#------------------------------------------------------------------------------
#$Date: 2017-02-04 00:22:36 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191236 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/50/4345088.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4345088
loop_
_publ_author_name
'Wang, Jian'
'Lee, Kathleen'
'Kovnir, Kirill'
_publ_section_title
;
 Synthesis, Crystal Structure, and Properties of La4Zn7P10 and
 La4Mg1.5Zn8.5P12.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              783
_journal_page_last               790
_journal_paper_doi               10.1021/acs.inorgchem.6b02216
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'La4 P10 Zn7'
_chemical_formula_weight         1322.93
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.627(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.579(7)
_cell_length_b                   4.1312(18)
_cell_length_c                   14.409(6)
_cell_measurement_reflns_used    4561
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.341
_cell_measurement_theta_min      1.520
_cell_volume                     862.1(6)
_computing_cell_refinement       'SMART V5.625 (Bruker, 2000)'
_computing_data_collection       'SMART V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT V6.32 (Bruker, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       'profile data from ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0791
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4038
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    20.119
_exptl_absorpt_correction_T_max  0.6891
_exptl_absorpt_correction_T_min  0.1963
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03 (Bruker, 2003)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    5.097
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.112
_refine_diff_density_min         -1.931
_refine_diff_density_rms         0.404
_refine_ls_extinction_coef       0.00115(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0388P)²+2.2014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                683
_reflns_number_total             877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02216_si_002.cif
_cod_data_source_block           shelxl
_cod_database_code               4345088
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_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
La1 La 0.25719(7) 0.0000 0.35863(7) 0.0074(3) Uani 1 2 d S
La2 La 0.46817(7) 0.0000 0.24350(7) 0.0075(4) Uani 1 2 d S
Zn1 Zn 0.08804(13) 0.0000 0.45167(14) 0.0081(5) Uani 1 2 d S
Zn2 Zn 0.64354(14) 0.0000 0.15089(15) 0.0089(5) Uani 1 2 d S
Zn3 Zn 0.80896(15) 0.0000 0.05786(16) 0.0172(6) Uani 1 2 d S
Zn4 Zn 0.0000 0.1100(10) 0.0000 0.0163(11) Uani 0.50 2 d SP
P1 P 0.0727(3) 0.0000 0.1754(4) 0.0118(10) Uani 1 2 d S
P2 P 0.0820(4) 0.0839(13) 0.6187(4) 0.0082(15) Uiso 0.50 1 d P
P3 P 0.1850(3) 0.0484(19) 0.7675(4) 0.0073(14) Uiso 0.50 1 d P
P4 P 0.3514(3) 0.0000 0.5843(3) 0.0071(9) Uani 1 2 d S
P5 P 0.3642(3) 0.0000 0.0182(3) 0.0135(11) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P2 La1 P2 71.1(2) 7_556 4_546
P2 La1 P3 89.84(16) 7_556 4_546
P2 La1 P3 42.75(15) 4_546 4_546
P2 La1 P3 42.75(15) 7_556 7_556
P2 La1 P3 89.84(16) 4_546 7_556
P3 La1 P3 77.9(3) 4_546 7_556
P2 La1 P4 156.86(14) 7_556 7_546
P2 La1 P4 96.36(13) 4_546 7_546
P3 La1 P4 93.69(15) 4_546 7_546
P3 La1 P4 159.88(14) 7_556 7_546
P2 La1 P4 96.36(13) 7_556 7_556
P2 La1 P4 156.86(14) 4_546 7_556
P3 La1 P4 159.88(14) 4_546 7_556
P3 La1 P4 93.69(15) 7_556 7_556
P4 La1 P4 88.10(12) 7_546 7_556
P2 La1 P4 80.00(13) 7_556 .
P2 La1 P4 80.00(13) 4_546 .
P3 La1 P4 121.36(13) 4_546 .
P3 La1 P4 121.36(13) 7_556 .
P4 La1 P4 78.65(12) 7_546 .
P4 La1 P4 78.65(12) 7_556 .
P2 La1 P1 125.12(13) 7_556 .
