 
data_shelxl
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             'phase-X'
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'K1.50 Mg2 O7 Si2 H0.5'
_chemical_formula_weight          275.94
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'K'  'K'   0.2009   0.2494
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mg'  'Mg'   0.0486   0.0363
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, z+1/2'
 '-y, -x, -z'
 'y, x, -z+1/2'
 'x-y, -y, -z+1/2'
 '-x+y, y, -z'
 'x, x-y, -z'
 '-x, -x+y, -z+1/2'
 '-y, x-y, z'
 'y, -x+y, z+1/2'
 'x-y, x, z+1/2'
 '-x+y, -x, z'
 '-x, -y, -z'
 'x, y, -z-1/2'
 'y, x, z'
 '-y, -x, z-1/2'
 '-x+y, y, z-1/2'
 'x-y, -y, z'
 '-x, -x+y, z'
 'x, x-y, z-1/2'
 'y, -x+y, -z'
 '-y, x-y, -z-1/2'
 '-x+y, -x, -z-1/2'
 'x-y, x, -z'
 
_cell_length_a                    5.0646(2)
_cell_length_b                    5.0646(2)
_cell_length_c                    13.2379(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 120.00
_cell_volume                      294.06(2)
_cell_formula_units_Z             2
_cell_measurement_temperature     298(2) 
_cell_measurement_reflns_used     1462
_cell_measurement_theta_min       3.0714
_cell_measurement_theta_max       32.4466
_cell_oxdiff_length_a             5.0626(3) 
_cell_oxdiff_length_b             5.0647(2) 
_cell_oxdiff_length_c             13.2401(6) 
_cell_oxdiff_angle_alpha          90.023(4) 
_cell_oxdiff_angle_beta           89.968(4) 
_cell_oxdiff_angle_gamma          119.981(6) 
_cell_oxdiff_volume               294.06(3) 
_cell_oxdiff_measurement_reflns_used   1462

_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.1411
_exptl_crystal_size_mid           0.1043
_exptl_crystal_size_min           0.0297
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     3.116
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              274
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
   0    6   10 0.0400 -0.4984  5.5088 10.0071  0.1333  0.5718 -0.8190
   0   -1  -19 0.0476 -0.3764 -0.5034 -19.0128 -0.2414 -0.9963  0.0436
   1   -6   10 0.0447  0.8746 -5.6311 10.0064  0.1043  0.4733  0.8789
  -1    6   -5 0.0501 -0.8741  6.3828 -5.0030 -0.0424 -0.2052 -0.9834
   7   -4   -1 0.0148  7.1377 -3.5067 -0.9995  0.9686 -0.2313  0.1066
  -7    4    1 0.0148 -7.1377  3.5067  0.9995 -0.9686  0.2313 -0.1066
  -7    1    0 0.0270 -6.6377  1.1283 -0.0013 -0.9536  0.1530  0.2396
   6   -6    7 0.0368  6.0098 -5.5078  7.0055  0.8350  0.2030  0.5243
   5    1    6 0.0301  5.1358  1.1259  6.0052  0.8348  0.2102 -0.4865
  -7    3   -5 0.0180 -6.8877  2.6296 -5.0045 -1.0055 -0.0959 -0.0011
_exptl_absorpt_coefficient_mu             1.874
_exptl_absorpt_correction_T_min           0.849
_exptl_absorpt_correction_T_max           0.952
_exptl_absorpt_correction_type            'gaussian'
_exptl_absorpt_process_details 
_exptl_special_details

;
_diffrn_ambient_temperature       298(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   ?
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             4977
_diffrn_reflns_av_R_equivalents   0.0339
_diffrn_reflns_av_sigmaI/netI     0.0108
_diffrn_reflns_limit_h_min        -7
_diffrn_reflns_limit_h_max        7
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_k_max        7
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          3.08
_diffrn_reflns_theta_max          32.52
_reflns_number_total              215
_reflns_number_gt                 201
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)'
_computing_cell_refinement        'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)'
_computing_data_reduction         'CrysAlisPro, Agilent Technologies, Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+0.2971P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          215
_refine_ls_number_parameters      21
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0359
_refine_ls_R_factor_gt            0.0322
_refine_ls_wR_factor_ref          0.0792
_refine_ls_wR_factor_gt           0.0780
_refine_ls_goodness_of_fit_ref    1.467
_refine_ls_restrained_S_all       1.467
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
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_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
K K 0.354(3) 0.644(4) 0.2500 0.0242(19) Uani 0.2472(16) 2 d SP . .
