 
data_ig_goosb_heating1_0m 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'H10 Al2 Ca O21 Si6' 
_chemical_formula_weight          608.66 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Al'  'Al'   0.0645   0.0514 
 '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' 
 'Ca'  'Ca'   0.2262   0.3064 
 '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+1/2, -z' 
 
_cell_length_a                    7.2799(2) 
_cell_length_b                    17.0244(4) 
_cell_length_c                    7.4707(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  107.0370(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      885.26(4) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.142 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              308 
_exptl_absorpt_coefficient_mu     0.485 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       173(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_reflns_number             13114 
_diffrn_reflns_av_R_equivalents   0.0339 
_diffrn_reflns_av_sigmaI/netI     0.0497 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -25 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        10 
_diffrn_reflns_theta_min          2.39 
_diffrn_reflns_theta_max          32.59 
_reflns_number_total              5909 
_reflns_number_gt                 5487 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_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^)+(0.0511P)^2^+0.0000P] 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_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.05(4) 
_refine_ls_number_reflns          5909 
_refine_ls_number_parameters      263 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0397 
_refine_ls_R_factor_gt            0.0359 
_refine_ls_wR_factor_ref          0.0965 
_refine_ls_wR_factor_gt           0.0947 
_refine_ls_goodness_of_fit_ref    1.121 
_refine_ls_restrained_S_all       1.121 
_refine_ls_shift/su_max           2.848 
_refine_ls_shift/su_mean          0.011 
 
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 
Ca1 Ca 0.68011(8) 0.25389(4) 0.15827(8) 0.01593(12) Uani 1 1 d . . . 
Si1 Si 0.37001(11) 0.46345(5) 0.60839(10) 0.00968(14) Uani 1 1 d . . . 
Si2 Si 0.32959(11) 0.13613(5) 0.59629(10) 0.00954(14) Uani 1 1 d . . . 
Si3 Si 0.01756(10) 0.26453(5) 0.51673(10) 0.00938(14) Uani 1 1 d . . . 
Si4 Si 0.12797(11) 0.04981(5) 0.84198(10) 0.01009(14) Uani 1 1 d . . . 
Si5 Si 0.11027(11) 0.39518(5) 0.81937(10) 0.00971(14) Uani 1 1 d . . . 
Si6 Si 0.21953(11) 0.02095(5) 0.25719(10) 0.01032(14) Uani 1 1 d . . . 
Al1 Al 0.75517(12) 0.12655(5) 0.57199(12) 0.00944(15) Uani 1 1 d . . . 
Al2 Al 0.09180(12) 0.38930(5) 0.23871(11) 0.00909(15) Uani 1 1 d . . . 
O1 O 0.7007(3) 0.05319(13) 0.4048(3) 0.0142(4) Uani 1 1 d . . . 
O2 O 0.5531(3) 0.15424(13) 0.6337(3) 0.0141(4) Uani 1 1 d . . . 
O3 O 0.8318(3) 0.20673(13) 0.4698(3) 0.0120(4) Uani 1 1 d . . . 
O4 O 0.9327(3) 0.09969(14) 0.7725(3) 0.0146(4) Uani 1 1 d . . . 
O5 O 0.3086(3) 0.41785(13) 0.7731(3) 0.0134(4) Uani 1 1 d . . . 
O6 O 0.2968(3) 0.41864(13) 0.4115(3) 0.0136(4) Uani 1 1 d . . . 
O7 O 0.6050(3) 0.45981(14) 0.6734(3) 0.0153(4) Uani 1 1 d . . . 
O8 O 0.2190(3) 0.21819(14) 0.5946(3) 0.0152(4) Uani 1 1 d . . . 
O9 O 0.2954(3) 0.08007(15) 0.7574(3) 0.0175(4) Uani 1 1 d . . . 
O10 O 0.2344(3) 0.09167(15) 0.4013(3) 0.0197(5) Uani 1 1 d . . . 