P2 La1 P1 125.12(13) 4_546 .
P3 La1 P1 82.75(12) 4_546 .
P3 La1 P1 82.75(12) 7_556 .
P4 La1 P1 78.02(11) 7_546 .
P4 La1 P1 78.02(11) 7_556 .
P4 La1 P1 147.32(12) . .
P2 La1 P3 93.98(15) 7_556 7_546
P2 La1 P3 41.77(14) 4_546 7_546
P3 La1 P3 5.5(2) 4_546 7_546
P3 La1 P3 83.46(12) 7_556 7_546
P4 La1 P3 88.45(13) 7_546 7_546
P4 La1 P3 161.37(13) 7_556 7_546
P4 La1 P3 118.52(11) . 7_546
P1 La1 P3 83.35(11) . 7_546
P2 La1 P3 41.77(14) 7_556 4_556
P2 La1 P3 93.98(15) 4_546 4_556
P3 La1 P3 83.46(12) 4_546 4_556
P3 La1 P3 5.5(2) 7_556 4_556
P4 La1 P3 161.37(13) 7_546 4_556
P4 La1 P3 88.45(13) 7_556 4_556
P4 La1 P3 118.52(12) . 4_556
P1 La1 P3 83.35(11) . 4_556
P3 La1 P3 89.0(2) 7_546 4_556
P2 La1 Zn1 135.37(11) 7_556 .
P2 La1 Zn1 135.37(11) 4_546 .
P3 La1 Zn1 134.62(12) 4_546 .
P3 La1 Zn1 134.62(12) 7_556 .
P4 La1 Zn1 44.06(6) 7_546 .
P4 La1 Zn1 44.06(6) 7_556 .
P4 La1 Zn1 73.36(10) . .
P1 La1 Zn1 73.96(10) . .
P3 La1 Zn1 130.13(11) 7_546 .
P3 La1 Zn1 130.13(11) 4_556 .
P2 La1 P2 9.53(14) 7_556 4_556
P2 La1 P2 80.66(14) 4_546 4_556
P3 La1 P2 97.21(16) 4_546 4_556
P3 La1 P2 40.07(14) 7_556 4_556
P4 La1 P2 159.97(13) 7_546 4_556
P4 La1 P2 87.40(12) 7_556 4_556
P4 La1 P2 81.33(11) . 4_556
P1 La1 P2 119.95(11) . 4_556
P3 La1 P2 101.70(15) 7_546 4_556
P3 La1 P2 37.83(14) 4_556 4_556
Zn1 La1 P2 128.14(10) . 4_556
P2 La2 P2 71.5(2) 7_556 4_546
P2 La2 P4 80.92(14) 7_556 5_656
P2 La2 P4 80.92(14) 4_546 5_656
P2 La2 P3 89.71(16) 7_556 4_546
P2 La2 P3 42.69(15) 4_546 4_546
P4 La2 P3 122.22(12) 5_656 4_546
P2 La2 P3 42.69(15) 7_556 7_556
P2 La2 P3 89.71(16) 4_546 7_556
P4 La2 P3 122.22(12) 5_656 7_556
P3 La2 P3 77.3(3) 4_546 7_556
P2 La2 P1 97.43(13) 7_556 3
P2 La2 P1 158.65(15) 4_546 3
P4 La2 P1 79.27(12) 5_656 3
P3 La2 P1 158.30(14) 4_546 3
P3 La2 P1 94.13(15) 7_556 3
P2 La2 P1 158.65(15) 7_556 3_545
P2 La2 P1 97.43(13) 4_546 3_545
P4 La2 P1 79.27(12) 5_656 3_545
P3 La2 P1 94.13(15) 4_546 3_545
P3 La2 P1 158.30(14) 7_556 3_545
P1 La2 P1 86.66(12) 3 3_545
P2 La2 P5 123.39(13) 7_556 .
P2 La2 P5 123.39(13) 4_546 .
P4 La2 P5 148.52(13) 5_656 .
P3 La2 P5 80.98(12) 4_546 .
