_oxford_refine_ls_R_factor_ref    0.0304 
_refine_ls_wR_factor_ref          0.0359 
_refine_ls_goodness_of_fit_ref    1.0110 
_refine_ls_shift/su_max           0.01486 
 
 
# The values computed from all data 
_oxford_reflns_number_all         2008 
_refine_ls_R_factor_all           0.0821 
_refine_ls_wR_factor_all          0.0624 
 
# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression      I>2.0σ(I)
_reflns_number_gt                 967 
_refine_ls_R_factor_gt            0.0350 
_refine_ls_wR_factor_gt           0.0362 
 
# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration  '.' 
 
 
_refine_ls_structure_factor_coef  F 
_refine_ls_matrix_type            full
_refine_ls_hydrogen_treatment     mixed          # none, undef, noref, refall,
                                                 # refxyz, refU, constr or mixed
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 0.535 1.51 0.145 0.439 0.494E-01 
;
# Insert your own references if required - in alphabetical order 
_publ_section_references 
; 
User-defined structure solution reference 
 
User-defined data collection reference 
 
User defined data reduction 
 
User defined cell refinement 
 
Betteridge, P.W., Carruthers, J.R., Cooper, R.I., 
Prout, K. & Watkin, D.J. (2003). J. Appl. Cryst. 36, 1487. 
 
Prince, E. 
Mathematical Techniques in Crystallography 
and Materials Science 
Springer-Verlag, New York, 1982. 
 
Watkin D.J. (1994). 
Acta Cryst, A50, 411-437. 
 
Watkin, D.J., Prout, C.K. & Pearce, L.J. (1996). CAMERON, Chemical 
Crystallography Laboratory, Oxford, UK. 
; 

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atomsattached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_oxford_atom_site_special_shape
_atom_site_attached_hydrogens
Kp11 Kp1 0.0000 0.5000 0.0000 0.0327 1.0330(8) Uani . . P . . . . 
Mgp22 Mgp2 0.0000 0.0000 0.5000 0.0108 0.7479(7) Uani . . P . . . . 
Fep22 Fep2 0.0000 0.0000 0.5000 0.0108 0.2520(7) Uani . . P . . . . 
Mgp23 Mgp2 0.0000 0.33531(8) 0.5000 0.0117 0.7429(7) Uani . . P . . . . 
Fep23 Fep2 0.0000 0.33531(8) 0.5000 0.0117 0.2571(7) Uani . . P . . . . 
Sip44 Sip4 0.07522(9) 0.16690(5) 0.22591(5) 0.0110 0.1960(10) Uani . . P . . . . 
Si4 Si 0.07522(9) 0.16690(5) 0.22591(5) 0.0110 0.7855(10) Uani . . P . . . . 
Om25 Om2 0.3300(3) 0.22577(18) 0.16855(16) 0.0198 0.6183(8) Uani . . P . . . . 
O5 O 0.3300(3) 0.22577(18) 0.16855(16) 0.0198 0.3818(8) Uani . . P . . . . 
Om26 Om2 0.0080(5) 0.0000 0.1697(2) 0.0204 0.8197(8) Uani . . P . . . . 
O6 O 0.0080(5) 0.0000 0.1697(2) 0.0204 0.1805(8) Uani . . P . . . . 
Om27 Om2 0.1307(2) 0.16748(15) 0.39138(14) 0.0127 0.6994(8) Uani . . P . . . . 
O7 O 0.1307(2) 0.16748(15) 0.39138(14) 0.0127 0.3007(8) Uani . . P . . . . 
Om28 Om2 0.1317(4) 0.5000 0.3987(2) 0.0137 0.5377(8) Uani . . P . . . . 
O8 O 0.1317(4) 0.5000 0.3987(2) 0.0137 0.4624(8) Uani D . P . . . . 
H9 H 0.100(17) 0.5000 0.315(4) 0.07(3) 0.7984(10) Uiso D . P . . . . 