O11 O 0.0038(3) 0.32716(14) 0.6754(3) 0.0162(4) Uani 1 1 d . . . 
O12 O 0.9981(3) 0.30599(13) 0.3153(3) 0.0120(4) Uani 1 1 d . . . 
O13 O 0.9090(3) 0.45813(13) 0.1994(3) 0.0148(4) Uani 1 1 d . . . 
O14 O 0.2212(3) 0.06463(14) 0.0657(3) 0.0157(4) Uani 1 1 d . . . 
O15 O 0.1477(3) 0.36766(14) 0.0333(3) 0.0145(4) Uani 1 1 d . . . 
O16 O 0.9796(3) 0.47415(13) 0.7764(3) 0.0156(4) Uani 1 1 d . . . 
W1 O 0.3605(4) 0.22395(17) 0.1206(4) 0.0266(5) Uani 1 1 d . . . 
W21 O 0.6556(5) 0.29327(19) 0.8545(4) 0.0342(9) Uani 1.000(11) 1 d . . . 
W43 O 0.7673(4) 0.13092(17) 0.0786(4) 0.0304(6) Uani 1 1 d . . . 
W51 O 0.6020(4) 0.37488(15) 0.2613(4) 0.0252(5) Uani 1 1 d . . . 
 
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 
Ca1 0.0150(3) 0.0153(3) 0.0160(2) -0.0004(2) 0.0022(2) -0.0003(2) 
Si1 0.0104(3) 0.0079(3) 0.0107(3) 0.0002(3) 0.0030(2) -0.0004(2) 
Si2 0.0099(3) 0.0075(3) 0.0116(3) -0.0001(3) 0.0036(2) 0.0001(3) 
Si3 0.0104(3) 0.0062(3) 0.0119(3) 0.0002(3) 0.0038(2) 0.0000(3) 
Si4 0.0106(3) 0.0084(4) 0.0115(3) 0.0008(3) 0.0035(3) -0.0007(3) 
Si5 0.0111(3) 0.0078(3) 0.0108(3) 0.0002(3) 0.0042(2) 0.0011(3) 
Si6 0.0108(3) 0.0088(3) 0.0116(3) -0.0011(3) 0.0036(3) -0.0019(3) 
Al1 0.0093(4) 0.0065(4) 0.0129(3) -0.0002(3) 0.0040(3) -0.0009(3) 
Al2 0.0097(4) 0.0066(4) 0.0109(3) 0.0005(3) 0.0030(3) -0.0003(3) 
O1 0.0179(10) 0.0084(10) 0.0168(9) -0.0017(8) 0.0059(8) -0.0034(8) 
O2 0.0118(9) 0.0139(10) 0.0172(9) -0.0005(8) 0.0050(7) -0.0009(7) 
O3 0.0143(9) 0.0086(10) 0.0134(9) 0.0010(7) 0.0046(7) -0.0015(7) 
O4 0.0138(10) 0.0128(10) 0.0164(9) 0.0008(8) 0.0030(7) 0.0030(7) 
O5 0.0121(9) 0.0136(10) 0.0156(9) 0.0036(8) 0.0056(7) -0.0001(7) 
O6 0.0132(9) 0.0141(10) 0.0126(8) -0.0015(8) 0.0022(7) -0.0002(8) 
O7 0.0086(9) 0.0157(11) 0.0207(10) -0.0050(8) 0.0030(7) -0.0011(8) 
O8 0.0139(9) 0.0103(10) 0.0209(10) -0.0014(8) 0.0047(8) 0.0023(8) 
O9 0.0176(10) 0.0150(11) 0.0231(11) 0.0057(8) 0.0108(9) -0.0012(8) 
O10 0.0227(12) 0.0153(12) 0.0216(11) -0.0080(9) 0.0073(9) -0.0021(9) 
O11 0.0167(10) 0.0142(11) 0.0177(9) -0.0041(8) 0.0051(8) -0.0006(8) 
O12 0.0135(9) 0.0097(10) 0.0126(8) 0.0005(7) 0.0033(7) -0.0029(7) 
O13 0.0138(9) 0.0084(10) 0.0231(10) -0.0003(8) 0.0067(8) 0.0009(7) 
O14 0.0178(10) 0.0153(11) 0.0120(9) 0.0021(8) 0.0011(7) -0.0047(8) 
O15 0.0166(10) 0.0121(10) 0.0157(9) 0.0007(8) 0.0063(7) 0.0007(8) 
O16 0.0128(10) 0.0121(11) 0.0221(10) -0.0001(8) 0.0054(8) 0.0029(7) 
W1 0.0196(11) 0.0187(12) 0.0411(14) 0.0013(11) 0.0084(10) -0.0006(10) 
W21 0.0467(19) 0.0282(17) 0.0248(13) 0.0055(12) 0.0058(12) 0.0010(13) 
W43 0.0494(17) 0.0202(13) 0.0252(12) 0.0037(11) 0.0167(11) 0.0133(12) 
W51 0.0231(12) 0.0153(12) 0.0424(14) -0.0084(11) 0.0177(10) -0.0037(9) 
 
_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 
Ca1 W43 2.315(3) . ? 