P3 La2 P5 80.98(12) 7_556 .
P1 La2 P5 77.97(11) 3 .
P1 La2 P5 77.97(11) 3_545 .
P2 La2 P3 93.86(15) 7_556 7_546
P2 La2 P3 41.66(14) 4_546 7_546
P4 La2 P3 119.33(11) 5_656 7_546
P3 La2 P3 5.5(2) 4_546 7_546
P3 La2 P3 82.82(13) 7_556 7_546
P1 La2 P3 159.69(13) 3 7_546
P1 La2 P3 88.95(13) 3_545 7_546
P5 La2 P3 81.72(11) . 7_546
P2 La2 P3 41.66(14) 7_556 4_556
P2 La2 P3 93.86(15) 4_546 4_556
P4 La2 P3 119.33(11) 5_656 4_556
P3 La2 P3 82.82(13) 4_546 4_556
P3 La2 P3 5.5(2) 7_556 4_556
P1 La2 P3 88.95(13) 3 4_556
P1 La2 P3 159.69(13) 3_545 4_556
P5 La2 P3 81.72(11) . 4_556
P3 La2 P3 88.3(2) 7_546 4_556
P2 La2 P2 9.54(14) 7_556 4_556
P2 La2 P2 81.06(14) 4_546 4_556
P4 La2 P2 82.14(12) 5_656 4_556
P3 La2 P2 97.08(15) 4_546 4_556
P3 La2 P2 40.12(15) 7_556 4_556
P1 La2 P2 88.39(12) 3 4_556
P1 La2 P2 161.34(14) 3_545 4_556
P5 La2 P2 118.49(11) . 4_556
P3 La2 P2 101.57(14) 7_546 4_556
P3 La2 P2 37.83(14) 4_556 4_556
P2 La2 P2 81.06(14) 7_556 7_546
P2 La2 P2 9.54(14) 4_546 7_546
P4 La2 P2 82.14(12) 5_656 7_546
P3 La2 P2 40.12(15) 4_546 7_546
P3 La2 P2 97.08(15) 7_556 7_546
P1 La2 P2 161.34(14) 3 7_546
P1 La2 P2 88.39(12) 3_545 7_546
P5 La2 P2 118.49(11) . 7_546
P3 La2 P2 37.83(14) 7_546 7_546
P3 La2 P2 101.57(14) 4_556 7_546
P2 La2 P2 90.60(19) 4_556 7_546
P4 Zn1 P4 118.3(2) 7_556 7_546
P4 Zn1 P2 104.41(16) 7_556 .
P4 Zn1 P2 119.34(17) 7_546 .
P4 Zn1 P2 119.34(17) 7_556 6
P4 Zn1 P2 104.41(16) 7_546 6
P2 Zn1 P2 16.1(2) . 6
P4 Zn1 P2 118.39(17) 7_556 5_556
P4 Zn1 P2 103.66(16) 7_546 5_556
P2 Zn1 P2 90.0(2) . 5_556
P2 Zn1 P2 87.7(2) 6 5_556
P4 Zn1 P2 103.66(16) 7_556 2_556
P4 Zn1 P2 118.39(17) 7_546 2_556
P2 Zn1 P2 87.7(2) . 2_556
P2 Zn1 P2 90.0(2) 6 2_556
P2 Zn1 P2 16.0(2) 5_556 2_556
P4 Zn1 La1 59.16(10) 7_556 .
P4 Zn1 La1 59.16(10) 7_546 .
P2 Zn1 La1 134.83(16) . .
P2 Zn1 La1 134.83(16) 6 .
P2 Zn1 La1 135.22(15) 5_556 .
P2 Zn1 La1 135.22(15) 2_556 .
