 
data_ig_goosb_hta_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                    7.2840(2) 
_cell_length_b                    17.1073(4) 
_cell_length_c                    7.4639(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  106.6770(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      890.95(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     1.134 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              308 
_exptl_absorpt_coefficient_mu     0.482 
_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             13407 
_diffrn_reflns_av_R_equivalents   0.0397 
_diffrn_reflns_av_sigmaI/netI     0.0597 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -25 
_diffrn_reflns_limit_k_max        25 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          2.85 
_diffrn_reflns_theta_max          32.32 
_reflns_number_total              6050 
_reflns_number_gt                 5517 
_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^)+(0.0593P)^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    0.21(5) 
_refine_ls_number_reflns          6050 
_refine_ls_number_parameters      273 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0475 
_refine_ls_R_factor_gt            0.0422 
_refine_ls_wR_factor_ref          0.1149 
_refine_ls_wR_factor_gt           0.1116 
_refine_ls_goodness_of_fit_ref    1.129 
_refine_ls_restrained_S_all       1.129 
_refine_ls_shift/su_max           0.001 
_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 
Ca1 Ca 0.68356(10) 0.25337(5) 0.15813(10) 0.01791(14) Uani 1 1 d . . . 
Si1 Si 0.36822(13) 0.46401(5) 0.60728(12) 0.01057(17) Uani 1 1 d . . . 
Si2 Si 0.33021(13) 0.13622(5) 0.59492(12) 0.00996(16) Uani 1 1 d . . . 
Si3 Si 0.01905(12) 0.26434(5) 0.51766(12) 0.00966(16) Uani 1 1 d . . . 
Si4 Si 0.12815(13) 0.05004(5) 0.84110(13) 0.01049(17) Uani 1 1 d . . . 
Si5 Si 0.10781(13) 0.39489(5) 0.81918(12) 0.01004(16) Uani 1 1 d . . . 
Si6 Si 0.22065(13) 0.02052(5) 0.25764(12) 0.01077(17) Uani 1 1 d . . . 
Al1 Al 0.75668(13) 0.12657(6) 0.57151(14) 0.00976(18) Uani 1 1 d . . . 
Al2 Al 0.09083(14) 0.39058(6) 0.24017(13) 0.00971(18) Uani 1 1 d . . . 
O1 O 0.7054(4) 0.05286(15) 0.4058(4) 0.0156(5) Uani 1 1 d . . . 
O2 O 0.5532(3) 0.15351(15) 0.6312(3) 0.0144(5) Uani 1 1 d . . . 
O3 O 0.8343(4) 0.20651(14) 0.4705(3) 0.0127(4) Uani 1 1 d . . . 
O4 O 0.9344(4) 0.10003(16) 0.7715(4) 0.0152(5) Uani 1 1 d . . . 
O5 O 0.3062(3) 0.41786(15) 0.7715(3) 0.0133(4) Uani 1 1 d . . . 
O6 O 0.2968(4) 0.41950(15) 0.4104(3) 0.0148(5) Uani 1 1 d . . . 
O7 O 0.6013(3) 0.46060(16) 0.6735(4) 0.0163(5) Uani 1 1 d . . . 
O8 O 0.2203(4) 0.21832(16) 0.5923(4) 0.0163(5) Uani 1 1 d . . . 
O9 O 0.2965(4) 0.08109(16) 0.7581(4) 0.0177(5) Uani 1 1 d . . . 
O10 O 0.2341(4) 0.09127(18) 0.4011(4) 0.0227(6) Uani 1 1 d . . . 
O11 O 0.0058(4) 0.32487(16) 0.6805(4) 0.0174(5) Uani 1 1 d . . . 
O12 O 0.9986(3) 0.30763(15) 0.3185(3) 0.0135(4) Uani 1 1 d . . . 
O13 O 0.9091(4) 0.45889(15) 0.2040(4) 0.0161(5) Uani 1 1 d . . . 
O14 O 0.2194(4) 0.06354(16) 0.0653(3) 0.0170(5) Uani 1 1 d . . . 