Ca1 W1 2.317(3) . ? 
Ca1 W21 2.323(3) 1_554 ? 
Ca1 W51 2.327(3) . ? 
Ca1 O3 2.403(2) . ? 
Ca1 O12 2.435(2) . ? 
Ca1 Si3 3.0633(9) 1_655 ? 
Ca1 Al1 3.6826(10) . ? 
Ca1 Al2 3.6880(10) 1_655 ? 
Si1 O6 1.603(2) . ? 
Si1 O1 1.606(2) 2_656 ? 
Si1 O5 1.625(2) . ? 
Si1 O7 1.637(2) . ? 
Si2 O2 1.598(2) . ? 
Si2 O10 1.607(2) . ? 
Si2 O8 1.611(2) . ? 
Si2 O9 1.611(2) . ? 
Si3 O8 1.616(2) . ? 
Si3 O11 1.619(2) . ? 
Si3 O3 1.626(2) 1_455 ? 
Si3 O12 1.630(2) 1_455 ? 
Si3 Ca1 3.0634(9) 1_455 ? 
Si4 O13 1.599(2) 2_646 ? 
Si4 O4 1.606(2) 1_455 ? 
Si4 O9 1.613(2) . ? 
Si4 O14 1.629(2) 1_556 ? 
Si5 O15 1.610(2) 1_556 ? 
Si5 O11 1.615(2) . ? 
Si5 O16 1.624(2) 1_455 ? 
Si5 O5 1.626(2) . ? 
Si6 O10 1.598(2) . ? 
Si6 O16 1.608(2) 2_646 ? 
Si6 O7 1.611(2) 2_646 ? 
Si6 O14 1.616(2) . ? 
Al1 O1 1.728(2) . ? 
Al1 O4 1.729(2) . ? 
Al1 O2 1.731(2) . ? 
Al1 O3 1.734(2) . ? 
Al2 O13 1.733(2) 1_455 ? 
Al2 O6 1.736(2) . ? 
Al2 O15 1.738(2) . ? 
Al2 O12 1.742(2) 1_455 ? 
Al2 Ca1 3.6881(10) 1_455 ? 
O1 Si1 1.606(2) 2_646 ? 
O3 Si3 1.626(2) 1_655 ? 
O4 Si4 1.606(2) 1_655 ? 
O7 Si6 1.611(2) 2_656 ? 
O12 Si3 1.630(2) 1_655 ? 
O12 Al2 1.742(2) 1_655 ? 
O13 Si4 1.599(2) 2_656 ? 
O13 Al2 1.733(2) 1_655 ? 
O14 Si4 1.629(2) 1_554 ? 
O15 Si5 1.610(2) 1_554 ? 
O16 Si6 1.608(2) 2_656 ? 
O16 Si5 1.624(2) 1_655 ? 