Mg Mg 0.3333 0.6667 0.0000 0.0119(3) Uani 1 6 d S . .
Si Si 0.0000 0.0000 0.12314(7) 0.0079(3) Uani 1 6 d S . .
O1 O 0.0000 0.0000 0.2500 0.0119(8) Uani 1 12 d S . .
O2 O 0.3099(3) 0.0000 0.40998(10) 0.0094(3) Uani 1 2 d S . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
K 0.014(4) 0.026(6) 0.0086(6) 0.000 0.000 -0.0079(18)
Mg 0.0128(4) 0.0128(4) 0.0102(6) 0.000 0.000 0.0064(2)
Si 0.0094(3) 0.0094(3) 0.0047(5) 0.000 0.000 0.00470(17)
O1 0.0157(12) 0.0157(12) 0.0044(15) 0.000 0.000 0.0078(6)
O2 0.0089(5) 0.0106(7) 0.0091(6) 0.000 -0.0009(5) 0.0053(3)
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
K K 0.333(15) 23_566 ?
K K 0.333(15) 9_665 ?
K K 2.539(17) 15 ?
K O2 2.652(6) 19_665 ?
K O2 2.652(6) 8_665 ?
K O2 2.745(10) 4 ?
K O2 2.745(10) 15 ?
K O1 2.829(17) . ?
K K 2.829(15) 5_565 ?
K K 2.829(15) 5_665 ?
K K 2.836(11) 19_665 ?
K K 2.836(11) 19_655 ?
Mg O2 2.1176(10) 16_565 ?
Mg O2 2.1176(10) 14_566 ?
Mg O2 2.1176(10) 2_664 ?
Mg O2 2.1176(10) 20 ?
Mg O2 2.1176(10) 4 ?
Mg O2 2.1176(10) 8_665 ?
Mg Mg 2.92405(12) 13_675 ?
Mg Mg 2.92405(12) 13_565 ?
Mg Mg 2.92405(11) 13_665 ?
Mg K 3.3151(5) 17 ?
Mg K 3.3151(5) 9_665 ?
Mg K 3.3151(5) 7_565 ?
Si O2 1.6296(15) 8 ?
Si O2 1.6296(15) 4 ?
Si O2 1.6296(15) 14_556 ?
Si O1 1.6793(9) . ?
Si K 3.290(14) 15 ?
Si K 3.290(14) 9 ?
Si K 3.290(14) 5 ?
Si K 3.290(14) 23_556 ?
Si K 3.290(14) 19 ?
Si K 3.296(11) 23_566 ?
Si K 3.296(11) 19_655 ?
O1 Si 1.6793(9) 14_556 ?
O1 K 2.829(17) 15 ?
O1 K 2.829(17) 9 ?
O1 K 2.829(17) 5 ?
O1 K 2.829(17) 23_556 ?
O1 K 2.829(17) 19 ?
O1 K 2.836(13) 1_445 ?
O1 K 2.836(13) 15_445 ?
O1 K 2.836(13) 23_566 ?
O1 K 2.836(13) 19_655 ?
O2 Si 1.6296(15) 14_556 ?
O2 Mg 2.1176(10) 2_665 ?
O2 Mg 2.1176(10) 14_546 ?
O2 K 2.652(6) 9_655 ?
O2 K 2.652(6) 19_655 ?
O2 K 2.745(10) 23_556 ?
O2 K 2.745(10) 15 ?
O2 K 2.863(8) 1_545 ?
O2 K 2.863(8) 5_665 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
K K K 60.000(10) 23_566 9_665 ?
K K K 151(5) 23_566 15 ?
K K K 149(5) 9_665 15 ?
K K O2 126.5(5) 23_566 19_665 ?
K K O2 103(3) 9_665 19_665 ?
K K O2 61.4(2) 15 19_665 ?
K K O2 126.5(5) 23_566 8_665 ?
K K O2 103(3) 9_665 8_665 ?
K K O2 61.4(2) 15 8_665 ?