P4 Zn1 La2 116.30(13) 7_556 3_445
P4 Zn1 La2 56.27(11) 7_546 3_445
P2 Zn1 La2 135.07(14) . 3_445
P2 Zn1 La2 123.00(14) 6 3_445
P2 Zn1 La2 54.93(13) 5_556 3_445
P2 Zn1 La2 65.63(13) 2_556 3_445
La1 Zn1 La2 84.77(5) . 3_445
P4 Zn1 La2 56.27(11) 7_556 3_455
P4 Zn1 La2 116.30(13) 7_546 3_455
P2 Zn1 La2 123.00(14) . 3_455
P2 Zn1 La2 135.07(14) 6 3_455
P2 Zn1 La2 65.63(13) 5_556 3_455
P2 Zn1 La2 54.93(13) 2_556 3_455
La1 Zn1 La2 84.77(5) . 3_455
La2 Zn1 La2 71.10(5) 3_445 3_455
P4 Zn1 La1 57.26(11) 7_556 7_556
P4 Zn1 La1 117.05(13) 7_546 7_556
P2 Zn1 La1 55.16(14) . 7_556
P2 Zn1 La1 65.89(14) 6 7_556
P2 Zn1 La1 135.36(14) 5_556 7_556
P2 Zn1 La1 123.36(13) 2_556 7_556
La1 Zn1 La1 84.14(5) . 7_556
La2 Zn1 La1 168.91(6) 3_445 7_556
La2 Zn1 La1 107.89(3) 3_455 7_556
P4 Zn1 La1 117.05(13) 7_556 7_546
P4 Zn1 La1 57.26(11) 7_546 7_546
P2 Zn1 La1 65.89(14) . 7_546
P2 Zn1 La1 55.16(14) 6 7_546
P2 Zn1 La1 123.36(13) 5_556 7_546
P2 Zn1 La1 135.36(14) 2_556 7_546
La1 Zn1 La1 84.14(5) . 7_546
La2 Zn1 La1 107.89(3) 3_445 7_546
La2 Zn1 La1 168.91(6) 3_455 7_546
La1 Zn1 La1 70.87(5) 7_556 7_546
P5 Zn2 P1 107.02(13) 5_655 3_545
P5 Zn2 P1 107.02(13) 5_655 3
P1 Zn2 P1 116.6(2) 3_545 3
P5 Zn2 P3 97.09(17) 5_655 2_656
P1 Zn2 P3 117.6(2) 3_545 2_656
P1 Zn2 P3 109.1(2) 3 2_656
P5 Zn2 P3 97.09(17) 5_655 5_656
P1 Zn2 P3 109.1(2) 3_545 5_656
P1 Zn2 P3 117.6(2) 3 5_656
P3 Zn2 P3 9.2(4) 2_656 5_656
P5 Zn2 Zn4 60.71(10) 5_655 3_545
P1 Zn2 Zn4 51.85(13) 3_545 3_545
P1 Zn2 Zn4 108.04(15) 3 3_545
P3 Zn2 Zn4 141.03(17) 2_656 3_545
P3 Zn2 Zn4 133.65(17) 5_656 3_545
P5 Zn2 Zn4 60.71(10) 5_655 7
P1 Zn2 Zn4 108.04(15) 3_545 7
P1 Zn2 Zn4 51.85(13) 3 7
P3 Zn2 Zn4 133.65(17) 2_656 7
P3 Zn2 Zn4 141.03(17) 5_656 7
Zn4 Zn2 Zn4 66.05(14) 3_545 7
P5 Zn2 La2 129.97(13) 5_655 .
P1 Zn2 La2 58.50(10) 3_545 .
P1 Zn2 La2 58.50(10) 3 .
P3 Zn2 La2 132.74(13) 2_656 .
P3 Zn2 La2 132.74(13) 5_656 .
Zn4 Zn2 La2 78.03(5) 3_545 .
Zn4 Zn2 La2 78.03(5) 7 .
