 
data_shelx 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ba2 O11 P2 Te Zn2' 
_chemical_formula_weight          770.96 
 
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' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Zn'  'Zn'   0.2839   1.4301 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Te'  'Te'  -0.5308   1.6751 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ba'  'Ba'  -0.3244   2.2819 
 '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+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    7.021(4) 
_cell_length_b                    16.166(9) 
_cell_length_c                    9.819(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  106.131(6) 
_cell_angle_gamma                 90.00 
_cell_volume                      1070.7(11) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     572(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     4.783 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1368 
_exptl_absorpt_coefficient_mu     14.704 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       572(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             10913 
_diffrn_reflns_av_R_equivalents   0.0680 
_diffrn_reflns_av_sigmaI/netI     0.0510 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -12 
_diffrn_reflns_limit_l_max        12 
_diffrn_reflns_theta_min          2.50 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              2442 
_reflns_number_gt                 2273 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0370P)²+0.0000P] where P=(Fo²+2Fc²)/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      SHELXL 
_refine_ls_extinction_coef        0.0061(2) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          2442 
_refine_ls_number_parameters      164 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0368 
_refine_ls_R_factor_gt            0.0332 
_refine_ls_wR_factor_ref          0.0787 
_refine_ls_wR_factor_gt           0.0766 
_refine_ls_goodness_of_fit_ref    1.066 
_refine_ls_restrained_S_all       1.066 
_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 
Ba1 Ba 0.25688(6) 0.40618(2) 0.53472(4) 0.01197(13) Uani 1 1 d . . . 
Ba2 Ba 0.72283(6) 0.25980(2) 0.38528(4) 0.01210(13) Uani 1 1 d . . . 
Te1 Te 0.16779(6) 0.55588(2) 0.88885(5) 0.01194(14) Uani 1 1 d . . . 
Zn1 Zn 0.43250(12) 0.45631(4) 0.19955(8) 0.01316(19) Uani 1 1 d . . . 
Zn2 Zn 0.18539(11) 0.14390(5) 0.41805(8) 0.01259(18) Uani 1 1 d . . . 
P1 P 0.2044(2) 0.28595(10) 0.22555(17) 0.0086(3) Uani 1 1 d . . . 
P2 P 0.2265(2) 0.60096(10) 0.33709(18) 0.0099(3) Uani 1 1 d . . . 
O1 O 0.2899(6) 0.2000(3) 0.2807(5) 0.0119(9) Uani 1 1 d . . . 
O2 O 0.3806(6) 0.3471(3) 0.2744(5) 0.0142(9) Uani 1 1 d . . . 
O3 O 0.3720(6) 0.6735(3) 0.3755(5) 0.0141(9) Uani 1 1 d . . . 
O4 O 0.3508(7) 0.5202(3) 0.3453(5) 0.0156(10) Uani 1 1 d . . . 
O5 O 0.1068(7) 0.5933(3) 0.4442(5) 0.0188(11) Uani 1 1 d . . . 
O6 O 0.0394(7) 0.3114(3) 0.2897(5) 0.0163(10) Uani 1 1 d . . . 
O7 O 0.0933(7) 0.6121(3) 0.1827(5) 0.0155(10) Uani 1 1 d . . . 
O8 O 0.1327(7) 0.2813(3) 0.0628(5) 0.0150(10) Uani 1 1 d . . . 
O9 O 0.2557(7) 0.4629(3) 0.0115(5) 0.0150(10) Uani 1 1 d . . . 
O10 O 0.2847(7) 0.5177(3) 0.7493(5) 0.0193(10) Uani 1 1 d . . . 
O11 O 0.3595(8) 0.6315(3) 0.9670(6) 0.0248(12) Uani 1 1 d . . . 
 
 
_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 
Ba1 O5 2.619(5) 3_566 ? 
Ba1 O10 2.738(5) . ? 
Ba1 O3 2.820(5) 3_666 ? 
Ba1 O4 2.824(5) . ? 
Ba1 O6 2.902(5) . ? 
Ba1 O1 2.919(5) 4_566 ? 
Ba1 O4 2.931(5) 3_666 ? 
Ba1 O2 3.072(5) . ? 
Ba1 O8 3.187(5) 4_566 ? 
Ba1 O5 3.245(5) . ? 
Ba1 P2 3.496(3) 3_666 ? 
Ba1 P1 3.537(2) . ? 
Ba2 O11 2.684(5) 2_646 ? 
