#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/70/7037024.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_7037024
loop_
_publ_author_name
'Lin, Xinsong'
'Tabassum, Danisa'
'Mar, Arthur'
_publ_section_title
;
 Narrowing the gap: from semiconductor to semimetal in the homologous
 series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and
 Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd,
 Sm, Gd).
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20254
_journal_page_last               20264
_journal_paper_doi               10.1039/c5dt03596a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_structural     'Nd4.40 Zn4 As7'
_chemical_formula_sum            'As7 Nd4.4 Zn4'
_chemical_formula_weight         1420.58
_chemical_name_common            'neodymium zinc arsenide (4.4/4/7)'
_chemical_name_systematic        'neodymium zinc arsenide (4.4/4/7)'
_space_group_crystal_system      trigonal
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.197(3)
_cell_length_b                   4.197(3)
_cell_length_c                   24.204(15)
_cell_measurement_reflns_used    1324
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.54
_cell_measurement_theta_min      5.05
_cell_volume                     369.2(4)
_computing_cell_refinement       'Bruker SAINT 7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX 2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT 7.68A'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker PLATFORM/SMART APEX II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            4144
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.132
_diffrn_reflns_theta_min         1.683
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    37.073
_exptl_absorpt_correction_T_max  0.4516
_exptl_absorpt_correction_T_min  0.1530
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL (Sheldrick, 2013)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             615
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.046
_exptl_crystal_size_min          0.028
_refine_diff_density_max         2.751
_refine_diff_density_min         -3.546
_refine_diff_density_rms         0.364
_refine_ls_extinction_coef       0.00098(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   1.061
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0116P)²+2.8482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0513
_reflns_Friedel_coverage         0.000
_reflns_number_gt                480
_reflns_number_total             647
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03596a4.cif
_cod_data_source_block           Nd5-xZn4As7
_cod_depositor_comments
'Adding full bibliography for 7037017--7037025.cif.'
_cod_original_cell_volume        369.2(5)
_cod_original_formula_sum        'As7 Nd4.40 Zn4'
_cod_database_code               7037024
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.167
_shelx_estimated_absorpt_t_max   0.423
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Nd1 Nd 0.3333 0.6667 0.07145(2) 0.00725(13) Uani 1 6 d S T P
Nd2 Nd 0.0000 0.0000 0.21498(2) 0.00821(14) Uani 1 6 d S T P
Nd3 Nd 0.0000 0.0000 0.5000 0.0112(6) Uani 0.410(4) 12 d S T .
Zn1A Zn 0.3333 0.6667 0.40538(10) 0.0279(5) Uani 0.830(4) 6 d S T P
Zn1B Zn 0.3333 0.6667 0.4550(5) 0.0279(5) Uani 0.170(4) 6 d S T P
Zn2 Zn 0.3333 0.6667 0.67457(6) 0.0169(3) Uani 1 6 d S T P
As1 As 0.3333 0.6667 0.28933(5) 0.0087(2) Uani 1 6 d S T P
As2 As 0.3333 0.6667 0.57088(5) 0.0116(2) Uani 1 6 d S T P
As3 As 0.3333 0.6667 0.85542(4) 0.0067(2) Uani 1 6 d S T P
As4 As 0.0000 0.0000 0.0000 0.0067(3) Uani 1 12 d S T P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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
As4 Nd1 As4 89.64(4) 1_565 .