P5 Zn2 La1 133.19(8) 5_655 3
P1 Zn2 La1 119.17(13) 3_545 3
P1 Zn2 La1 59.43(12) 3 3
P3 Zn2 La1 55.85(14) 2_656 3
P3 Zn2 La1 62.13(15) 5_656 3
Zn4 Zn2 La1 161.77(7) 3_545 3
Zn4 Zn2 La1 108.17(7) 7 3
La2 Zn2 La1 83.88(5) . 3
P5 Zn2 La1 133.19(8) 5_655 3_545
P1 Zn2 La1 59.43(12) 3_545 3_545
P1 Zn2 La1 119.17(13) 3 3_545
P3 Zn2 La1 62.13(15) 2_656 3_545
P3 Zn2 La1 55.85(15) 5_656 3_545
Zn4 Zn2 La1 108.17(7) 3_545 3_545
Zn4 Zn2 La1 161.77(7) 7 3_545
La2 Zn2 La1 83.88(5) . 3_545
La1 Zn2 La1 71.65(5) 3 3_545
P5 Zn3 P5 119.8(2) 3 3_545
P5 Zn3 P3 106.9(2) 3 2_656
P5 Zn3 P3 115.4(2) 3_545 2_656
P5 Zn3 P3 115.4(2) 3 5_656
P5 Zn3 P3 106.9(2) 3_545 5_656
P3 Zn3 P3 9.2(4) 2_656 5_656
P5 Zn3 P5 108.67(12) 3 5_655
P5 Zn3 P5 108.67(12) 3_545 5_655
P3 Zn3 P5 94.30(16) 2_656 5_655
P3 Zn3 P5 94.30(16) 5_656 5_655
P5 Zn3 Zn3 134.17(17) 3 7_645
P5 Zn3 Zn3 56.34(11) 3_545 7_645
P3 Zn3 Zn3 115.10(18) 2_656 7_645
P3 Zn3 Zn3 107.95(18) 5_656 7_645
P5 Zn3 Zn3 52.33(8) 5_655 7_645
P5 Zn3 Zn3 56.34(11) 3 7_655
P5 Zn3 Zn3 134.17(17) 3_545 7_655
P3 Zn3 Zn3 107.95(18) 2_656 7_655
P3 Zn3 Zn3 115.10(18) 5_656 7_655
P5 Zn3 Zn3 52.33(8) 5_655 7_655
Zn3 Zn3 Zn3 92.60(13) 7_645 7_655
P5 Zn3 La2 57.67(12) 3 3
P5 Zn3 La2 117.97(14) 3_545 3
P3 Zn3 La2 55.82(15) 2_656 3
P3 Zn3 La2 62.06(16) 5_656 3
P5 Zn3 La2 131.82(8) 5_655 3
Zn3 Zn3 La2 167.86(9) 7_645 3
Zn3 Zn3 La2 97.99(5) 7_655 3
P5 Zn3 La2 117.97(14) 3 3_545
P5 Zn3 La2 57.67(12) 3_545 3_545
P3 Zn3 La2 62.06(16) 2_656 3_545
P3 Zn3 La2 55.82(15) 5_656 3_545
P5 Zn3 La2 131.82(8) 5_655 3_545
Zn3 Zn3 La2 97.99(5) 7_645 3_545
Zn3 Zn3 La2 167.86(9) 7_655 3_545
La2 Zn3 La2 70.90(5) 3 3_545
Zn4 Zn4 P1 79.09(10) 5 .
Zn4 Zn4 P1 79.09(10) 5 5
P1 Zn4 P1 158.2(2) . 5
Zn4 Zn4 P5 125.91(9) 5 7
P1 Zn4 P5 97.47(14) . 7
P1 Zn4 P5 95.28(13) 5 7
Zn4 Zn4 P5 125.91(9) 5 3_455
P1 Zn4 P5 95.28(13) . 3_455
P1 Zn4 P5 97.47(14) 5 3_455
P5 Zn4 P5 108.17(18) 7 3_455
Zn4 Zn4 Zn2 123.03(7) 5 3_455
P1 Zn4 Zn2 52.66(8) . 3_455
P1 Zn4 Zn2 144.37(13) 5 3_455
P5 Zn4 Zn2 49.47(11) 7 3_455
P5 Zn4 Zn2 90.60(13) 3_455 3_455
Zn4 Zn4 Zn2 123.03(7) 5 7
P1 Zn4 Zn2 144.37(13) . 7
P1 Zn4 Zn2 52.66(8) 5 7
P5 Zn4 Zn2 90.60(13) 7 7
P5 Zn4 Zn2 49.47(11) 3_455 7
Zn2 Zn4 Zn2 113.95(14) 3_455 7
Zn4 P1 Zn4 21.8(2) 5 .