_refine_ls_extinction_method 
    'None'
_oxford_refine_ls_scale 0.5598(15) 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_site_symmetry_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
Mgp22 . Om28 4_556 2.059(2)    yes
Mgp22 . Om28 3_445 2.059(2)    yes
Mgp22 . O8 3_445 2.059(2)    yes
Mgp22 . O8 4_556 2.059(2)    yes
Mgp22 . O7 6_555 2.0972(14)    yes
Mgp22 . O7 5_556 2.0972(14)    yes
Mgp22 . Om27 6_555 2.0972(14)    yes
Mgp22 . O7 2_556 2.0972(14)    yes
Mgp22 . Om27 . 2.0972(14)    yes
Mgp22 . O7 . 2.0972(14)    yes
Fep22 . Om27 6_555 2.0972(14)    yes
Fep22 . O7 2_556 2.0972(14)    yes
Fep22 . O7 5_556 2.0972(14)    yes
Fep22 . O7 6_555 2.0972(14)    yes
Fep22 . Om27 2_556 2.0972(14)    yes
Fep22 . Om27 5_556 2.0972(14)    yes
Fep22 . Om28 7_546 2.059(2)    yes
Fep22 . Om28 3_445 2.059(2)    yes
Fep22 . O8 4_556 2.059(2)    yes
Fep22 . O8 3_445 2.059(2)    yes
Fep22 . Om27 . 2.0972(14)    yes
Fep22 . O7 . 2.0972(14)    yes
Mgp23 . Om28 2_566 2.0366(15)    yes
Mgp23 . O8 2_566 2.0366(15)    yes
Mgp23 . Om27 8_455 2.0904(13)    yes
Mgp23 . Om27 4_556 2.0904(13)    yes
Mgp23 . O7 8_455 2.0904(13)    yes
Mgp23 . O7 4_556 2.0904(13)    yes
Mgp23 . Om27 5_556 2.0996(15)    yes
Mgp23 . O7 5_556 2.0996(15)    yes
Mgp23 . Om27 . 2.0996(15)    yes
Mgp23 . O7 . 2.0996(15)    yes
Mgp23 . Om28 . 2.0366(15)    yes
Mgp23 . O8 . 2.0366(15)    yes
Fep23 . Om27 5_556 2.0996(15)    yes
Fep23 . O7 5_556 2.0996(15)    yes
Fep23 . Om27 8_455 2.0904(13)    yes
Fep23 . Om27 4_556 2.0904(13)    yes
Fep23 . O7 8_455 2.0904(13)    yes
Fep23 . O7 4_556 2.0904(13)    yes
Fep23 . O8 2_566 2.0366(15)    yes
Fep23 . Om28 5_556 2.0366(15)    yes
Fep23 . Om27 . 2.0996(15)    yes
Fep23 . O7 . 2.0996(15)    yes
Fep23 . Om28 . 2.0366(15)    yes
Fep23 . O8 . 2.0366(15)    yes
Sip44 . Om25 8_455 1.6677(15)    yes
Sip44 . O5 8_455 1.6677(15)    yes
Sip44 . Om25 . 1.6654(15)    yes
Sip44 . O5 . 1.6654(15)    yes
Sip44 . Om26 . 1.6656(10)    yes
Sip44 . O6 . 1.6656(10)    yes
Sip44 . Om27 . 1.6696(15)    yes
Sip44 . O7 . 1.6696(15)    yes
Si4 . Om25 8_455 1.6677(15)    yes
Si4 . O5 8_455 1.6677(15)    yes
Si4 . Om25 . 1.6654(15)    yes
Si4 . O5 . 1.6654(15)    yes
Si4 . Om26 . 1.6656(10)    yes
Si4 . O6 . 1.6656(10)    yes
Si4 . Om27 . 1.6696(15)    yes
Si4 . O7 . 1.6696(15)    yes
Om28 . H9 . 0.84(4)    no