As4 Nd1 As4 89.64(4) 1_565 1_665
As4 Nd1 As4 89.64(4) . 1_665
As4 Nd1 As3 179.37(3) 1_565 7_666
As4 Nd1 As3 90.81(4) . 7_666
As4 Nd1 As3 90.81(4) 1_665 7_666
As4 Nd1 As3 90.81(4) 1_565 7_676
As4 Nd1 As3 179.37(3) . 7_676
As4 Nd1 As3 90.81(4) 1_665 7_676
As3 Nd1 As3 88.74(4) 7_666 7_676
As4 Nd1 As3 90.81(4) 1_565 7_566
As4 Nd1 As3 90.81(4) . 7_566
As4 Nd1 As3 179.37(3) 1_665 7_566
As3 Nd1 As3 88.74(4) 7_666 7_566
As3 Nd1 As3 88.74(4) 7_676 7_566
As3 Nd2 As3 90.20(4) 7_556 7_666
As3 Nd2 As3 90.20(4) 7_556 7_566
As3 Nd2 As3 90.20(4) 7_666 7_566
As3 Nd2 As1 178.52(3) 7_556 .
As3 Nd2 As1 90.84(4) 7_666 .
As3 Nd2 As1 90.84(4) 7_566 .
As3 Nd2 As1 90.84(4) 7_556 1_445
As3 Nd2 As1 178.52(3) 7_666 1_445
As3 Nd2 As1 90.84(4) 7_566 1_445
As1 Nd2 As1 88.10(4) . 1_445
As3 Nd2 As1 90.84(4) 7_556 1_545
As3 Nd2 As1 90.84(4) 7_666 1_545
As3 Nd2 As1 178.52(3) 7_566 1_545
As1 Nd2 As1 88.10(4) . 1_545
As1 Nd2 As1 88.09(4) 1_445 1_545
As3 Nd2 Zn2 134.50(2) 7_556 7_666
As3 Nd2 Zn2 82.93(5) 7_666 7_666
As3 Nd2 Zn2 134.50(2) 7_566 7_666
As1 Nd2 Zn2 44.66(2) . 7_666
As1 Nd2 Zn2 95.59(6) 1_445 7_666
As1 Nd2 Zn2 44.66(2) 1_545 7_666
As3 Nd2 Zn2 82.93(5) 7_556 7_556
As3 Nd2 Zn2 134.50(2) 7_666 7_556
As3 Nd2 Zn2 134.50(2) 7_566 7_556
As1 Nd2 Zn2 95.59(6) . 7_556
As1 Nd2 Zn2 44.65(2) 1_445 7_556
As1 Nd2 Zn2 44.66(2) 1_545 7_556
Zn2 Nd2 Zn2 71.12(5) 7_666 7_556
As3 Nd2 Zn2 134.50(2) 7_556 7_566
As3 Nd2 Zn2 134.50(2) 7_666 7_566
As3 Nd2 Zn2 82.93(5) 7_566 7_566
As1 Nd2 Zn2 44.66(2) . 7_566
As1 Nd2 Zn2 44.66(2) 1_445 7_566
As1 Nd2 Zn2 95.59(6) 1_545 7_566
Zn2 Nd2 Zn2 71.12(5) 7_666 7_566
Zn2 Nd2 Zn2 71.12(5) 7_556 7_566
Zn1B Nd3 Zn1B 75.7(3) . 7_666
Zn1B Nd3 Zn1B 104.3(3) . 1_445
Zn1B Nd3 Zn1B 180.0 7_666 1_445
Zn1B Nd3 Zn1B 180.0 . 7_556
Zn1B Nd3 Zn1B 104.3(3) 7_666 7_556
Zn1B Nd3 Zn1B 75.7(3) 1_445 7_556
Zn1B Nd3 Zn1B 75.7(3) . 7_566
Zn1B Nd3 Zn1B 104.3(3) 7_666 7_566
Zn1B Nd3 Zn1B 75.7(3) 1_445 7_566
Zn1B Nd3 Zn1B 104.3(3) 7_556 7_566
Zn1B Nd3 Zn1B 104.3(3) . 1_545
Zn1B Nd3 Zn1B 75.7(3) 7_666 1_545