Zn4 P1 Zn2 94.09(17) 5 3_455
Zn4 P1 Zn2 75.49(14) . 3_455
Zn4 P1 Zn2 75.49(14) 5 3_445
Zn4 P1 Zn2 94.09(17) . 3_445
Zn2 P1 Zn2 116.6(2) 3_455 3_445
Zn4 P1 La2 96.38(14) 5 3_445
Zn4 P1 La2 111.76(17) . 3_445
Zn2 P1 La2 163.86(17) 3_455 3_445
Zn2 P1 La2 78.06(6) 3_445 3_445
Zn4 P1 La2 111.76(17) 5 3_455
Zn4 P1 La2 96.38(14) . 3_455
Zn2 P1 La2 78.06(6) 3_455 3_455
Zn2 P1 La2 163.86(17) 3_445 3_455
La2 P1 La2 86.66(12) 3_445 3_455
Zn4 P1 La1 145.59(18) 5 .
Zn4 P1 La1 145.59(18) . .
Zn2 P1 La1 78.23(13) 3_455 .
Zn2 P1 La1 78.23(13) 3_445 .
La2 P1 La1 99.52(12) 3_445 .
La2 P1 La1 99.52(12) 3_455 .
P2 P2 P3 86.1(2) 6 .
P2 P2 P3 75.8(2) 6 6
P3 P2 P3 10.4(4) . 6
P2 P2 Zn1 81.93(12) 6 .
P3 P2 Zn1 132.7(3) . .
P3 P2 Zn1 129.3(3) 6 .
P2 P2 Zn1 81.99(12) 6 5_556
P3 P2 Zn1 133.3(3) . 5_556
P3 P2 Zn1 129.9(3) 6 5_556
Zn1 P2 Zn1 90.0(2) . 5_556
P2 P2 La2 125.76(11) 6 7_556
P3 P2 La2 69.8(2) . 7_556
P3 P2 La2 76.7(2) 6 7_556
Zn1 P2 La2 148.8(2) . 7_556
Zn1 P2 La2 81.29(17) 5_556 7_556
P2 P2 La1 125.57(10) 6 7_556
P3 P2 La1 68.9(2) . 7_556
P3 P2 La1 75.8(2) 6 7_556
Zn1 P2 La1 81.60(16) . 7_556
Zn1 P2 La1 149.1(2) 5_556 7_556
La2 P2 La1 90.61(15) 7_556 7_556
P2 P2 La2 44.69(9) 6 7_546
P3 P2 La2 67.5(2) . 7_546
P3 P2 La2 60.0(2) 6 7_546
Zn1 P2 La2 124.80(19) . 7_546
Zn1 P2 La2 72.49(14) 5_556 7_546
La2 P2 La2 81.06(14) 7_556 7_546
La1 P2 La2 135.83(19) 7_556 7_546
P2 P2 La1 44.91(9) 6 7_546
P3 P2 La1 66.7(2) . 7_546
P3 P2 La1 59.3(2) 6 7_546
Zn1 P2 La1 72.72(14) . 7_546
Zn1 P2 La1 125.16(19) 5_556 7_546
La2 P2 La1 135.90(19) 7_556 7_546
La1 P2 La1 80.66(14) 7_556 7_546
La2 P2 La1 76.13(11) 7_546 7_546
P3 P3 P2 93.9(3) 6 .