O8 . H9 . 0.84(4)    no
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_site_symmetry_1
 _geom_angle_atom_site_label_2
 _geom_angle_site_symmetry_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
Om28 4_556 Mgp22 . Om28 3_445 179.994    yes
Om28 4_556 Mgp22 . O8 3_445 179.994    yes
Om28 3_445 Mgp22 . O8 4_556 179.994    yes
O8 3_445 Mgp22 . O8 4_556 179.994    yes
Om28 4_556 Mgp22 . O7 6_555 83.69(6)    yes
Om28 3_445 Mgp22 . O7 6_555 96.31(6)    yes
O8 3_445 Mgp22 . O7 6_555 96.31(6)    yes
O8 4_556 Mgp22 . O7 6_555 83.69(6)    yes
Om28 4_556 Mgp22 . O7 5_556 96.31(6)    yes
Om28 3_445 Mgp22 . O7 5_556 83.69(6)    yes
O8 3_445 Mgp22 . O7 5_556 83.69(6)    yes
O8 4_556 Mgp22 . O7 5_556 96.31(6)    yes
O7 6_555 Mgp22 . O7 5_556 179.995    yes
Om28 4_556 Mgp22 . Om27 6_555 83.69(6)    yes
Om28 3_445 Mgp22 . Om27 6_555 96.31(6)    yes
O8 3_445 Mgp22 . Om27 6_555 96.31(6)    yes
O8 4_556 Mgp22 . Om27 6_555 83.69(6)    yes
Om28 4_556 Mgp22 . O7 2_556 96.31(6)    yes
Om28 3_445 Mgp22 . O7 2_556 83.69(6)    yes
O8 3_445 Mgp22 . O7 2_556 83.69(6)    yes
O8 4_556 Mgp22 . O7 2_556 96.31(6)    yes
O7 6_555 Mgp22 . O7 2_556 84.72(8)    yes
Om28 4_556 Mgp22 . Om27 . 83.69(6)    yes
Om28 3_445 Mgp22 . Om27 . 96.31(6)    yes
O8 3_445 Mgp22 . Om27 . 96.31(6)    yes
O8 4_556 Mgp22 . Om27 . 83.69(6)    yes
O7 6_555 Mgp22 . Om27 . 95.28(8)    yes
Om28 4_556 Mgp22 . O7 . 83.69(6)    yes
Om28 3_445 Mgp22 . O7 . 96.31(6)    yes
O8 3_445 Mgp22 . O7 . 96.31(6)    yes
O8 4_556 Mgp22 . O7 . 83.69(6)    yes
O7 6_555 Mgp22 . O7 . 95.28(8)    yes
O7 5_556 Mgp22 . Om27 6_555 179.995    yes
O7 5_556 Mgp22 . O7 2_556 95.28(8)    yes
Om27 6_555 Mgp22 . O7 2_556 84.72(8)    yes
O7 5_556 Mgp22 . Om27 . 84.72(8)    yes
Om27 6_555 Mgp22 . Om27 . 95.28(8)    yes
O7 2_556 Mgp22 . Om27 . 179.995    yes
O7 5_556 Mgp22 . O7 . 84.72(8)    yes
Om27 6_555 Mgp22 . O7 . 95.28(8)    yes
O7 2_556 Mgp22 . O7 . 179.995    yes
Om27 6_555 Fep22 . O7 2_556 84.72(8)    yes
Om27 6_555 Fep22 . O7 5_556 179.995    yes
O7 2_556 Fep22 . O7 5_556 95.28(8)    yes
O7 2_556 Fep22 . O7 6_555 84.72(8)    yes
O7 5_556 Fep22 . O7 6_555 179.995    yes
Om27 6_555 Fep22 . Om27 2_556 84.72(8)    yes
O7 5_556 Fep22 . Om27 2_556 95.28(8)    yes
O7 6_555 Fep22 . Om27 2_556 84.72(8)    yes
Om27 6_555 Fep22 . Om27 5_556 179.995    yes
O7 2_556 Fep22 . Om27 5_556 95.28(8)    yes