Ba2 O2 2.738(5) . ? 
Ba2 O6 2.771(4) 1_655 ? 
Ba2 O3 2.827(5) 3_666 ? 
Ba2 O3 2.828(5) 2_645 ? 
Ba2 O7 2.880(5) 2_645 ? 
Ba2 O5 2.960(5) 3_666 ? 
Ba2 O8 2.996(5) 4_666 ? 
Ba2 O1 3.081(5) . ? 
Ba2 P2 3.452(2) 2_645 ? 
Ba2 P2 3.477(2) 3_666 ? 
Ba2 P1 3.566(3) . ? 
Te1 O11 1.823(5) . ? 
Te1 O10 1.886(5) . ? 
Te1 O9 1.917(5) 1_556 ? 
Te1 Zn1 3.1658(19) 3_666 ? 
Te1 Ba2 3.9280(17) 2_656 ? 
Zn1 O9 1.920(5) . ? 
Zn1 O10 1.954(5) 3_666 ? 
Zn1 O4 1.975(5) . ? 
Zn1 O2 1.985(5) . ? 
Zn1 Te1 3.1658(19) 3_666 ? 
Zn1 Ba1 3.6530(15) 3_666 ? 
Zn2 O1 1.931(4) . ? 
Zn2 O9 1.954(5) 4_566 ? 
Zn2 O8 1.978(4) 4_566 ? 
Zn2 O7 1.999(5) 2_545 ? 
Zn2 Ba2 3.685(2) 1_455 ? 
P1 O6 1.522(5) . ? 
P1 O8 1.538(5) . ? 
P1 O1 1.550(4) . ? 
P1 O2 1.551(5) . ? 
P1 Ba1 3.698(2) 4_565 ? 
P2 O5 1.522(5) . ? 
P2 O3 1.533(4) . ? 
P2 O7 1.555(5) . ? 
P2 O4 1.560(5) . ? 
P2 Ba2 3.452(2) 2_655 ? 
P2 Ba2 3.477(2) 3_666 ? 
P2 Ba1 3.496(3) 3_666 ? 
O1 Ba1 2.919(5) 4_565 ? 
O3 Ba1 2.820(5) 3_666 ? 
O3 Ba2 2.827(5) 3_666 ? 
O3 Ba2 2.828(5) 2_655 ? 
O4 Ba1 2.931(5) 3_666 ? 
O5 Ba1 2.619(5) 3_566 ? 
O5 Ba2 2.960(5) 3_666 ? 
O6 Ba2 2.771(4) 1_455 ? 
O7 Zn2 1.999(5) 2 ? 
O7 Ba2 2.880(5) 2_655 ? 
O8 Zn2 1.978(4) 4_565 ? 
O8 Ba2 2.996(5) 4_465 ? 
O8 Ba1 3.187(5) 4_565 ? 
O9 Te1 1.917(5) 1_554 ? 
O9 Zn2 1.954(5) 4_565 ? 
O10 Zn1 1.954(5) 3_666 ? 
O11 Ba2 2.684(5) 2_656 ? 
 
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 
O5 Ba1 O10 78.43(14) 3_566 . ? 
O5 Ba1 O3 144.45(14) 3_566 3_666 ? 
O10 Ba1 O3 101.44(14) . 3_666 ? 
O5 Ba1 O4 117.46(14) 3_566 . ? 
O10 Ba1 O4 95.59(15) . . ? 
O3 Ba1 O4 98.03(13) 3_666 . ? 
O5 Ba1 O6 76.54(14) 3_566 . ? 
O10 Ba1 O6 153.34(14) . . ? 
O3 Ba1 O6 104.22(13) 3_666 . ? 
O4 Ba1 O6 87.93(13) . . ? 
O5 Ba1 O1 77.97(14) 3_566 4_566 ? 
O10 Ba1 O1 77.18(14) . 4_566 ? 
O3 Ba1 O1 67.58(12) 3_666 4_566 ? 
O4 Ba1 O1 161.69(13) . 4_566 ? 
O6 Ba1 O1 106.14(13) . 4_566 ? 
O5 Ba1 O4 142.66(14) 3_566 3_666 ? 
O10 Ba1 O4 64.23(13) . 3_666 ? 
O3 Ba1 O4 51.40(13) 3_666 3_666 ? 
O4 Ba1 O4 68.55(15) . 3_666 ? 
O6 Ba1 O4 140.07(12) . 3_666 ? 