W21 Ca1 2.323(3) 1_556 ? 
 
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 
W43 Ca1 W1 96.37(11) . . ? 
W43 Ca1 W21 87.60(10) . 1_554 ? 
W1 Ca1 W21 99.08(10) . 1_554 ? 
W43 Ca1 W51 175.78(10) . . ? 
W1 Ca1 W51 84.32(9) . . ? 
W21 Ca1 W51 96.41(11) 1_554 . ? 
W43 Ca1 O3 82.19(9) . . ? 
W1 Ca1 O3 101.79(9) . . ? 
W21 Ca1 O3 157.63(10) 1_554 . ? 
W51 Ca1 O3 93.60(9) . . ? 
W43 Ca1 O12 99.19(10) . . ? 
W1 Ca1 O12 156.58(9) . . ? 
W21 Ca1 O12 98.95(10) 1_554 . ? 
W51 Ca1 O12 78.93(8) . . ? 
O3 Ca1 O12 63.45(7) . . ? 
W43 Ca1 Si3 93.90(8) . 1_655 ? 
W1 Ca1 Si3 129.70(7) . 1_655 ? 
W21 Ca1 Si3 130.50(9) 1_554 1_655 ? 
W51 Ca1 Si3 82.50(7) . 1_655 ? 
O3 Ca1 Si3 31.78(5) . 1_655 ? 
O12 Ca1 Si3 31.97(5) . 1_655 ? 
W43 Ca1 Al1 72.48(7) . . ? 
W1 Ca1 Al1 82.49(7) . . ? 
W21 Ca1 Al1 160.05(9) 1_554 . ? 
W51 Ca1 Al1 103.53(7) . . ? 
O3 Ca1 Al1 22.68(5) . . ? 
O12 Ca1 Al1 85.62(5) . . ? 
Si3 Ca1 Al1 54.36(2) 1_655 . ? 
W43 Ca1 Al2 109.64(8) . 1_655 ? 
W1 Ca1 Al2 153.69(8) . 1_655 ? 
W21 Ca1 Al2 78.75(8) 1_554 1_655 ? 
W51 Ca1 Al2 70.03(6) . 1_655 ? 
O3 Ca1 Al2 86.00(5) . 1_655 ? 
O12 Ca1 Al2 23.29(5) . 1_655 ? 
Si3 Ca1 Al2 54.22(2) 1_655 1_655 ? 
Al1 Ca1 Al2 108.51(2) . 1_655 ? 
O6 Si1 O1 112.46(12) . 2_656 ? 
O6 Si1 O5 112.12(12) . . ? 
O1 Si1 O5 110.28(12) 2_656 . ? 
O6 Si1 O7 106.96(11) . . ? 
O1 Si1 O7 110.04(12) 2_656 . ? 
O5 Si1 O7 104.64(12) . . ? 
O2 Si2 O10 113.33(12) . . ? 
O2 Si2 O8 108.37(12) . . ? 
O10 Si2 O8 108.63(12) . . ? 
O2 Si2 O9 110.82(12) . . ? 
O10 Si2 O9 106.13(13) . . ? 
O8 Si2 O9 109.48(13) . . ? 
O8 Si3 O11 107.59(12) . . ? 
O8 Si3 O3 113.07(12) . 1_455 ? 
O11 Si3 O3 109.30(12) . 1_455 ? 
O8 Si3 O12 111.60(12) . 1_455 ? 
O11 Si3 O12 112.55(12) . 1_455 ? 
O3 Si3 O12 102.78(11) 1_455 1_455 ? 
O8 Si3 Ca1 134.14(8) . 1_455 ? 
O11 Si3 Ca1 118.25(9) . 1_455 ? 
O3 Si3 Ca1 51.12(7) 1_455 1_455 ? 
O12 Si3 Ca1 52.27(7) 1_455 1_455 ? 
O13 Si4 O4 111.78(12) 2_646 1_455 ? 
O13 Si4 O9 109.84(13) 2_646 . ? 