Zn1B Nd3 Zn1B 104.3(3) 1_445 1_545
Zn1B Nd3 Zn1B 75.7(3) 7_556 1_545
Zn1B Nd3 Zn1B 180.0(5) 7_566 1_545
Zn1B Nd3 As2 120.5(2) . 7_556
Zn1B Nd3 As2 127.53(11) 7_666 7_556
Zn1B Nd3 As2 52.47(11) 1_445 7_556
Zn1B Nd3 As2 59.5(2) 7_556 7_556
Zn1B Nd3 As2 127.53(11) 7_566 7_556
Zn1B Nd3 As2 52.47(11) 1_545 7_556
Zn1B Nd3 As2 52.47(11) . 7_666
Zn1B Nd3 As2 59.5(2) 7_666 7_666
Zn1B Nd3 As2 120.5(2) 1_445 7_666
Zn1B Nd3 As2 127.53(11) 7_556 7_666
Zn1B Nd3 As2 127.53(11) 7_566 7_666
Zn1B Nd3 As2 52.47(11) 1_545 7_666
As2 Nd3 As2 89.95(4) 7_556 7_666
Zn1B Nd3 As2 127.53(11) . 1_445
Zn1B Nd3 As2 120.5(2) 7_666 1_445
Zn1B Nd3 As2 59.5(2) 1_445 1_445
Zn1B Nd3 As2 52.47(11) 7_556 1_445
Zn1B Nd3 As2 52.47(11) 7_566 1_445
Zn1B Nd3 As2 127.53(11) 1_545 1_445
As2 Nd3 As2 90.05(4) 7_556 1_445
As2 Nd3 As2 180.0 7_666 1_445
Zn1B Nd3 As2 59.5(2) . .
Zn1B Nd3 As2 52.47(11) 7_666 .
Zn1B Nd3 As2 127.53(11) 1_445 .
Zn1B Nd3 As2 120.5(2) 7_556 .
Zn1B Nd3 As2 52.47(11) 7_566 .
Zn1B Nd3 As2 127.53(11) 1_545 .
As2 Nd3 As2 180.0 7_556 .
As2 Nd3 As2 90.05(4) 7_666 .
As2 Nd3 As2 89.95(4) 1_445 .
Zn1B Nd3 As2 52.47(11) . 7_566
Zn1B Nd3 As2 127.53(11) 7_666 7_566
Zn1B Nd3 As2 52.47(11) 1_445 7_566
Zn1B Nd3 As2 127.53(11) 7_556 7_566
Zn1B Nd3 As2 59.5(2) 7_566 7_566
Zn1B Nd3 As2 120.5(2) 1_545 7_566
As2 Nd3 As2 89.95(4) 7_556 7_566
As2 Nd3 As2 89.95(4) 7_666 7_566
As2 Nd3 As2 90.05(4) 1_445 7_566
As2 Nd3 As2 90.05(4) . 7_566
Zn1B Nd3 As2 127.53(11) . 1_545
Zn1B Nd3 As2 52.47(11) 7_666 1_545
Zn1B Nd3 As2 127.53(11) 1_445 1_545
Zn1B Nd3 As2 52.47(11) 7_556 1_545
Zn1B Nd3 As2 120.5(2) 7_566 1_545
Zn1B Nd3 As2 59.5(2) 1_545 1_545
As2 Nd3 As2 90.05(4) 7_556 1_545
As2 Nd3 As2 90.05(4) 7_666 1_545
As2 Nd3 As2 89.95(4) 1_445 1_545
As2 Nd3 As2 89.95(4) . 1_545
As2 Nd3 As2 180.00(4) 7_566 1_545
Zn1B Zn1A As2 76.66(6) . 7_666
Zn1B Zn1A As2 76.66(6) . 7_676
As2 Zn1A As2 114.84(5) 7_666 7_676
Zn1B Zn1A As2 76.66(6) . 7_566
As2 Zn1A As2 114.84(5) 7_666 7_566
As2 Zn1A As2 114.84(5) 7_676 7_566
Zn1B Zn1A As1 180.0 . .