O1 Ba1 O4 93.23(13) 4_566 3_666 ? 
O5 Ba1 O2 125.05(14) 3_566 . ? 
O10 Ba1 O2 150.34(13) . . ? 
O3 Ba1 O2 70.58(13) 3_666 . ? 
O4 Ba1 O2 58.88(13) . . ? 
O6 Ba1 O2 49.56(12) . . ? 
O1 Ba1 O2 121.99(12) 4_566 . ? 
O4 Ba1 O2 90.54(12) 3_666 . ? 
O5 Ba1 O8 72.55(13) 3_566 4_566 ? 
O10 Ba1 O8 121.48(13) . 4_566 ? 
O3 Ba1 O8 77.85(12) 3_666 4_566 ? 
O4 Ba1 O8 142.88(12) . 4_566 ? 
O6 Ba1 O8 58.41(12) . 4_566 ? 
O1 Ba1 O8 47.93(11) 4_566 4_566 ? 
O4 Ba1 O8 126.91(12) 3_666 4_566 ? 
O2 Ba1 O8 85.61(11) . 4_566 ? 
O5 Ba1 O5 76.64(15) 3_566 . ? 
O10 Ba1 O5 62.97(14) . . ? 
O3 Ba1 O5 135.50(12) 3_666 . ? 
O4 Ba1 O5 47.82(12) . . ? 
O6 Ba1 O5 102.05(13) . . ? 
O1 Ba1 O5 136.05(12) 4_566 . ? 
O4 Ba1 O5 85.93(13) 3_666 . ? 
O2 Ba1 O5 101.97(12) . . ? 
O8 Ba1 O5 146.55(12) 4_566 . ? 
O5 Ba1 P2 155.34(12) 3_566 3_666 ? 
O10 Ba1 P2 84.24(10) . 3_666 ? 
O3 Ba1 P2 25.31(9) 3_666 3_666 ? 
O4 Ba1 P2 81.37(10) . 3_666 ? 
O6 Ba1 P2 122.38(9) . 3_666 ? 
O1 Ba1 P2 81.18(9) 4_566 3_666 ? 
O4 Ba1 P2 26.26(9) 3_666 3_666 ? 
O2 Ba1 P2 77.55(9) . 3_666 ? 
O8 Ba1 P2 102.65(9) 4_566 3_666 ? 
O5 Ba1 P2 110.79(9) . 3_666 ? 
O5 Ba1 P1 101.44(11) 3_566 . ? 
O10 Ba1 P1 172.06(11) . . ? 
O3 Ba1 P1 83.34(10) 3_666 . ? 
O4 Ba1 P1 77.36(11) . . ? 
O6 Ba1 P1 24.93(9) . . ? 
O1 Ba1 P1 110.63(10) 4_566 . ? 
O4 Ba1 P1 115.49(9) 3_666 . ? 
O2 Ba1 P1 25.95(8) . . ? 
O8 Ba1 P1 65.53(9) 4_566 . ? 
O5 Ba1 P1 109.19(10) . . ? 
P2 Ba1 P1 98.12(4) 3_666 . ? 
O11 Ba2 O2 108.42(15) 2_646 . ? 
O11 Ba2 O6 136.83(14) 2_646 1_655 ? 
O2 Ba2 O6 114.08(14) . 1_655 ? 
O11 Ba2 O3 73.13(15) 2_646 3_666 ? 
O2 Ba2 O3 75.56(14) . 3_666 ? 
O6 Ba2 O3 124.25(13) 1_655 3_666 ? 
O11 Ba2 O3 94.39(15) 2_646 2_645 ? 
O2 Ba2 O3 86.22(13) . 2_645 ? 
O6 Ba2 O3 81.45(13) 1_655 2_645 ? 
O3 Ba2 O3 152.84(16) 3_666 2_645 ? 
O11 Ba2 O7 70.26(14) 2_646 2_645 ? 
O2 Ba2 O7 137.36(13) . 2_645 ? 
O6 Ba2 O7 73.62(13) 1_655 2_645 ? 
O3 Ba2 O7 137.14(13) 3_666 2_645 ? 
O3 Ba2 O7 52.36(13) 2_645 2_645 ? 
O11 Ba2 O5 115.34(16) 2_646 3_666 ? 
O2 Ba2 O5 89.06(14) . 3_666 ? 
O6 Ba2 O5 73.36(13) 1_655 3_666 ? 
O3 Ba2 O5 51.36(12) 3_666 3_666 ? 