O2 K O2 106.0(3) 19_665 8_665 ?
K K O2 70(3) 23_566 4 ?
K K O2 108(3) 9_665 4 ?
K K O2 91.87(18) 15 4 ?
O2 K O2 149.7(5) 19_665 4 ?
O2 K O2 68.35(11) 8_665 4 ?
K K O2 70(3) 23_566 15 ?
K K O2 108(3) 9_665 15 ?
K K O2 91.87(18) 15 15 ?
O2 K O2 68.35(11) 19_665 15 ?
O2 K O2 149.7(5) 8_665 15 ?
O2 K O2 101.0(5) 4 15 ?
K K O1 88(5) 23_566 . ?
K K O1 148(5) 9_665 . ?
K K O1 63.34(16) 15 . ?
O2 K O1 96.4(3) 19_665 . ?
O2 K O1 96.4(3) 8_665 . ?
O2 K O1 56.4(3) 4 . ?
O2 K O1 56.4(3) 15 . ?
K K K 28(4) 23_566 5_565 ?
K K K 88(4) 9_665 5_565 ?
K K K 123.5(6) 15 5_565 ?
O2 K K 124.6(4) 19_665 5_565 ?
O2 K K 124.6(4) 8_665 5_565 ?
O2 K K 56.8(4) 4 5_565 ?
O2 K K 56.8(4) 15 5_565 ?
O1 K K 60.2(7) . 5_565 ?
K K K 155(5) 23_566 5_665 ?
K K K 145(5) 9_665 5_665 ?
K K K 3.5(6) 15 5_665 ?
O2 K K 59.99(14) 19_665 5_665 ?
O2 K K 59.99(14) 8_665 5_665 ?
O2 K K 94.1(5) 4 5_665 ?
O2 K K 94.1(5) 15 5_665 ?
O1 K K 66.8(6) . 5_665 ?
K K K 127.0(12) 5_565 5_665 ?
K K K 86(4) 23_566 19_665 ?
K K K 26(4) 9_665 19_665 ?
K K K 123.2(5) 15 19_665 ?
O2 K K 87.6(6) 19_665 19_665 ?
O2 K K 87.6(6) 8_665 19_665 ?
O2 K K 120.89(18) 4 19_665 ?
O2 K K 120.89(18) 15 19_665 ?
O1 K K 173.4(6) . 19_665 ?
K K K 113.3(3) 5_565 19_665 ?
K K K 119.7(10) 5_665 19_665 ?
K K K 148(5) 23_566 19_655 ?
K K K 152(5) 9_665 19_655 ?
K K K 3.2(5) 15 19_655 ?
O2 K K 62.8(2) 19_665 19_655 ?
O2 K K 62.8(2) 8_665 19_655 ?
O2 K K 89.8(4) 4 19_655 ?
O2 K K 89.8(4) 15 19_655 ?
O1 K K 60.1(4) . 19_655 ?
K K K 120.3(10) 5_565 19_655 ?
K K K 6.7(3) 5_665 19_655 ?
K K K 126.5(9) 19_665 19_655 ?
O2 Mg O2 84.72(8) 16_565 14_566 ?
O2 Mg O2 91.43(5) 16_565 2_664 ?
O2 Mg O2 92.68(5) 14_566 2_664 ?
O2 Mg O2 91.43(5) 16_565 20 ?
O2 Mg O2 174.44(7) 14_566 20 ?
O2 Mg O2 91.43(5) 2_664 20 ?
O2 Mg O2 92.68(5) 16_565 4 ?
O2 Mg O2 91.43(5) 14_566 4 ?
O2 Mg O2 174.44(7) 2_664 4 ?
O2 Mg O2 84.72(8) 20 4 ?
O2 Mg O2 174.44(7) 16_565 8_665 ?
O2 Mg O2 91.43(5) 14_566 8_665 ?
O2 Mg O2 84.72(8) 2_664 8_665 ?
O2 Mg O2 92.68(5) 20 8_665 ?
O2 Mg O2 91.43(5) 4 8_665 ?
O2 Mg Mg 87.22(3) 16_565 13_675 ?
O2 Mg Mg 46.34(3) 14_566 13_675 ?
O2 Mg Mg 46.34(3) 2_664 13_675 ?