As2 Zn1A As1 103.34(6) 7_666 .
As2 Zn1A As1 103.34(6) 7_676 .
As2 Zn1A As1 103.34(6) 7_566 .
Zn1B Zn1A Zn2 128.61(5) . 7_666
As2 Zn1A Zn2 51.96(5) 7_666 7_666
As2 Zn1A Zn2 121.61(4) 7_676 7_666
As2 Zn1A Zn2 121.61(4) 7_566 7_666
As1 Zn1A Zn2 51.39(5) . 7_666
Zn1B Zn1A Zn2 128.61(5) . 7_566
As2 Zn1A Zn2 121.61(4) 7_666 7_566
As2 Zn1A Zn2 121.61(4) 7_676 7_566
As2 Zn1A Zn2 51.96(5) 7_566 7_566
As1 Zn1A Zn2 51.39(5) . 7_566
Zn2 Zn1A Zn2 85.17(7) 7_666 7_566
Zn1B Zn1A Zn2 128.61(5) . 7_676
As2 Zn1A Zn2 121.61(4) 7_666 7_676
As2 Zn1A Zn2 51.96(5) 7_676 7_676
As2 Zn1A Zn2 121.61(4) 7_566 7_676
As1 Zn1A Zn2 51.39(5) . 7_676
Zn2 Zn1A Zn2 85.17(7) 7_666 7_676
Zn2 Zn1A Zn2 85.17(7) 7_566 7_676
Zn1B Zn1A Nd3 46.61(4) . 1_665
As2 Zn1A Nd3 59.20(4) 7_666 1_665
As2 Zn1A Nd3 59.20(4) 7_676 1_665
As2 Zn1A Nd3 123.27(9) 7_566 1_665
As1 Zn1A Nd3 133.39(4) . 1_665
Zn2 Zn1A Nd3 98.32(4) 7_666 1_665
Zn2 Zn1A Nd3 175.22(7) 7_566 1_665
Zn2 Zn1A Nd3 98.32(4) 7_676 1_665
Zn1B Zn1A Nd3 46.61(4) . 1_565
As2 Zn1A Nd3 123.27(9) 7_666 1_565
As2 Zn1A Nd3 59.20(4) 7_676 1_565
As2 Zn1A Nd3 59.20(4) 7_566 1_565
As1 Zn1A Nd3 133.39(4) . 1_565
Zn2 Zn1A Nd3 175.23(7) 7_666 1_565
Zn2 Zn1A Nd3 98.32(4) 7_566 1_565
Zn2 Zn1A Nd3 98.32(4) 7_676 1_565
Nd3 Zn1A Nd3 78.01(6) 1_665 1_565
Zn1B Zn1A Nd3 46.61(4) . .
As2 Zn1A Nd3 59.20(4) 7_666 .
As2 Zn1A Nd3 123.27(9) 7_676 .
As2 Zn1A Nd3 59.20(4) 7_566 .
As1 Zn1A Nd3 133.39(4) . .
Zn2 Zn1A Nd3 98.32(4) 7_666 .
Zn2 Zn1A Nd3 98.32(4) 7_566 .
Zn2 Zn1A Nd3 175.22(7) 7_676 .
Nd3 Zn1A Nd3 78.01(6) 1_665 .
Nd3 Zn1A Nd3 78.01(6) 1_565 .
Zn1A Zn1B As2 75.5(3) . 7_666
Zn1A Zn1B As2 75.5(3) . 7_566
As2 Zn1B As2 114.0(2) 7_666 7_566
Zn1A Zn1B As2 75.5(3) . 7_676
As2 Zn1B As2 114.0(2) 7_666 7_676
As2 Zn1B As2 114.0(2) 7_566 7_676
Zn1A Zn1B Nd3 114.2(2) . 1_565
As2 Zn1B Nd3 170.3(5) 7_666 1_565
As2 Zn1B Nd3 70.19(4) 7_566 1_565
As2 Zn1B Nd3 70.19(4) 7_676 1_565
Zn1A Zn1B Nd3 114.2(2) . 1_665
As2 Zn1B Nd3 70.19(4) 7_666 1_665
As2 Zn1B Nd3 170.3(5) 7_566 1_665
As2 Zn1B Nd3 70.19(4) 7_676 1_665
Nd3 Zn1B Nd3 104.3(3) 1_565 1_665
Zn1A Zn1B Nd3 114.2(2) . .