O15 O 0.1455(4) 0.36904(16) 0.0332(3) 0.0162(5) Uani 1 1 d . . . 
O16 O 0.9753(4) 0.47238(15) 0.7719(4) 0.0159(5) Uani 1 1 d . . . 
W1 O 0.3633(4) 0.2239(2) 0.1255(5) 0.0303(7) Uani 1 1 d . . . 
W2 O 0.6455(6) 0.2945(2) 0.8533(5) 0.0403(9) Uani 1 1 d . . . 
W5 O 0.6030(4) 0.37368(19) 0.2603(5) 0.0283(6) Uani 1 1 d . . . 
W4 O 0.7755(13) 0.1339(5) 0.0808(7) 0.024(2) Uani 0.73(4) 1 d P . . 
W42 O 0.673(7) 0.1157(11) 0.063(2) 0.070(11) Uani 0.43(5) 1 d P . . 
 
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 0.0164(3) 0.0178(3) 0.0168(3) 0.0014(2) 0.0004(2) -0.0026(3) 
Si1 0.0102(4) 0.0100(4) 0.0114(4) 0.0003(3) 0.0028(3) -0.0007(3) 
Si2 0.0098(4) 0.0089(4) 0.0111(4) 0.0000(3) 0.0029(3) 0.0004(3) 
Si3 0.0106(3) 0.0068(4) 0.0117(4) -0.0001(3) 0.0034(3) -0.0002(3) 
Si4 0.0100(4) 0.0093(4) 0.0118(4) 0.0010(3) 0.0026(3) -0.0014(3) 
Si5 0.0112(4) 0.0087(4) 0.0107(4) -0.0002(3) 0.0039(3) 0.0010(3) 
Si6 0.0103(4) 0.0106(4) 0.0115(4) -0.0012(3) 0.0033(3) -0.0023(3) 
Al1 0.0085(4) 0.0076(4) 0.0131(4) 0.0003(3) 0.0031(3) -0.0010(3) 
Al2 0.0103(4) 0.0078(4) 0.0109(4) 0.0010(3) 0.0026(3) -0.0008(3) 
O1 0.0219(12) 0.0094(11) 0.0158(11) -0.0022(8) 0.0058(9) -0.0041(9) 
O2 0.0114(10) 0.0138(11) 0.0179(11) -0.0007(9) 0.0040(9) 0.0001(9) 
O3 0.0140(10) 0.0105(11) 0.0134(11) 0.0020(8) 0.0034(8) -0.0021(8) 
O4 0.0119(11) 0.0142(11) 0.0182(12) 0.0009(9) 0.0023(9) 0.0033(9) 
O5 0.0119(10) 0.0150(11) 0.0142(11) 0.0028(9) 0.0053(8) 0.0001(9) 
O6 0.0155(11) 0.0162(12) 0.0117(10) -0.0013(9) 0.0024(8) 0.0000(9) 
O7 0.0081(10) 0.0180(12) 0.0226(12) -0.0049(10) 0.0042(9) -0.0003(9) 
O8 0.0128(10) 0.0125(11) 0.0224(12) -0.0001(10) 0.0033(9) 0.0020(9) 
O9 0.0161(11) 0.0180(13) 0.0209(13) 0.0060(9) 0.0081(10) -0.0001(10) 
O10 0.0226(14) 0.0219(14) 0.0226(14) -0.0098(11) 0.0051(11) 0.0002(11) 
O11 0.0169(11) 0.0178(12) 0.0179(12) -0.0086(9) 0.0058(9) -0.0023(10) 
O12 0.0140(10) 0.0134(11) 0.0133(10) 0.0026(8) 0.0044(8) -0.0029(9) 
O13 0.0147(11) 0.0084(11) 0.0251(12) 0.0011(9) 0.0053(9) 0.0022(9) 
O14 0.0186(11) 0.0165(12) 0.0132(11) 0.0022(9) 0.0004(9) -0.0057(10) 
O15 0.0164(11) 0.0176(12) 0.0156(11) -0.0001(9) 0.0061(9) 0.0000(10) 
O16 0.0136(11) 0.0115(11) 0.0227(12) 0.0004(9) 0.0053(9) 0.0021(9) 
W1 0.0207(13) 0.0249(15) 0.0471(19) -0.0004(14) 0.0127(13) -0.0008(12) 
W2 0.061(2) 0.0320(18) 0.0232(15) 0.0040(14) 0.0040(15) -0.0028(17) 
W5 0.0251(14) 0.0220(15) 0.0431(18) -0.0075(13) 0.0183(13) -0.0036(12) 
W4 0.034(4) 0.019(3) 0.022(2) 0.0023(16) 0.014(2) 0.009(2) 
W42 0.13(3) 0.038(7) 0.045(7) -0.002(5) 0.038(10) 0.010(12) 
 
_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 W4 2.276(6) . ? 