O7 6_555 Fep22 . Om27 5_556 179.995    yes
Om27 2_556 Fep22 . Om27 5_556 95.28(8)    yes
Om27 6_555 Fep22 . Om28 7_546 83.69(6)    yes
O7 2_556 Fep22 . Om28 7_546 96.31(6)    yes
O7 5_556 Fep22 . Om28 7_546 96.31(6)    yes
O7 6_555 Fep22 . Om28 7_546 83.69(6)    yes
Om27 2_556 Fep22 . Om28 7_546 96.31(6)    yes
Om27 6_555 Fep22 . Om28 3_445 96.31(6)    yes
O7 2_556 Fep22 . Om28 3_445 83.69(6)    yes
O7 5_556 Fep22 . Om28 3_445 83.69(6)    yes
O7 6_555 Fep22 . Om28 3_445 96.31(6)    yes
Om27 2_556 Fep22 . Om28 3_445 83.69(6)    yes
Om27 6_555 Fep22 . O8 4_556 83.69(6)    yes
O7 2_556 Fep22 . O8 4_556 96.31(6)    yes
O7 5_556 Fep22 . O8 4_556 96.31(6)    yes
O7 6_555 Fep22 . O8 4_556 83.69(6)    yes
Om27 2_556 Fep22 . O8 4_556 96.31(6)    yes
Om27 6_555 Fep22 . O8 3_445 96.31(6)    yes
O7 2_556 Fep22 . O8 3_445 83.69(6)    yes
O7 5_556 Fep22 . O8 3_445 83.69(6)    yes
O7 6_555 Fep22 . O8 3_445 96.31(6)    yes
Om27 2_556 Fep22 . O8 3_445 83.69(6)    yes
Om27 6_555 Fep22 . Om27 . 95.28(8)    yes
O7 2_556 Fep22 . Om27 . 179.995    yes
O7 5_556 Fep22 . Om27 . 84.72(8)    yes
O7 6_555 Fep22 . Om27 . 95.28(8)    yes
Om27 2_556 Fep22 . Om27 . 179.995    yes
Om27 6_555 Fep22 . O7 . 95.28(8)    yes
O7 2_556 Fep22 . O7 . 179.995    yes
O7 5_556 Fep22 . O7 . 84.72(8)    yes
O7 6_555 Fep22 . O7 . 95.28(8)    yes
Om27 2_556 Fep22 . O7 . 179.995    yes
Om27 5_556 Fep22 . Om28 7_546 96.31(6)    yes
Om27 5_556 Fep22 . Om28 3_445 83.69(6)    yes
Om28 7_546 Fep22 . Om28 3_445 179.994    yes
Om27 5_556 Fep22 . O8 4_556 96.31(6)    yes
Om28 3_445 Fep22 . O8 4_556 179.994    yes
Om27 5_556 Fep22 . O8 3_445 83.69(6)    yes
Om28 7_546 Fep22 . O8 3_445 179.994    yes
O8 4_556 Fep22 . O8 3_445 179.994    yes
Om27 5_556 Fep22 . Om27 . 84.72(8)    yes
Om28 7_546 Fep22 . Om27 . 83.69(6)    yes
Om28 3_445 Fep22 . Om27 . 96.31(6)    yes
O8 4_556 Fep22 . Om27 . 83.69(6)    yes
O8 3_445 Fep22 . Om27 . 96.31(6)    yes
Om27 5_556 Fep22 . O7 . 84.72(8)    yes
Om28 7_546 Fep22 . O7 . 83.69(6)    yes
Om28 3_445 Fep22 . O7 . 96.31(6)    yes
O8 4_556 Fep22 . O7 . 83.69(6)    yes
O8 3_445 Fep22 . O7 . 96.31(6)    yes
Om28 2_566 Mgp23 . Om27 8_455 84.41(7)    yes
O8 2_566 Mgp23 . Om27 8_455 84.41(7)    yes
Om28 2_566 Mgp23 . Om27 4_556 96.65(7)    yes
O8 2_566 Mgp23 . Om27 4_556 96.65(7)    yes