As2 Zn1B Nd3 70.19(4) 7_666 .
As2 Zn1B Nd3 70.19(4) 7_566 .
As2 Zn1B Nd3 170.3(5) 7_676 .
Nd3 Zn1B Nd3 104.3(3) 1_565 .
Nd3 Zn1B Nd3 104.3(3) 1_665 .
Zn1A Zn1B As2 180.0 . .
As2 Zn1B As2 104.5(3) 7_666 .
As2 Zn1B As2 104.5(3) 7_566 .
As2 Zn1B As2 104.5(3) 7_676 .
Nd3 Zn1B As2 65.8(2) 1_565 .
Nd3 Zn1B As2 65.8(2) 1_665 .
Nd3 Zn1B As2 65.8(2) . .
As2 Zn2 As1 109.83(4) . 7_666
As2 Zn2 As1 109.83(4) . 7_676
As1 Zn2 As1 109.11(4) 7_666 7_676
As2 Zn2 As1 109.83(4) . 7_566
As1 Zn2 As1 109.11(4) 7_666 7_566
As1 Zn2 As1 109.11(4) 7_676 7_566
As2 Zn2 Zn1A 51.39(5) . 7_666
As1 Zn2 Zn1A 58.45(6) 7_666 7_666
As1 Zn2 Zn1A 125.40(2) 7_676 7_666
As1 Zn2 Zn1A 125.40(2) 7_566 7_666
As2 Zn2 Zn1A 51.39(5) . 7_566
As1 Zn2 Zn1A 125.40(2) 7_666 7_566
As1 Zn2 Zn1A 125.40(2) 7_676 7_566
As1 Zn2 Zn1A 58.44(6) 7_566 7_566
Zn1A Zn2 Zn1A 85.17(7) 7_666 7_566
As2 Zn2 Zn1A 51.39(5) . 7_676
As1 Zn2 Zn1A 125.40(2) 7_666 7_676
As1 Zn2 Zn1A 58.44(6) 7_676 7_676
As1 Zn2 Zn1A 125.40(2) 7_566 7_676
Zn1A Zn2 Zn1A 85.17(7) 7_666 7_676
Zn1A Zn2 Zn1A 85.17(7) 7_566 7_676
As2 Zn2 Nd2 137.81(3) . 7_666
As1 Zn2 Nd2 55.44(3) 7_666 7_666
As1 Zn2 Nd2 55.44(3) 7_676 7_666
As1 Zn2 Nd2 112.35(7) 7_566 7_666
Zn1A Zn2 Nd2 101.54(5) 7_666 7_666
Zn1A Zn2 Nd2 170.80(5) 7_566 7_666
Zn1A Zn2 Nd2 101.54(5) 7_676 7_666
As2 Zn2 Nd2 137.81(3) . 7_566
As1 Zn2 Nd2 112.35(7) 7_666 7_566
As1 Zn2 Nd2 55.44(3) 7_676 7_566
As1 Zn2 Nd2 55.44(3) 7_566 7_566
Zn1A Zn2 Nd2 170.80(5) 7_666 7_566
Zn1A Zn2 Nd2 101.54(5) 7_566 7_566
Zn1A Zn2 Nd2 101.54(5) 7_676 7_566
Nd2 Zn2 Nd2 71.12(5) 7_666 7_566
As2 Zn2 Nd2 137.81(3) . 7_556
As1 Zn2 Nd2 55.44(3) 7_666 7_556
As1 Zn2 Nd2 112.35(7) 7_676 7_556
As1 Zn2 Nd2 55.44(3) 7_566 7_556
Zn1A Zn2 Nd2 101.54(5) 7_666 7_556
Zn1A Zn2 Nd2 101.54(5) 7_566 7_556
Zn1A Zn2 Nd2 170.80(5) 7_676 7_556
Nd2 Zn2 Nd2 71.12(5) 7_666 7_556
Nd2 Zn2 Nd2 71.12(5) 7_566 7_556
Zn2 As1 Zn2 109.11(4) 7_666 7_676
Zn2 As1 Zn2 109.11(4) 7_666 7_566
Zn2 As1 Zn2 109.11(4) 7_676 7_566
Zn2 As1 Zn1A 70.17(4) 7_666 .