O3 Ba2 O5 149.80(13) 2_645 3_666 ? 
O7 Ba2 O5 131.27(13) 2_645 3_666 ? 
O11 Ba2 O8 80.25(15) 2_646 4_666 ? 
O2 Ba2 O8 160.18(13) . 4_666 ? 
O6 Ba2 O8 62.12(14) 1_655 4_666 ? 
O3 Ba2 O8 90.65(13) 3_666 4_666 ? 
O3 Ba2 O8 111.34(12) 2_645 4_666 ? 
O7 Ba2 O8 62.02(13) 2_645 4_666 ? 
O5 Ba2 O8 71.15(13) 3_666 4_666 ? 
O11 Ba2 O1 66.24(14) 2_646 . ? 
O2 Ba2 O1 49.73(12) . . ? 
O6 Ba2 O1 142.34(13) 1_655 . ? 
O3 Ba2 O1 87.60(12) 3_666 . ? 
O3 Ba2 O1 65.24(12) 2_645 . ? 
O7 Ba2 O1 97.29(12) 2_645 . ? 
O5 Ba2 O1 130.27(12) 3_666 . ? 
O8 Ba2 O1 145.45(12) 4_666 . ? 
O11 Ba2 P2 80.95(12) 2_646 2_645 ? 
O2 Ba2 P2 111.41(10) . 2_645 ? 
O6 Ba2 P2 77.09(11) 1_655 2_645 ? 
O3 Ba2 P2 153.97(9) 3_666 2_645 ? 
O3 Ba2 P2 25.89(9) 2_645 2_645 ? 
O7 Ba2 P2 26.51(10) 2_645 2_645 ? 
O5 Ba2 P2 149.09(10) 3_666 2_645 ? 
O8 Ba2 P2 87.24(9) 4_666 2_645 ? 
O1 Ba2 P2 79.71(9) . 2_645 ? 
O11 Ba2 P2 93.84(13) 2_646 3_666 ? 
O2 Ba2 P2 82.28(10) . 3_666 ? 
O6 Ba2 P2 98.82(11) 1_655 3_666 ? 
O3 Ba2 P2 25.58(9) 3_666 3_666 ? 
O3 Ba2 P2 167.51(9) 2_645 3_666 ? 
O7 Ba2 P2 139.80(10) 2_645 3_666 ? 
O5 Ba2 P2 25.80(9) 3_666 3_666 ? 
O8 Ba2 P2 79.33(9) 4_666 3_666 ? 
O1 Ba2 P2 109.95(9) . 3_666 ? 
P2 Ba2 P2 166.26(5) 2_645 3_666 ? 
O11 Ba2 P1 88.99(12) 2_646 . ? 
O2 Ba2 P1 24.24(9) . . ? 
O6 Ba2 P1 129.22(11) 1_655 . ? 
O3 Ba2 P1 82.69(10) 3_666 . ? 
O3 Ba2 P1 72.87(9) 2_645 . ? 
O7 Ba2 P1 117.71(10) 2_645 . ? 
O5 Ba2 P1 110.88(10) 3_666 . ? 
O8 Ba2 P1 168.65(9) 4_666 . ? 
O1 Ba2 P1 25.67(8) . . ? 
P2 Ba2 P1 94.71(4) 2_645 . ? 
P2 Ba2 P1 97.92(4) 3_666 . ? 
O11 Te1 O10 96.1(2) . . ? 
O11 Te1 O9 101.0(2) . 1_556 ? 
O10 Te1 O9 94.0(2) . 1_556 ? 
O11 Te1 Zn1 63.24(16) . 3_666 ? 
O10 Te1 Zn1 35.17(15) . 3_666 ? 
O9 Te1 Zn1 88.18(15) 1_556 3_666 ? 
O11 Te1 Ba2 36.26(16) . 2_656 ? 
O10 Te1 Ba2 128.96(15) . 2_656 ? 
O9 Te1 Ba2 108.94(15) 1_556 2_656 ? 
Zn1 Te1 Ba2 99.08(3) 3_666 2_656 ? 
O9 Zn1 O10 125.0(2) . 3_666 ? 
O9 Zn1 O4 115.28(19) . . ? 
O10 Zn1 O4 100.4(2) 3_666 . ? 
O9 Zn1 O2 105.62(19) . . ? 
O10 Zn1 O2 112.0(2) 3_666 . ? 
O4 Zn1 O2 94.42(19) . . ? 