O2 Mg Mg 137.64(4) 20 13_675 ?
O2 Mg Mg 137.64(4) 4 13_675 ?
O2 Mg Mg 87.22(3) 8_665 13_675 ?
O2 Mg Mg 46.34(3) 16_565 13_565 ?
O2 Mg Mg 87.22(3) 14_566 13_565 ?
O2 Mg Mg 137.64(4) 2_664 13_565 ?
O2 Mg Mg 87.22(3) 20 13_565 ?
O2 Mg Mg 46.34(3) 4 13_565 ?
O2 Mg Mg 137.64(4) 8_665 13_565 ?
Mg Mg Mg 120.0 13_675 13_565 ?
O2 Mg Mg 137.64(4) 16_565 13_665 ?
O2 Mg Mg 137.64(4) 14_566 13_665 ?
O2 Mg Mg 87.22(3) 2_664 13_665 ?
O2 Mg Mg 46.34(3) 20 13_665 ?
O2 Mg Mg 87.22(3) 4 13_665 ?
O2 Mg Mg 46.34(3) 8_665 13_665 ?
Mg Mg Mg 120.0 13_675 13_665 ?
Mg Mg Mg 120.0 13_565 13_665 ?
O2 Mg K 53.04(16) 16_565 17 ?
O2 Mg K 124.1(3) 14_566 17 ?
O2 Mg K 58.8(2) 2_664 17 ?
O2 Mg K 55.6(3) 20 17 ?
O2 Mg K 121.4(2) 4 17 ?
O2 Mg K 127.17(14) 8_665 17 ?
Mg Mg K 91.7(3) 13_675 17 ?
Mg Mg K 86.67(15) 13_565 17 ?
Mg Mg K 91.6(2) 13_665 17 ?
O2 Mg K 124.1(3) 16_565 9_665 ?
O2 Mg K 53.04(16) 14_566 9_665 ?
O2 Mg K 121.4(2) 2_664 9_665 ?
O2 Mg K 127.17(14) 20 9_665 ?
O2 Mg K 58.8(2) 4 9_665 ?
O2 Mg K 55.6(3) 8_665 9_665 ?
Mg Mg K 86.67(15) 13_675 9_665 ?
Mg Mg K 91.7(3) 13_565 9_665 ?
Mg Mg K 91.6(2) 13_665 9_665 ?
K Mg K 176.8(4) 17 9_665 ?
O2 Mg K 55.6(3) 16_565 7_565 ?
O2 Mg K 121.4(2) 14_566 7_565 ?
O2 Mg K 53.04(16) 2_664 7_565 ?
O2 Mg K 58.8(2) 20 7_565 ?
O2 Mg K 127.17(14) 4 7_565 ?
O2 Mg K 124.1(3) 8_665 7_565 ?
Mg Mg K 86.67(15) 13_675 7_565 ?
Mg Mg K 91.6(2) 13_565 7_565 ?
Mg Mg K 91.7(3) 13_665 7_565 ?
K Mg K 5.8(3) 17 7_565 ?
K Mg K 173.3(3) 9_665 7_565 ?
O2 Si O2 113.04(5) 8 4 ?
O2 Si O2 113.04(5) 8 14_556 ?
O2 Si O2 113.04(5) 4 14_556 ?
O2 Si O1 105.61(6) 8 . ?
O2 Si O1 105.61(6) 4 . ?
O2 Si O1 105.61(6) 14_556 . ?
O2 Si K 151.34(16) 8 15 ?
O2 Si K 95.12(15) 4 15 ?
O2 Si K 56.32(13) 14_556 15 ?
O1 Si K 59.31(15) . 15 ?
O2 Si K 151.34(16) 8 . ?
O2 Si K 56.32(13) 4 . ?
O2 Si K 95.12(15) 14_556 . ?
O1 Si K 59.31(15) . . ?
K Si K 45.4(3) 15 . ?
O2 Si K 56.32(13) 8 9 ?
O2 Si K 95.12(15) 4 9 ?
O2 Si K 151.34(16) 14_556 9 ?
O1 Si K 59.31(15) . 9 ?
K Si K 118.3(3) 15 9 ?
K Si K 96.27(19) . 9 ?
O2 Si K 56.32(13) 8 5 ?