Zn2 As1 Zn1A 70.17(4) 7_676 .
Zn2 As1 Zn1A 70.17(4) 7_566 .
Zn2 As1 Nd2 79.90(3) 7_666 .
Zn2 As1 Nd2 163.23(5) 7_676 .
Zn2 As1 Nd2 79.90(3) 7_566 .
Zn1A As1 Nd2 126.60(3) . .
Zn2 As1 Nd2 163.23(5) 7_666 1_565
Zn2 As1 Nd2 79.90(3) 7_676 1_565
Zn2 As1 Nd2 79.90(3) 7_566 1_565
Zn1A As1 Nd2 126.60(3) . 1_565
Nd2 As1 Nd2 88.09(4) . 1_565
Zn2 As1 Nd2 79.90(3) 7_666 1_665
Zn2 As1 Nd2 79.90(3) 7_676 1_665
Zn2 As1 Nd2 163.23(5) 7_566 1_665
Zn1A As1 Nd2 126.60(3) . 1_665
Nd2 As1 Nd2 88.09(4) . 1_665
Nd2 As1 Nd2 88.09(4) 1_565 1_665
Zn1A As2 Zn1A 114.84(5) 7_666 7_676
Zn1A As2 Zn1A 114.84(5) 7_666 7_566
Zn1A As2 Zn1A 114.84(5) 7_676 7_566
Zn1A As2 Zn1B 27.8(3) 7_666 7_666
Zn1A As2 Zn1B 121.92(3) 7_676 7_666
Zn1A As2 Zn1B 121.92(3) 7_566 7_666
Zn1A As2 Zn1B 121.92(3) 7_666 7_566
Zn1A As2 Zn1B 121.92(3) 7_676 7_566
Zn1A As2 Zn1B 27.8(3) 7_566 7_566
Zn1B As2 Zn1B 114.0(2) 7_666 7_566
Zn1A As2 Zn1B 121.92(3) 7_666 7_676
Zn1A As2 Zn1B 27.8(3) 7_676 7_676
Zn1A As2 Zn1B 121.92(3) 7_566 7_676
Zn1B As2 Zn1B 114.0(2) 7_666 7_676
Zn1B As2 Zn1B 114.0(2) 7_566 7_676
Zn1A As2 Zn2 76.66(6) 7_666 .
Zn1A As2 Zn2 76.66(6) 7_676 .
Zn1A As2 Zn2 76.66(6) 7_566 .
Zn1B As2 Zn2 104.5(3) 7_666 .
Zn1B As2 Zn2 104.5(3) 7_566 .
Zn1B As2 Zn2 104.5(3) 7_676 .
Zn1A As2 Zn1B 103.34(6) 7_666 .
Zn1A As2 Zn1B 103.34(6) 7_676 .
Zn1A As2 Zn1B 103.34(6) 7_566 .
Zn1B As2 Zn1B 75.5(3) 7_666 .
Zn1B As2 Zn1B 75.5(3) 7_566 .
Zn1B As2 Zn1B 75.5(3) 7_676 .