Ca1 W2 2.321(3) 1_554 ? 
Ca1 W5 2.328(3) . ? 
Ca1 W1 2.330(3) . ? 
Ca1 O3 2.411(2) . ? 
Ca1 O12 2.446(2) . ? 
Ca1 W42 2.454(18) . ? 
Ca1 Si3 3.0731(11) 1_655 ? 
Ca1 Al1 3.6832(12) . ? 
Ca1 Al2 3.6936(12) 1_655 ? 
Si1 O6 1.604(3) . ? 
Si1 O1 1.606(3) 2_656 ? 
Si1 O5 1.627(3) . ? 
Si1 O7 1.627(3) . ? 
Si2 O2 1.596(3) . ? 
Si2 O10 1.610(3) . ? 
Si2 O9 1.614(3) . ? 
Si2 O8 1.614(3) . ? 
Si3 O8 1.615(3) . ? 
Si3 O11 1.620(3) . ? 
Si3 O3 1.625(3) 1_455 ? 
Si3 O12 1.629(2) 1_455 ? 
Si3 Ca1 3.0732(11) 1_455 ? 
Si4 O13 1.602(3) 2_646 ? 
Si4 O4 1.604(3) 1_455 ? 
Si4 O9 1.615(3) . ? 
Si4 O14 1.630(3) 1_556 ? 
Si5 O15 1.603(3) 1_556 ? 
Si5 O11 1.618(3) . ? 
Si5 O16 1.618(3) 1_455 ? 
Si5 O5 1.632(3) . ? 
Si6 O10 1.600(3) . ? 
Si6 O16 1.607(3) 2_646 ? 
Si6 O14 1.611(3) . ? 
Si6 O7 1.617(3) 2_646 ? 
Al1 O2 1.728(3) . ? 
Al1 O1 1.731(3) . ? 
Al1 O4 1.732(3) . ? 
Al1 O3 1.733(3) . ? 
Al2 O13 1.728(3) 1_455 ? 
Al2 O6 1.736(3) . ? 
Al2 O12 1.741(3) 1_455 ? 
Al2 O15 1.742(3) . ? 
Al2 Ca1 3.6936(12) 1_455 ? 
O1 Si1 1.606(3) 2_646 ? 
O3 Si3 1.625(3) 1_655 ? 
O4 Si4 1.604(3) 1_655 ? 
O7 Si6 1.617(3) 2_656 ? 
O12 Si3 1.629(2) 1_655 ? 
O12 Al2 1.741(3) 1_655 ? 
O13 Si4 1.602(3) 2_656 ? 
O13 Al2 1.728(3) 1_655 ? 
O14 Si4 1.630(3) 1_554 ? 
O15 Si5 1.603(3) 1_554 ? 
O16 Si6 1.607(3) 2_656 ? 
O16 Si5 1.618(3) 1_655 ? 
W2 Ca1 2.321(3) 1_556 ? 
W4 W42 0.79(4) . ? 
 
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 
W4 Ca1 W2 89.14(17) . 1_554 ? 
W4 Ca1 W5 175.68(17) . . ? 
W2 Ca1 W5 94.73(13) 1_554 . ? 
W4 Ca1 W1 97.9(3) . . ? 