O2 Si K 151.34(16) 4 5 ?
O2 Si K 95.12(15) 14_556 5 ?
O1 Si K 59.31(15) . 5 ?
K Si K 96.3(2) 15 5 ?
K Si K 118.3(3) . 5 ?
K Si K 56.4(3) 9 5 ?
O2 Si K 95.12(15) 8 23_556 ?
O2 Si K 151.34(16) 4 23_556 ?
O2 Si K 56.32(13) 14_556 23_556 ?
O1 Si K 59.31(15) . 23_556 ?
K Si K 56.4(3) 15 23_556 ?
K Si K 96.3(2) . 23_556 ?
K Si K 96.27(19) 9 23_556 ?
K Si K 45.4(3) 5 23_556 ?
O2 Si K 95.12(15) 8 19 ?
O2 Si K 56.32(13) 4 19 ?
O2 Si K 151.34(16) 14_556 19 ?
O1 Si K 59.31(15) . 19 ?
K Si K 96.3(2) 15 19 ?
K Si K 56.4(3) . 19 ?
K Si K 45.4(3) 9 19 ?
K Si K 96.3(2) 5 19 ?
K Si K 118.3(3) 23_556 19 ?
O2 Si K 145.98(19) 8 23_566 ?
O2 Si K 52.8(2) 4 23_566 ?
O2 Si K 100.7(2) 14_556 23_566 ?
O1 Si K 59.37(12) . 23_566 ?
K Si K 51.0(2) 15 23_566 ?
K Si K 5.8(3) . 23_566 ?
K Si K 91.8(3) 9 23_566 ?
K Si K 118.68(7) 5 23_566 ?
K Si K 100.52(14) 23_556 23_566 ?
K Si K 50.9(3) 19 23_566 ?
O2 Si K 145.98(19) 8 19_655 ?
O2 Si K 100.7(2) 4 19_655 ?
O2 Si K 52.8(2) 14_556 19_655 ?
O1 Si K 59.37(12) . 19_655 ?
K Si K 5.8(3) 15 19_655 ?
K Si K 51.0(2) . 19_655 ?
K Si K 118.68(7) 9 19_655 ?
K Si K 91.8(3) 5 19_655 ?
K Si K 50.9(3) 23_556 19_655 ?
K Si K 100.52(14) 19 19_655 ?
K Si K 56.6(5) 23_566 19_655 ?
Si O1 Si 180.0 14_556 . ?
Si O1 K 90.000(5) 14_556 15 ?
Si O1 K 90.000(4) . 15 ?
Si O1 K 90.000(5) 14_556 . ?
Si O1 K 90.000(4) . . ?
K O1 K 53.3(3) 15 . ?
Si O1 K 90.000(3) 14_556 9 ?
Si O1 K 90.000(3) . 9 ?
K O1 K 173.3(3) 15 9 ?
K O1 K 120.0 . 9 ?
Si O1 K 90.000(3) 14_556 5 ?
Si O1 K 90.000(3) . 5 ?
K O1 K 120.0 15 5 ?
K O1 K 173.3(3) . 5 ?
K O1 K 66.7(3) 9 5 ?
Si O1 K 90.0 14_556 23_556 ?
Si O1 K 90.0 . 23_556 ?
K O1 K 66.7(3) 15 23_556 ?
K O1 K 120.000(2) . 23_556 ?
K O1 K 120.000(2) 9 23_556 ?
K O1 K 53.3(3) 5 23_556 ?
Si O1 K 90.0 14_556 19 ?
Si O1 K 90.0 . 19 ?
K O1 K 120.000(2) 15 19 ?
K O1 K 66.7(3) . 19 ?
K O1 K 53.3(3) 9 19 ?
K O1 K 120.000(2) 5 19 ?
K O1 K 173.3(3) 23_556 19 ?
Si O1 K 90.000(4) 14_556 1_445 ?
Si O1 K 90.000(4) . 1_445 ?
K O1 K 179.9(3) 15 1_445 ?
K O1 K 126.7(3) . 1_445 ?
K O1 K 6.7(3) 9 1_445 ?
K O1 K 59.9(3) 5 1_445 ?
K O1 K 113.3(3) 23_556 1_445 ?
K O1 K 60.1(3) 19 1_445 ?