P3 P3 P2 75.7(3) 6 6
P2 P3 P2 18.1(3) . 6
P3 P3 Zn3 85.40(18) 6 5_656
P2 P3 Zn3 138.3(3) . 5_656
P2 P3 Zn3 134.4(3) 6 5_656
P3 P3 Zn2 85.41(16) 6 5_656
P2 P3 Zn2 138.4(3) . 5_656
P2 P3 Zn2 134.5(3) 6 5_656
Zn3 P3 Zn2 83.24(16) 5_656 5_656
P3 P3 La1 128.97(13) 6 7_556
P2 P3 La1 68.4(2) . 7_556
P2 P3 La1 80.7(2) 6 7_556
Zn3 P3 La1 139.7(3) 5_656 7_556
Zn2 P3 La1 79.95(16) 5_656 7_556
P3 P3 La2 128.65(14) 6 7_556
P2 P3 La2 67.5(2) . 7_556
P2 P3 La2 79.8(2) 6 7_556
Zn3 P3 La2 80.54(15) 5_656 7_556
Zn2 P3 La2 140.3(3) 5_656 7_556
La1 P3 La2 89.5(2) 7_556 7_556
P3 P3 La1 45.51(11) 6 7_546
P2 P3 La1 75.4(2) . 7_546
P2 P3 La1 62.4(2) 6 7_546
Zn3 P3 La1 126.6(3) 5_656 7_546
Zn2 P3 La1 74.79(16) 5_656 7_546
La1 P3 La1 83.46(12) 7_556 7_546
La2 P3 La1 142.23(18) 7_556 7_546
P3 P3 La2 45.83(13) 6 7_546
P2 P3 La2 74.6(2) . 7_546
P2 P3 La2 61.7(2) 6 7_546
Zn3 P3 La2 75.34(15) 5_656 7_546
Zn2 P3 La2 127.2(3) 5_656 7_546
La1 P3 La2 142.31(18) 7_556 7_546
La2 P3 La2 82.82(13) 7_556 7_546
La1 P3 La2 80.55(17) 7_546 7_546
Zn1 P4 Zn1 118.3(2) 7_556 7_546
Zn1 P4 La1 164.85(16) 7_556 7_546
Zn1 P4 La1 76.78(6) 7_546 7_546
Zn1 P4 La1 76.78(6) 7_556 7_556
Zn1 P4 La1 164.85(16) 7_546 7_556
La1 P4 La1 88.10(12) 7_546 7_556
Zn1 P4 La2 81.66(12) 7_556 5_656
Zn1 P4 La2 81.66(12) 7_546 5_656
La1 P4 La2 103.17(12) 7_546 5_656
La1 P4 La2 103.17(12) 7_556 5_656
Zn1 P4 La1 80.91(12) 7_556 .
Zn1 P4 La1 80.91(12) 7_546 .
La1 P4 La1 101.35(12) 7_546 .
La1 P4 La1 101.35(12) 7_556 .
La2 P4 La1 145.62(16) 5_656 .
Zn3 P5 Zn3 119.8(2) 3_445 3_455
Zn3 P5 Zn2 110.88(13) 3_445 5_655
Zn3 P5 Zn2 110.88(13) 3_455 5_655
Zn3 P5 Zn3 71.33(12) 3_445 5_655
Zn3 P5 Zn3 71.33(12) 3_455 5_655
Zn2 P5 Zn3 85.00(16) 5_655 5_655
Zn3 P5 Zn4 152.73(18) 3_445 7
Zn3 P5 Zn4 82.75(10) 3_455 7
Zn2 P5 Zn4 69.83(11) 5_655 7
Zn3 P5 Zn4 134.42(13) 5_655 7
Zn3 P5 Zn4 82.75(10) 3_445 3_545
Zn3 P5 Zn4 152.73(18) 3_455 3_545
Zn2 P5 Zn4 69.83(11) 5_655 3_545
Zn3 P5 Zn4 134.42(13) 5_655 3_545
Zn4 P5 Zn4 71.83(18) 7 3_545
Zn3 P5 La2 80.89(12) 3_445 .
Zn3 P5 La2 80.89(12) 3_455 .
Zn2 P5 La2 153.11(19) 5_655 .
Zn3 P5 La2 121.89(16) 5_655 .
Zn4 P5 La2 88.63(12) 7 .