Om27 8_455 Mgp23 . Om27 4_556 178.59(8)    yes
Om28 2_566 Mgp23 . O7 8_455 84.41(7)    yes
O8 2_566 Mgp23 . O7 8_455 84.41(7)    yes
Om27 4_556 Mgp23 . O7 8_455 178.59(8)    yes
Om28 2_566 Mgp23 . O7 4_556 96.65(7)    yes
O8 2_566 Mgp23 . O7 4_556 96.65(7)    yes
Om27 8_455 Mgp23 . O7 4_556 178.59(8)    yes
O7 8_455 Mgp23 . O7 4_556 178.59(8)    yes
Om28 2_566 Mgp23 . Om27 5_556 96.15(6)    yes
O8 2_566 Mgp23 . Om27 5_556 96.15(6)    yes
Om27 8_455 Mgp23 . Om27 5_556 84.43(6)    yes
Om27 4_556 Mgp23 . Om27 5_556 94.52(6)    yes
O7 8_455 Mgp23 . Om27 5_556 84.43(6)    yes
Om28 2_566 Mgp23 . O7 5_556 96.15(6)    yes
O8 2_566 Mgp23 . O7 5_556 96.15(6)    yes
Om27 8_455 Mgp23 . O7 5_556 84.43(6)    yes
Om27 4_556 Mgp23 . O7 5_556 94.52(6)    yes
O7 8_455 Mgp23 . O7 5_556 84.43(6)    yes
Om28 2_566 Mgp23 . Om27 . 178.63(7)    yes
O8 2_566 Mgp23 . Om27 . 178.63(7)    yes
Om27 8_455 Mgp23 . Om27 . 94.52(6)    yes
Om27 4_556 Mgp23 . Om27 . 84.43(6)    yes
O7 8_455 Mgp23 . Om27 . 94.52(6)    yes
Om28 2_566 Mgp23 . O7 . 178.63(7)    yes
O8 2_566 Mgp23 . O7 . 178.63(7)    yes
Om27 8_455 Mgp23 . O7 . 94.52(6)    yes
Om27 4_556 Mgp23 . O7 . 84.43(6)    yes
O7 8_455 Mgp23 . O7 . 94.52(6)    yes
Om28 2_566 Mgp23 . Om28 . 83.13(9)    yes
O8 2_566 Mgp23 . Om28 . 83.13(9)    yes
Om27 8_455 Mgp23 . Om28 . 96.65(7)    yes
Om27 4_556 Mgp23 . Om28 . 84.41(7)    yes
O7 8_455 Mgp23 . Om28 . 96.65(7)    yes
Om28 2_566 Mgp23 . O8 . 83.13(9)    yes
O8 2_566 Mgp23 . O8 . 83.13(9)    yes
Om27 8_455 Mgp23 . O8 . 96.65(7)    yes
Om27 4_556 Mgp23 . O8 . 84.41(7)    yes
O7 8_455 Mgp23 . O8 . 96.65(7)    yes
O7 4_556 Mgp23 . Om27 5_556 94.52(6)    yes
O7 4_556 Mgp23 . O7 5_556 94.52(6)    yes
O7 4_556 Mgp23 . Om27 . 84.43(6)    yes
Om27 5_556 Mgp23 . Om27 . 84.60(8)    yes
O7 5_556 Mgp23 . Om27 . 84.60(8)    yes
O7 4_556 Mgp23 . O7 . 84.43(6)    yes
Om27 5_556 Mgp23 . O7 . 84.60(8)    yes
O7 5_556 Mgp23 . O7 . 84.60(8)    yes
O7 4_556 Mgp23 . Om28 . 84.41(7)    yes
Om27 5_556 Mgp23 . Om28 . 178.63(7)    yes
O7 5_556 Mgp23 . Om28 . 178.63(7)    yes
Om27 . Mgp23 . Om28 . 96.15(6)    yes
O7 4_556 Mgp23 . O8 . 84.41(7)    yes
Om27 5_556 Mgp23 . O8 . 178.63(7)    yes
O7 5_556 Mgp23 . O8 . 178.63(7)    yes
Om27 . Mgp23 . O8 . 96.15(6)    yes
O7 . Mgp23 . Om28 . 96.15(6)    yes
O7 . Mgp23 . O8 . 96.15(6)    yes
Om27 5_556 Fep23 . Om27 8_455 84.43(6)    yes