W2 Ca1 W1 97.40(13) 1_554 . ? 
W5 Ca1 W1 83.50(12) . . ? 
W4 Ca1 O3 82.02(14) . . ? 
W2 Ca1 O3 160.35(13) 1_554 . ? 
W5 Ca1 O3 93.71(11) . . ? 
W1 Ca1 O3 101.16(11) . . ? 
W4 Ca1 O12 99.3(3) . . ? 
W2 Ca1 O12 101.29(12) 1_554 . ? 
W5 Ca1 O12 78.08(10) . . ? 
W1 Ca1 O12 154.67(11) . . ? 
O3 Ca1 O12 63.27(8) . . ? 
W4 Ca1 W42 18.6(10) . . ? 
W2 Ca1 W42 91.4(3) 1_554 . ? 
W5 Ca1 W42 162.3(12) . . ? 
W1 Ca1 W42 79.3(12) . . ? 
O3 Ca1 W42 85.9(4) . . ? 
O12 Ca1 W42 117.0(12) . . ? 
W4 Ca1 Si3 93.3(2) . 1_655 ? 
W2 Ca1 Si3 132.74(11) 1_554 1_655 ? 
W5 Ca1 Si3 82.64(9) . 1_655 ? 
W1 Ca1 Si3 128.75(9) . 1_655 ? 
O3 Ca1 Si3 31.65(6) . 1_655 ? 
O12 Ca1 Si3 31.83(6) . 1_655 ? 
W42 Ca1 Si3 105.2(8) . 1_655 ? 
W4 Ca1 Al1 72.61(15) . . ? 
W2 Ca1 Al1 161.40(10) 1_554 . ? 
W5 Ca1 Al1 103.63(9) . . ? 
W1 Ca1 Al1 81.95(9) . . ? 
O3 Ca1 Al1 22.78(6) . . ? 
O12 Ca1 Al1 85.63(6) . . ? 
W42 Ca1 Al1 70.2(3) . . ? 
Si3 Ca1 Al1 54.33(3) 1_655 . ? 
W4 Ca1 Al2 109.4(3) . 1_655 ? 
W2 Ca1 Al2 80.44(10) 1_554 1_655 ? 
W5 Ca1 Al2 69.50(8) . 1_655 ? 
W1 Ca1 Al2 152.53(10) . 1_655 ? 
O3 Ca1 Al2 85.97(6) . 1_655 ? 
O12 Ca1 Al2 23.32(6) . 1_655 ? 
W42 Ca1 Al2 128.0(12) . 1_655 ? 
Si3 Ca1 Al2 54.33(2) 1_655 1_655 ? 
Al1 Ca1 Al2 108.62(3) . 1_655 ? 
O6 Si1 O1 112.27(14) . 2_656 ? 
O6 Si1 O5 111.89(14) . . ? 
O1 Si1 O5 110.16(14) 2_656 . ? 
O6 Si1 O7 107.29(14) . . ? 
O1 Si1 O7 110.71(15) 2_656 . ? 
O5 Si1 O7 104.18(14) . . ? 
O2 Si2 O10 113.58(15) . . ? 
O2 Si2 O9 110.36(14) . . ? 
O10 Si2 O9 106.13(16) . . ? 
O2 Si2 O8 108.54(14) . . ? 
O10 Si2 O8 108.56(15) . . ? 
O9 Si2 O8 109.60(15) . . ? 
O8 Si3 O11 107.23(14) . . ? 
O8 Si3 O3 113.02(14) . 1_455 ? 
O11 Si3 O3 109.13(14) . 1_455 ? 
O8 Si3 O12 111.86(14) . 1_455 ? 
O11 Si3 O12 112.60(14) . 1_455 ? 
O3 Si3 O12 103.06(13) 1_455 1_455 ? 
O8 Si3 Ca1 133.38(10) . 1_455 ? 
O11 Si3 Ca1 119.36(10) . 1_455 ? 
O3 Si3 Ca1 51.11(9) 1_455 1_455 ? 
O12 Si3 Ca1 52.37(9) 1_455 1_455 ? 