O9 Zn1 Te1 97.20(15) . 3_666 ? 
O10 Zn1 Te1 33.77(14) 3_666 3_666 ? 
O4 Zn1 Te1 133.58(14) . 3_666 ? 
O2 Zn1 Te1 108.30(13) . 3_666 ? 
O9 Zn1 Ba1 138.67(14) . 3_666 ? 
O10 Zn1 Ba1 47.40(14) 3_666 3_666 ? 
O4 Zn1 Ba1 53.14(14) . 3_666 ? 
O2 Zn1 Ba1 114.31(14) . 3_666 ? 
Te1 Zn1 Ba1 80.50(4) 3_666 3_666 ? 
O9 Zn1 Ba1 123.40(15) . . ? 
O10 Zn1 Ba1 111.37(14) 3_666 . ? 
O4 Zn1 Ba1 43.52(14) . . ? 
O2 Zn1 Ba1 50.97(13) . . ? 
Te1 Zn1 Ba1 136.83(3) 3_666 . ? 
Ba1 Zn1 Ba1 77.88(4) 3_666 . ? 
O9 Zn1 Ba2 127.12(14) . . ? 
O10 Zn1 Ba2 72.32(16) 3_666 . ? 
O4 Zn1 Ba2 107.68(14) . . ? 
O2 Zn1 Ba2 40.15(13) . . ? 
Te1 Zn1 Ba2 72.09(3) 3_666 . ? 
Ba1 Zn1 Ba2 91.76(4) 3_666 . ? 
Ba1 Zn1 Ba2 71.73(3) . . ? 
O1 Zn2 O9 130.36(19) . 4_566 ? 
O1 Zn2 O8 113.44(19) . 4_566 ? 
O9 Zn2 O8 106.0(2) 4_566 4_566 ? 
O1 Zn2 O7 106.56(19) . 2_545 ? 
O9 Zn2 O7 95.15(19) 4_566 2_545 ? 
O8 Zn2 O7 99.21(19) 4_566 2_545 ? 
O1 Zn2 Ba2 101.36(13) . 1_455 ? 
O9 Zn2 Ba2 126.30(14) 4_566 1_455 ? 
O8 Zn2 Ba2 54.24(14) 4_566 1_455 ? 
O7 Zn2 Ba2 50.94(14) 2_545 1_455 ? 
O6 P1 O8 112.1(3) . . ? 
O6 P1 O1 111.3(2) . . ? 
O8 P1 O1 107.6(3) . . ? 
O6 P1 O2 109.4(3) . . ? 
O8 P1 O2 110.8(3) . . ? 
O1 P1 O2 105.3(3) . . ? 
O6 P1 Ba1 53.51(19) . . ? 
O8 P1 Ba1 147.64(19) . . ? 
O1 P1 Ba1 104.77(18) . . ? 
O2 P1 Ba1 60.05(18) . . ? 
O6 P1 Ba2 130.7(2) . . ? 
O8 P1 Ba2 116.77(19) . . ? 
O1 P1 Ba2 59.41(17) . . ? 
O2 P1 Ba2 46.43(17) . . ? 
Ba1 P1 Ba2 80.64(4) . . ? 
O6 P1 Ba1 129.2(2) . 4_565 ? 
O8 P1 Ba1 58.83(18) . 4_565 ? 
O1 P1 Ba1 48.76(17) . 4_565 ? 
O2 P1 Ba1 120.55(18) . 4_565 ? 
Ba1 P1 Ba1 153.53(5) . 4_565 ? 
Ba2 P1 Ba1 83.69(4) . 4_565 ? 
O5 P2 O3 110.5(3) . . ? 
O5 P2 O7 112.6(3) . . ? 
O3 P2 O7 109.3(3) . . ? 
O5 P2 O4 107.7(3) . . ? 
O3 P2 O4 107.6(3) . . ? 
O7 P2 O4 108.9(3) . . ? 
O5 P2 Ba2 132.1(2) . 2_655 ? 
O3 P2 Ba2 53.67(18) . 2_655 ? 
O7 P2 Ba2 55.74(18) . 2_655 ? 
O4 P2 Ba2 120.03(19) . 2_655 ? 
O5 P2 Ba2 57.81(19) . 3_666 ? 
O3 P2 Ba2 52.78(17) . 3_666 ? 
O7 P2 Ba2 126.33(19) . 3_666 ? 
O4 P2 Ba2 124.58(19) . 3_666 ? 