O7 5_556 Fep23 . Om27 8_455 84.43(6)    yes
Om27 5_556 Fep23 . Om27 4_556 94.52(6)    yes
O7 5_556 Fep23 . Om27 4_556 94.52(6)    yes
Om27 8_455 Fep23 . Om27 4_556 178.59(8)    yes
Om27 5_556 Fep23 . O7 8_455 84.43(6)    yes
O7 5_556 Fep23 . O7 8_455 84.43(6)    yes
Om27 4_556 Fep23 . O7 8_455 178.59(8)    yes
Om27 5_556 Fep23 . O7 4_556 94.52(6)    yes
O7 5_556 Fep23 . O7 4_556 94.52(6)    yes
Om27 8_455 Fep23 . O7 4_556 178.59(8)    yes
O7 8_455 Fep23 . O7 4_556 178.59(8)    yes
Om27 5_556 Fep23 . O8 2_566 96.15(6)    yes
O7 5_556 Fep23 . O8 2_566 96.15(6)    yes
Om27 8_455 Fep23 . O8 2_566 84.41(7)    yes
Om27 4_556 Fep23 . O8 2_566 96.65(7)    yes
O7 8_455 Fep23 . O8 2_566 84.41(7)    yes
Om27 5_556 Fep23 . Om28 5_556 96.15(6)    yes
O7 5_556 Fep23 . Om28 5_556 96.15(6)    yes
Om27 8_455 Fep23 . Om28 5_556 84.41(7)    yes
Om27 4_556 Fep23 . Om28 5_556 96.65(7)    yes
O7 8_455 Fep23 . Om28 5_556 84.41(7)    yes
Om27 5_556 Fep23 . Fep22 8_555 137.34(4)    yes
O7 5_556 Fep23 . Fep22 8_555 137.34(4)    yes
Om27 8_455 Fep23 . Fep22 8_555 138.22(4)    yes
Om27 4_556 Fep23 . Fep22 8_555 42.82(4)    yes
O7 8_455 Fep23 . Fep22 8_555 138.22(4)    yes
Om27 5_556 Fep23 . Om27 . 84.60(8)    yes
O7 5_556 Fep23 . Om27 . 84.60(8)    yes
Om27 8_455 Fep23 . Om27 . 94.52(6)    yes
Om27 4_556 Fep23 . Om27 . 84.43(6)    yes
O7 8_455 Fep23 . Om27 . 94.52(6)    yes
Om27 5_556 Fep23 . O7 . 84.60(8)    yes
O7 5_556 Fep23 . O7 . 84.60(8)    yes
Om27 8_455 Fep23 . O7 . 94.52(6)    yes
Om27 4_556 Fep23 . O7 . 84.43(6)    yes
O7 8_455 Fep23 . O7 . 94.52(6)    yes
Om27 5_556 Fep23 . Om28 . 178.63(7)    yes
O7 5_556 Fep23 . Om28 . 178.63(7)    yes
Om27 8_455 Fep23 . Om28 . 96.65(7)    yes
Om27 4_556 Fep23 . Om28 . 84.41(7)    yes
O7 8_455 Fep23 . Om28 . 96.65(7)    yes
Om27 5_556 Fep23 . O8 . 178.63(7)    yes
O7 5_556 Fep23 . O8 . 178.63(7)    yes
Om27 8_455 Fep23 . O8 . 96.65(7)    yes
Om27 4_556 Fep23 . O8 . 84.41(7)    yes
O7 8_455 Fep23 . O8 . 96.65(7)    yes
O7 4_556 Fep23 . O8 2_566 96.65(7)    yes
O7 4_556 Fep23 . Om28 5_556 96.65(7)    yes
O7 4_556 Fep23 . Fep22 8_555 42.82(4)    yes
O8 2_566 Fep23 . Fep22 8_555 90.37(5)    yes
Om28 5_556 Fep23 . Fep22 8_555 90.37(5)    yes
O7 4_556 Fep23 . Om27 . 84.43(6)    yes
O8 2_566 Fep23 . Om27 . 178.63(7)    yes
Om28 5_556 Fep23 . Om27 . 178.63(7)    yes