O13 Si4 O4 111.77(14) 2_646 1_455 ? 
O13 Si4 O9 109.95(15) 2_646 . ? 
O4 Si4 O9 113.28(15) 1_455 . ? 
O13 Si4 O14 110.37(15) 2_646 1_556 ? 
O4 Si4 O14 108.57(15) 1_455 1_556 ? 
O9 Si4 O14 102.50(15) . 1_556 ? 
O15 Si5 O11 110.45(15) 1_556 . ? 
O15 Si5 O16 111.35(14) 1_556 1_455 ? 
O11 Si5 O16 109.36(14) . 1_455 ? 
O15 Si5 O5 111.98(14) 1_556 . ? 
O11 Si5 O5 108.15(14) . . ? 
O16 Si5 O5 105.38(14) 1_455 . ? 
O10 Si6 O16 111.15(15) . 2_646 ? 
O10 Si6 O14 103.55(16) . . ? 
O16 Si6 O14 109.52(14) 2_646 . ? 
O10 Si6 O7 112.16(15) . 2_646 ? 
O16 Si6 O7 108.57(14) 2_646 2_646 ? 
O14 Si6 O7 111.83(15) . 2_646 ? 
O2 Al1 O1 110.71(13) . . ? 
O2 Al1 O4 109.36(13) . . ? 
O1 Al1 O4 112.32(14) . . ? 
O2 Al1 O3 108.22(13) . . ? 
O1 Al1 O3 107.12(13) . . ? 
O4 Al1 O3 108.99(13) . . ? 
O2 Al1 Ca1 97.49(9) . . ? 
O1 Al1 Ca1 83.14(9) . . ? 
O4 Al1 Ca1 140.26(10) . . ? 
O3 Al1 Ca1 32.60(8) . . ? 
O13 Al2 O6 112.57(13) 1_455 . ? 
O13 Al2 O12 104.58(13) 1_455 1_455 ? 
O6 Al2 O12 108.79(13) . 1_455 ? 
O13 Al2 O15 111.36(13) 1_455 . ? 
O6 Al2 O15 109.86(13) . . ? 
O12 Al2 O15 109.50(13) 1_455 . ? 
O13 Al2 Ca1 82.02(9) 1_455 1_455 ? 
O6 Al2 Ca1 141.86(10) . 1_455 ? 
O12 Al2 Ca1 33.79(8) 1_455 1_455 ? 
O15 Al2 Ca1 95.50(10) . 1_455 ? 
Si1 O1 Al1 137.13(17) 2_646 . ? 
Si2 O2 Al1 144.41(17) . . ? 
Si3 O3 Al1 137.68(15) 1_655 . ? 
Si3 O3 Ca1 97.24(11) 1_655 . ? 
Al1 O3 Ca1 124.62(12) . . ? 
Si4 O4 Al1 142.10(18) 1_655 . ? 
Si1 O5 Si5 137.36(16) . . ? 
Si1 O6 Al2 142.27(17) . . ? 
Si6 O7 Si1 138.20(18) 2_656 . ? 
Si2 O8 Si3 145.70(18) . . ? 
Si2 O9 Si4 141.14(19) . . ? 
Si6 O10 Si2 152.8(2) . . ? 
Si5 O11 Si3 146.93(18) . . ? 
Si3 O12 Al2 137.22(16) 1_655 1_655 ? 
Si3 O12 Ca1 95.80(11) 1_655 . ? 
Al2 O12 Ca1 122.89(12) 1_655 . ? 
Si4 O13 Al2 140.10(17) 2_656 1_655 ? 
Si6 O14 Si4 138.27(18) . 1_554 ? 
Si5 O15 Al2 143.88(18) 1_554 . ? 
Si6 O16 Si5 154.21(19) 2_656 1_655 ? 
W42 W4 Ca1 93.6(13) . . ? 
W4 W42 Ca1 67.8(11) . . ? 
 
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              32.32 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    1.942 
_refine_diff_density_min   -0.482 
_refine_diff_density_rms    0.129 