O4 Si4 O9 113.80(13) 1_455 . ? 
O13 Si4 O14 110.22(12) 2_646 1_556 ? 
O4 Si4 O14 108.24(12) 1_455 1_556 ? 
O9 Si4 O14 102.53(12) . 1_556 ? 
O15 Si5 O11 111.15(12) 1_556 . ? 
O15 Si5 O16 110.86(12) 1_556 1_455 ? 
O11 Si5 O16 108.85(12) . 1_455 ? 
O15 Si5 O5 112.17(12) 1_556 . ? 
O11 Si5 O5 108.14(12) . . ? 
O16 Si5 O5 105.46(12) 1_455 . ? 
O10 Si6 O16 111.00(12) . 2_646 ? 
O10 Si6 O7 112.28(13) . 2_646 ? 
O16 Si6 O7 108.89(12) 2_646 2_646 ? 
O10 Si6 O14 103.50(13) . . ? 
O16 Si6 O14 109.29(12) 2_646 . ? 
O7 Si6 O14 111.79(12) 2_646 . ? 
O1 Al1 O4 112.96(12) . . ? 
O1 Al1 O2 110.88(11) . . ? 
O4 Al1 O2 108.60(11) . . ? 
O1 Al1 O3 106.62(11) . . ? 
O4 Al1 O3 109.54(11) . . ? 
O2 Al1 O3 108.12(11) . . ? 
O1 Al1 Ca1 82.68(8) . . ? 
O4 Al1 Ca1 140.57(8) . . ? 
O2 Al1 Ca1 97.74(8) . . ? 
O3 Al1 Ca1 32.31(7) . . ? 
O13 Al2 O6 112.45(11) 1_455 . ? 
O13 Al2 O15 111.13(11) 1_455 . ? 
O6 Al2 O15 110.16(11) . . ? 
O13 Al2 O12 104.53(11) 1_455 1_455 ? 
O6 Al2 O12 108.93(11) . 1_455 ? 
O15 Al2 O12 109.45(11) . 1_455 ? 
O13 Al2 Ca1 81.25(8) 1_455 1_455 ? 
O6 Al2 Ca1 141.40(8) . 1_455 ? 
O15 Al2 Ca1 96.48(8) . 1_455 ? 
O12 Al2 Ca1 33.55(7) 1_455 1_455 ? 
Si1 O1 Al1 137.16(14) 2_646 . ? 
Si2 O2 Al1 143.32(14) . . ? 
Si3 O3 Al1 137.42(13) 1_655 . ? 
Si3 O3 Ca1 97.10(10) 1_655 . ? 
Al1 O3 Ca1 125.00(11) . . ? 
Si4 O4 Al1 141.81(15) 1_655 . ? 
Si1 O5 Si5 137.11(14) . . ? 
Si1 O6 Al2 143.24(14) . . ? 
Si6 O7 Si1 137.07(15) 2_656 . ? 
Si2 O8 Si3 145.61(15) . . ? 
Si2 O9 Si4 141.40(17) . . ? 
Si6 O10 Si2 153.10(18) . . ? 
Si5 O11 Si3 147.04(15) . . ? 
Si3 O12 Al2 136.00(13) 1_655 1_655 ? 
Si3 O12 Ca1 95.77(9) 1_655 . ? 
Al2 O12 Ca1 123.16(10) 1_655 . ? 
Si4 O13 Al2 140.39(14) 2_656 1_655 ? 
Si6 O14 Si4 136.74(15) . 1_554 ? 
Si5 O15 Al2 143.07(15) 1_554 . ? 
Si6 O16 Si5 152.88(16) 2_656 1_655 ? 
 
_diffrn_measured_fraction_theta_max    0.970 
_diffrn_reflns_theta_full              32.59 
_diffrn_measured_fraction_theta_full   0.970 
_refine_diff_density_max    0.614 
_refine_diff_density_min   -0.618 
_refine_diff_density_rms    0.119 