Ba2 P2 Ba2 90.47(6) 2_655 3_666 ? 
O5 P2 Ba1 117.7(2) . 3_666 ? 
O3 P2 Ba1 51.85(17) . 3_666 ? 
O7 P2 Ba1 129.62(18) . 3_666 ? 
O4 P2 Ba1 56.22(18) . 3_666 ? 
Ba2 P2 Ba1 88.47(4) 2_655 3_666 ? 
Ba2 P2 Ba1 82.48(4) 3_666 3_666 ? 
O5 P2 Ba1 61.81(19) . . ? 
O3 P2 Ba1 126.09(19) . . ? 
O7 P2 Ba1 123.04(19) . . ? 
O4 P2 Ba1 46.04(17) . . ? 
Ba2 P2 Ba1 166.04(5) 2_655 . ? 
Ba2 P2 Ba1 99.36(6) 3_666 . ? 
Ba1 P2 Ba1 83.07(4) 3_666 . ? 
P1 O1 Zn2 118.6(2) . . ? 
P1 O1 Ba1 107.7(2) . 4_565 ? 
Zn2 O1 Ba1 110.08(18) . 4_565 ? 
P1 O1 Ba2 94.92(19) . . ? 
Zn2 O1 Ba2 116.47(19) . . ? 
Ba1 O1 Ba2 107.73(13) 4_565 . ? 
P1 O2 Zn1 131.7(3) . . ? 
P1 O2 Ba2 109.3(2) . . ? 
Zn1 O2 Ba2 111.99(18) . . ? 
P1 O2 Ba1 94.0(2) . . ? 
Zn1 O2 Ba1 98.90(17) . . ? 
Ba2 O2 Ba1 104.42(15) . . ? 
P2 O3 Ba1 102.8(2) . 3_666 ? 
P2 O3 Ba2 101.6(2) . 3_666 ? 
Ba1 O3 Ba2 108.98(16) 3_666 3_666 ? 
P2 O3 Ba2 100.4(2) . 2_655 ? 
Ba1 O3 Ba2 118.23(15) 3_666 2_655 ? 
Ba2 O3 Ba2 120.91(16) 3_666 2_655 ? 
P2 O4 Zn1 132.2(3) . . ? 
P2 O4 Ba1 110.5(2) . . ? 
Zn1 O4 Ba1 107.69(19) . . ? 
P2 O4 Ba1 97.5(2) . 3_666 ? 
Zn1 O4 Ba1 94.23(17) . 3_666 ? 
Ba1 O4 Ba1 111.45(15) . 3_666 ? 
P2 O5 Ba1 142.4(3) . 3_566 ? 
P2 O5 Ba2 96.4(2) . 3_666 ? 
Ba1 O5 Ba2 101.67(15) 3_566 3_666 ? 
P2 O5 Ba1 93.8(2) . . ? 
Ba1 O5 Ba1 103.36(15) 3_566 . ? 
Ba2 O5 Ba1 122.92(17) 3_666 . ? 
P1 O6 Ba2 146.4(3) . 1_455 ? 
P1 O6 Ba1 101.6(2) . . ? 
Ba2 O6 Ba1 99.52(14) 1_455 . ? 
P2 O7 Zn2 138.8(3) . 2 ? 
P2 O7 Ba2 97.8(2) . 2_655 ? 
Zn2 O7 Ba2 96.45(17) 2 2_655 ? 
P1 O8 Zn2 130.1(3) . 4_565 ? 
P1 O8 Ba2 126.8(2) . 4_465 ? 
Zn2 O8 Ba2 93.37(17) 4_565 4_465 ? 
P1 O8 Ba1 96.8(2) . 4_565 ? 
Zn2 O8 Ba1 114.16(18) 4_565 4_565 ? 
Ba2 O8 Ba1 88.88(12) 4_465 4_565 ? 
Te1 O9 Zn1 131.1(2) 1_554 . ? 
Te1 O9 Zn2 113.7(2) 1_554 4_565 ? 
Zn1 O9 Zn2 114.4(2) . 4_565 ? 
Te1 O10 Zn1 111.1(2) . 3_666 ? 
Te1 O10 Ba1 145.3(2) . . ? 
Zn1 O10 Ba1 100.92(18) 3_666 . ? 
Te1 O11 Ba2 120.1(2) . 2_656 ? 
 
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    2.046 
_refine_diff_density_min   -1.706 
_refine_diff_density_rms    0.312 