O7 4_556 Fep23 . O7 . 84.43(6)    yes
O8 2_566 Fep23 . O7 . 178.63(7)    yes
Om28 5_556 Fep23 . O7 . 178.63(7)    yes
O7 4_556 Fep23 . Om28 . 84.41(7)    yes
O8 2_566 Fep23 . Om28 . 83.13(9)    yes
Om28 5_556 Fep23 . Om28 . 83.13(9)    yes
Om27 . Fep23 . Om28 . 96.15(6)    yes
O7 4_556 Fep23 . O8 . 84.41(7)    yes
O8 2_566 Fep23 . O8 . 83.13(9)    yes
Om28 5_556 Fep23 . O8 . 83.13(9)    yes
Om27 . Fep23 . O8 . 96.15(6)    yes
O7 . Fep23 . Om28 . 96.15(6)    yes
O7 . Fep23 . O8 . 96.15(6)    yes
Om25 8_455 Sip44 . Om25 . 108.74(6)    yes
O5 8_455 Sip44 . Om25 . 108.74(6)    yes
Om25 8_455 Sip44 . O5 . 108.74(6)    yes
O5 8_455 Sip44 . O5 . 108.74(6)    yes
Om25 8_455 Sip44 . Om26 . 108.74(10)    yes
O5 8_455 Sip44 . Om26 . 108.74(10)    yes
Om25 8_455 Sip44 . O6 . 108.74(10)    yes
O5 8_455 Sip44 . O6 . 108.74(10)    yes
Om25 8_455 Sip44 . Om27 . 110.24(8)    yes
O5 8_455 Sip44 . Om27 . 110.24(8)    yes
Om25 8_455 Sip44 . O7 . 110.24(8)    yes
O5 8_455 Sip44 . O7 . 110.24(8)    yes
Om25 . Sip44 . Om26 . 108.75(11)    yes
O5 . Sip44 . Om26 . 108.75(11)    yes
Om25 . Sip44 . O6 . 108.75(11)    yes
O5 . Sip44 . O6 . 108.75(11)    yes
Om25 . Sip44 . Om27 . 110.21(8)    yes
O5 . Sip44 . Om27 . 110.21(8)    yes
Om25 . Sip44 . O7 . 110.21(8)    yes
O5 . Sip44 . O7 . 110.21(8)    yes
Om26 . Sip44 . Om27 . 110.11(9)    yes
O6 . Sip44 . Om27 . 110.11(9)    yes
Om26 . Sip44 . O7 . 110.11(9)    yes
O6 . Sip44 . O7 . 110.11(9)    yes
Om25 8_455 Si4 . Om25 . 108.74(6)    yes
O5 8_455 Si4 . Om25 . 108.74(6)    yes
Om25 8_455 Si4 . O5 . 108.74(6)    yes
O5 8_455 Si4 . O5 . 108.74(6)    yes
Om25 8_455 Si4 . Om26 . 108.74(10)    yes
O5 8_455 Si4 . Om26 . 108.74(10)    yes
Om25 8_455 Si4 . O6 . 108.74(10)    yes
O5 8_455 Si4 . O6 . 108.74(10)    yes
Om25 8_455 Si4 . Om27 . 110.24(8)    yes
O5 8_455 Si4 . Om27 . 110.24(8)    yes
Om25 8_455 Si4 . O7 . 110.24(8)    yes
O5 8_455 Si4 . O7 . 110.24(8)    yes
Om25 . Si4 . Om26 . 108.75(11)    yes
O5 . Si4 . Om26 . 108.75(11)    yes
Om25 . Si4 . O6 . 108.75(11)    yes
O5 . Si4 . O6 . 108.75(11)    yes
Om25 . Si4 . Om27 . 110.21(8)    yes
O5 . Si4 . Om27 . 110.21(8)    yes
Om25 . Si4 . O7 . 110.21(8)    yes
O5 . Si4 . O7 . 110.21(8)    yes
Om26 . Si4 . Om27 . 110.11(9)    yes
O6 . Si4 . Om27 . 110.11(9)    yes
Om26 . Si4 . O7 . 110.11(9)    yes
O6 . Si4 . O7 . 110.11(9)    yes