Si O1 K 90.000(4) 14_556 15_445 ?
Si O1 K 90.000(4) . 15_445 ?
K O1 K 126.7(3) 15 15_445 ?
K O1 K 179.9(3) . 15_445 ?
K O1 K 59.9(3) 9 15_445 ?
K O1 K 6.7(3) 5 15_445 ?
K O1 K 60.1(3) 23_556 15_445 ?
K O1 K 113.3(3) 19 15_445 ?
K O1 K 53.2(5) 1_445 15_445 ?
Si O1 K 90.000(2) 14_556 23_566 ?
Si O1 K 90.000(2) . 23_566 ?
K O1 K 60.1(3) 15 23_566 ?
K O1 K 6.7(3) . 23_566 ?
K O1 K 113.3(3) 9 23_566 ?
K O1 K 179.9(3) 5 23_566 ?
K O1 K 126.7(3) 23_556 23_566 ?
K O1 K 59.9(3) 19 23_566 ?
K O1 K 120.000(1) 1_445 23_566 ?
K O1 K 173.2(5) 15_445 23_566 ?
Si O1 K 90.000(2) 14_556 19_655 ?
Si O1 K 90.000(2) . 19_655 ?
K O1 K 6.7(3) 15 19_655 ?
K O1 K 60.1(3) . 19_655 ?
K O1 K 179.9(3) 9 19_655 ?
K O1 K 113.3(3) 5 19_655 ?
K O1 K 59.9(3) 23_556 19_655 ?
K O1 K 126.7(3) 19 19_655 ?
K O1 K 173.2(5) 1_445 19_655 ?
K O1 K 120.0 15_445 19_655 ?
K O1 K 66.8(5) 23_566 19_655 ?
Si O2 Mg 126.11(5) 14_556 2_665 ?
Si O2 Mg 126.11(5) 14_556 14_546 ?
Mg O2 Mg 87.32(5) 2_665 14_546 ?
Si O2 K 97.8(3) 14_556 9_655 ?
Mg O2 K 127.9(4) 2_665 9_655 ?
Mg O2 K 87.31(15) 14_546 9_655 ?
Si O2 K 97.8(3) 14_556 19_655 ?
Mg O2 K 87.31(16) 2_665 19_655 ?
Mg O2 K 127.9(4) 14_546 19_655 ?
K O2 K 57.2(4) 9_655 19_655 ?
Si O2 K 94.1(3) 14_556 23_556 ?
Mg O2 K 133.9(2) 2_665 23_556 ?
Mg O2 K 84.9(3) 14_546 23_556 ?
K O2 K 6.8(4) 9_655 23_556 ?
K O2 K 63.2(3) 19_655 23_556 ?
Si O2 K 94.1(3) 14_556 15 ?
Mg O2 K 84.9(3) 2_665 15 ?
Mg O2 K 133.9(2) 14_546 15 ?
K O2 K 63.2(3) 9_655 15 ?
K O2 K 6.8(4) 19_655 15 ?
K O2 K 69.0(4) 23_556 15 ?
Si O2 K 100.38(17) 14_556 1_545 ?
Mg O2 K 127.9(3) 2_665 1_545 ?
Mg O2 K 81.99(19) 14_546 1_545 ?
K O2 K 5.4(3) 9_655 1_545 ?
K O2 K 61.76(17) 19_655 1_545 ?
K O2 K 6.4(3) 23_556 1_545 ?
K O2 K 67.9(2) 15 1_545 ?
Si O2 K 100.38(17) 14_556 5_665 ?
Mg O2 K 82.0(2) 2_665 5_665 ?
Mg O2 K 127.9(3) 14_546 5_665 ?
K O2 K 61.76(17) 9_655 5_665 ?
K O2 K 5.4(3) 19_655 5_665 ?
K O2 K 67.9(2) 23_556 5_665 ?
K O2 K 6.4(3) 15 5_665 ?
K O2 K 66.1(6) 1_545 5_665 ?
 
_diffrn_measured_fraction_theta_max    0.973
_diffrn_reflns_theta_full              30.00
_diffrn_measured_fraction_theta_full   1.000
_refine_diff_density_max    0.258
_refine_diff_density_min   -0.341
_refine_diff_density_rms    0.077