Zn4 P5 La2 88.63(12) 3_545 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 P2 2.956(6) 7_556
La1 P2 2.956(6) 4_546
La1 P3 2.966(6) 4_546
La1 P3 2.966(6) 7_556
La1 P4 2.971(3) 7_546
La1 P4 2.971(3) 7_556
La1 P4 3.035(5) .
La1 P1 3.104(5) .
La1 P3 3.233(7) 7_546
La1 P3 3.233(7) 4_556
La1 Zn1 3.368(2) .
La1 P2 3.406(6) 4_556
La2 P2 2.941(6) 7_556
La2 P2 2.941(6) 4_546
La2 P4 2.986(5) 5_656
La2 P3 2.987(6) 4_546
La2 P3 2.987(6) 7_556
La2 P1 3.010(3) 3
La2 P1 3.010(3) 3_545
La2 P5 3.048(5) .
La2 P3 3.252(7) 7_546
La2 P3 3.252(7) 4_556
La2 P2 3.393(5) 4_556
La2 P2 3.393(6) 7_546
Zn1 P4 2.406(3) 7_556
Zn1 P4 2.406(3) 7_546
Zn1 P2 2.467(6) .
Zn1 P2 2.467(6) 6
Zn1 P2 2.487(6) 5_556
Zn1 P2 2.487(6) 2_556
Zn1 La2 3.553(2) 3_445
Zn1 La2 3.553(2) 3_455
Zn1 La1 3.563(2) 7_556
Zn1 La1 3.563(2) 7_546
Zn2 P5 2.394(5) 5_655
Zn2 P1 2.428(3) 3_545
Zn2 P1 2.428(3) 3
Zn2 P3 2.498(6) 2_656
Zn2 P3 2.498(6) 5_656
Zn2 Zn4 2.956(3) 3_545
Zn2 Zn4 2.956(3) 7
Zn2 La1 3.529(2) 3
Zn2 La1 3.529(2) 3_545
Zn3 P5 2.387(3) 3
Zn3 P5 2.387(3) 3_545
Zn3 P3 2.492(5) 2_656
Zn3 P3 2.492(5) 5_656
Zn3 P5 2.510(5) 5_655
Zn3 Zn3 2.857(3) 7_645
Zn3 Zn3 2.857(3) 7_655
Zn3 La2 3.561(2) 3
Zn3 La2 3.561(2) 3_545
Zn4 Zn4 0.909(8) 5
Zn4 P1 2.401(5) .
Zn4 P1 2.402(5) 5
Zn4 P5 2.747(5) 7
Zn4 P5 2.747(5) 3_455
Zn4 Zn2 2.956(3) 3_455
Zn4 Zn2 2.956(3) 7
P1 Zn4 2.401(5) 5
P1 Zn2 2.428(3) 3_455
P1 Zn2 2.428(3) 3_445
P1 La2 3.010(3) 3_445
P1 La2 3.010(3) 3_455
P2 P2 0.693(10) 6
P2 P3 2.158(8) .
P2 P3 2.222(8) 6
P2 Zn1 2.487(6) 5_556
P2 La2 2.942(6) 7_556
P2 La1 2.956(6) 7_556
P2 La2 3.394(5) 7_546
P2 La1 3.406(6) 7_546
P3 P3 0.400(16) 6
P3 P2 2.222(8) 6
P3 Zn3 2.492(5) 5_656
P3 Zn2 2.498(6) 5_656
P3 La1 2.966(6) 7_556
P3 La2 2.987(6) 7_556
P3 La1 3.233(6) 7_546
P3 La2 3.252(7) 7_546
P4 Zn1 2.406(3) 7_556
P4 Zn1 2.406(3) 7_546
P4 La1 2.971(3) 7_546
P4 La1 2.971(3) 7_556
P4 La2 2.986(5) 5_656
P5 Zn3 2.387(3) 3_445
P5 Zn3 2.387(3) 3_455
P5 Zn2 2.394(5) 5_655
P5 Zn3 2.510(5) 5_655
P5 Zn4 2.747(5) 7
P5 Zn4 2.747(5) 3_545