Zn2 As2 Zn1B 180.0 . .
Zn1A As2 Nd3 74.71(4) 7_666 .
Zn1A As2 Nd3 158.04(7) 7_676 .
Zn1A As2 Nd3 74.71(4) 7_566 .
Zn1B As2 Nd3 57.34(14) 7_666 .
Zn1B As2 Nd3 57.35(14) 7_566 .
Zn1B As2 Nd3 130.2(3) 7_676 .
Zn2 As2 Nd3 125.30(3) . .
Zn1B As2 Nd3 54.70(3) . .
Zn1A As2 Nd3 158.04(7) 7_666 1_565
Zn1A As2 Nd3 74.71(4) 7_676 1_565
Zn1A As2 Nd3 74.71(4) 7_566 1_565
Zn1B As2 Nd3 130.2(3) 7_666 1_565
Zn1B As2 Nd3 57.34(14) 7_566 1_565
Zn1B As2 Nd3 57.34(14) 7_676 1_565
Zn2 As2 Nd3 125.30(3) . 1_565
Zn1B As2 Nd3 54.70(3) . 1_565
Nd3 As2 Nd3 89.95(4) . 1_565
Zn1A As2 Nd3 74.71(4) 7_666 1_665
Zn1A As2 Nd3 74.71(4) 7_676 1_665
Zn1A As2 Nd3 158.04(7) 7_566 1_665
Zn1B As2 Nd3 57.34(14) 7_666 1_665
Zn1B As2 Nd3 130.2(3) 7_566 1_665
Zn1B As2 Nd3 57.35(14) 7_676 1_665
Zn2 As2 Nd3 125.30(3) . 1_665
Zn1B As2 Nd3 54.70(3) . 1_665
Nd3 As2 Nd3 89.95(4) . 1_665
Nd3 As2 Nd3 89.95(4) 1_565 1_665
Nd2 As3 Nd2 90.20(4) 7_566 7_556
Nd2 As3 Nd2 90.20(4) 7_566 7_666
Nd2 As3 Nd2 90.20(4) 7_556 7_666
Nd2 As3 Nd1 178.97(4) 7_566 7_666
Nd2 As3 Nd1 90.52(4) 7_556 7_666
Nd2 As3 Nd1 90.52(4) 7_666 7_666
Nd2 As3 Nd1 90.52(4) 7_566 7_676
Nd2 As3 Nd1 178.97(4) 7_556 7_676
Nd2 As3 Nd1 90.52(4) 7_666 7_676
Nd1 As3 Nd1 88.74(4) 7_666 7_676
Nd2 As3 Nd1 90.52(4) 7_566 7_566
Nd2 As3 Nd1 90.52(4) 7_556 7_566
Nd2 As3 Nd1 178.97(4) 7_666 7_566
Nd1 As3 Nd1 88.74(4) 7_666 7_566
Nd1 As3 Nd1 88.74(4) 7_676 7_566
Nd1 As4 Nd1 89.64(4) 7 7_665
Nd1 As4 Nd1 90.36(4) 7 1_445
Nd1 As4 Nd1 180.000(19) 7_665 1_445
Nd1 As4 Nd1 90.36(4) 7 1_545
Nd1 As4 Nd1 90.36(4) 7_665 1_545
Nd1 As4 Nd1 89.64(4) 1_445 1_545
Nd1 As4 Nd1 89.64(4) 7 7_565
Nd1 As4 Nd1 89.64(4) 7_665 7_565
Nd1 As4 Nd1 90.36(4) 1_445 7_565
Nd1 As4 Nd1 180.000(19) 1_545 7_565
Nd1 As4 Nd1 180.0 7 .
Nd1 As4 Nd1 90.36(4) 7_665 .
Nd1 As4 Nd1 89.64(4) 1_445 .
Nd1 As4 Nd1 89.64(4) 1_545 .
Nd1 As4 Nd1 90.36(4) 7_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 As4 2.9768(14) 1_565
Nd1 As4 2.9768(14) .
Nd1 As4 2.9768(14) 1_665
Nd1 As3 3.0005(16) 7_666
Nd1 As3 3.0006(16) 7_676
Nd1 As3 3.0006(16) 7_566
Nd2 As3 2.9622(16) 7_556
Nd2 As3 2.9622(16) 7_666
Nd2 As3 2.9622(16) 7_566
Nd2 As1 3.0180(16) .
Nd2 As1 3.0180(16) 1_445
Nd2 As1 3.0181(16) 1_545
Nd2 Zn2 3.608(2) 7_666
Nd2 Zn2 3.608(2) 7_556
Nd2 Zn2 3.608(2) 7_566
Nd3 Zn1B 2.657(5) .
Nd3 Zn1B 2.657(5) 7_666
Nd3 Zn1B 2.657(5) 1_445
Nd3 Zn1B 2.657(5) 7_556
Nd3 Zn1B 2.657(5) 7_566
Nd3 Zn1B 2.657(5) 1_545
Nd3 As2 2.9687(15) 7_556
Nd3 As2 2.9687(15) 7_666
Nd3 As2 2.9687(15) 1_445
Nd3 As2 2.9687(15) .
Nd3 As2 2.9688(16) 7_566
Nd3 As2 2.9688(16) 1_545
Zn1A Zn1B 1.200(12) .
Zn1A As2 2.4901(16) 7_666
Zn1A As2 2.4901(16) 7_676
Zn1A As2 2.4901(16) 7_566
Zn1A As1 2.809(3) .
Zn1A Zn2 3.101(2) 7_666
Zn1A Zn2 3.101(2) 7_566
Zn1A Zn2 3.101(2) 7_676
Zn1A Nd3 3.334(2) 1_665
Zn1A Nd3 3.334(2) 1_565
Zn1B As2 2.502(3) 7_666
Zn1B As2 2.502(3) 7_566
Zn1B As2 2.502(3) 7_676
Zn1B Nd3 2.657(5) 1_565
Zn1B Nd3 2.657(5) 1_665
Zn1B As2 2.805(12) .
Zn2 As2 2.510(2) .
Zn2 As1 2.5756(16) 7_666
Zn2 As1 2.5757(16) 7_676
Zn2 As1 2.5757(16) 7_566
Zn2 Zn1A 3.101(2) 7_666
Zn2 Zn1A 3.101(2) 7_566
Zn2 Zn1A 3.101(2) 7_676
Zn2 Nd2 3.608(2) 7_666
Zn2 Nd2 3.608(2) 7_566
Zn2 Nd2 3.608(2) 7_556
As1 Zn2 2.5757(16) 7_666
As1 Zn2 2.5757(16) 7_676
As1 Zn2 2.5757(16) 7_566
As1 Nd2 3.0181(16) 1_565
As1 Nd2 3.0181(16) 1_665
As2 Zn1A 2.4901(16) 7_666
As2 Zn1A 2.4901(16) 7_676
As2 Zn1A 2.4901(16) 7_566
As2 Zn1B 2.502(3) 7_666
As2 Zn1B 2.502(3) 7_566
As2 Zn1B 2.502(3) 7_676
As2 Nd3 2.9687(16) 1_565
As2 Nd3 2.9687(15) 1_665
As3 Nd2 2.9622(16) 7_566
As3 Nd2 2.9622(15) 7_556
As3 Nd2 2.9622(16) 7_666
As3 Nd1 3.0005(16) 7_666
As3 Nd1 3.0006(16) 7_676
As3 Nd1 3.0006(16) 7_566
As4 Nd1 2.9768(14) 7
As4 Nd1 2.9768(14) 7_665
As4 Nd1 2.9768(14) 1_445
As4 Nd1 2.9768(14) 1_545
As4 Nd1 2.9768(14) 7_565
