#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:36:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/05/4340519.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_4340519
loop_
_publ_author_name
'Lin, Xinsong'
'Tabassum, Danisa'
'Rudyk, Brent W.'
'Mar, Arthur'
_publ_section_title
;
 Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE =
 Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8431
_journal_page_last               8441
_journal_paper_doi               10.1021/ic501053v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_structural     'La1.23 Mn0.93 Zn3.07 As4'
_chemical_formula_sum            'As4 La1.23 Mn0.93 Zn3.07'
_chemical_formula_weight         722.32
_chemical_name_common
'lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)'
_chemical_name_systematic
'lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)'
_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                   4.159(2)
_cell_length_b                   4.159(2)
_cell_length_c                   13.639(7)
_cell_measurement_reflns_used    1714
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.83
_cell_measurement_theta_min      5.66
_cell_volume                     204.31(17)
_computing_cell_refinement       'Bruker SAINT 8.32B (Bruker, 2011)'
_computing_data_collection       'Bruker APEX 2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT 8.32B'
_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 0.994
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker PLATFORM/SMART APEX II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2919
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.190
_diffrn_reflns_theta_min         2.987
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    32.531
_exptl_absorpt_correction_T_max  0.6229
_exptl_absorpt_correction_T_min  0.3768
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.870
_exptl_crystal_description       irregular
_exptl_crystal_F_000             317
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.037
_exptl_crystal_size_min          0.028
_refine_diff_density_max         3.037
_refine_diff_density_min         -3.395
_refine_diff_density_rms         0.451
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0519
_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)+(0.0273P)²+6.9917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1127
_reflns_Friedel_coverage         0.000
_reflns_number_gt                318
_reflns_number_total             359
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic501053v_si_003.cif
_cod_data_source_block           La(Mn,Zn)4As4
_cod_depositor_comments
'Adding full bibliography for 4340510--4340524.cif.'
_cod_original_cell_volume        204.3(2)
_cod_database_code               4340519
#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   0.219
_shelx_estimated_absorpt_t_max   0.463
_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
La1 La 0.0000 0.0000 0.5000 0.039(3) Uani 0.246(10) 12 d S T .
La2 La 0.0000 0.0000 0.0000 0.0165(4) Uani 1 12 d S T P
Zn1 Zn 0.3333 0.6667 0.3364(4) 0.0230(16) Uani 0.534(12) 6 d S T P
Zn2 Zn 0.3333 0.6667 0.79987(16) 0.0186(5) Uani 1 6 d S T P
Mn1 Mn 0.3333 0.6667 0.4095(8) 0.034(3) Uani 0.466(12) 6 d S T P
As1 As 0.3333 0.6667 0.13326(12) 0.0125(4) Uani 1 6 d S T P
As2 As 0.3333 0.6667 0.61635(14) 0.0180(4) Uani 1 6 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
Mn Mn 0.3368 0.7283 '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'
As As 0.0499 2.0058 '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
Mn1 La1 Mn1 180.0 7_666 1_445
Mn1 La1 Mn1 100.7(3) 7_666 7_556
Mn1 La1 Mn1 79.3(3) 1_445 7_556
Mn1 La1 Mn1 79.3(3) 7_666 .
Mn1 La1 Mn1 100.7(3) 1_445 .
Mn1 La1 Mn1 180.0 7_556 .
Mn1 La1 Mn1 100.7(3) 7_666 7_566
Mn1 La1 Mn1 79.3(3) 1_445 7_566
Mn1 La1 Mn1 100.7(3) 7_556 7_566
Mn1 La1 Mn1 79.3(3) . 7_566
Mn1 La1 Mn1 79.3(3) 7_666 1_545
Mn1 La1 Mn1 100.7(3) 1_445 1_545
Mn1 La1 Mn1 79.3(3) 7_556 1_545
Mn1 La1 Mn1 100.7(3) . 1_545
Mn1 La1 Mn1 180.0(4) 7_566 1_545
Mn1 La1 As2 128.54(8) 7_666 7_556
Mn1 La1 As2 51.46(8) 1_445 7_556
Mn1 La1 As2 60.7(2) 7_556 7_556
Mn1 La1 As2 119.3(2) . 7_556
Mn1 La1 As2 128.54(8) 7_566 7_556
Mn1 La1 As2 51.46(8) 1_545 7_556
Mn1 La1 As2 60.7(2) 7_666 7_666
Mn1 La1 As2 119.3(2) 1_445 7_666
Mn1 La1 As2 128.54(8) 7_556 7_666
Mn1 La1 As2 51.46(8) . 7_666
Mn1 La1 As2 128.54(8) 7_566 7_666
Mn1 La1 As2 51.46(8) 1_545 7_666
As2 La1 As2 92.53(5) 7_556 7_666
Mn1 La1 As2 119.3(2) 7_666 1_445
Mn1 La1 As2 60.7(2) 1_445 1_445
Mn1 La1 As2 51.46(8) 7_556 1_445
Mn1 La1 As2 128.54(8) . 1_445
Mn1 La1 As2 51.46(8) 7_566 1_445
Mn1 La1 As2 128.54(8) 1_545 1_445
As2 La1 As2 87.47(5) 7_556 1_445
As2 La1 As2 180.0 7_666 1_445
Mn1 La1 As2 51.46(8) 7_666 .
Mn1 La1 As2 128.54(8) 1_445 .
Mn1 La1 As2 119.3(2) 7_556 .
Mn1 La1 As2 60.7(2) . .
Mn1 La1 As2 51.46(8) 7_566 .
Mn1 La1 As2 128.54(8) 1_545 .
As2 La1 As2 180.0 7_556 .
As2 La1 As2 87.47(5) 7_666 .
As2 La1 As2 92.53(5) 1_445 .
Mn1 La1 As2 128.54(8) 7_666 7_566
Mn1 La1 As2 51.46(8) 1_445 7_566
Mn1 La1 As2 128.54(8) 7_556 7_566
Mn1 La1 As2 51.46(8) . 7_566
Mn1 La1 As2 60.7(2) 7_566 7_566
Mn1 La1 As2 119.3(2) 1_545 7_566
As2 La1 As2 92.52(5) 7_556 7_566
As2 La1 As2 92.52(5) 7_666 7_566
As2 La1 As2 87.48(5) 1_445 7_566
As2 La1 As2 87.48(5) . 7_566
Mn1 La1 As2 51.46(8) 7_666 1_545
Mn1 La1 As2 128.54(8) 1_445 1_545
Mn1 La1 As2 51.46(8) 7_556 1_545
Mn1 La1 As2 128.54(8) . 1_545
Mn1 La1 As2 119.3(2) 7_566 1_545
Mn1 La1 As2 60.7(2) 1_545 1_545
As2 La1 As2 87.48(5) 7_556 1_545
As2 La1 As2 87.48(5) 7_666 1_545
As2 La1 As2 92.52(5) 1_445 1_545
As2 La1 As2 92.52(5) . 1_545
As2 La1 As2 180.00(6) 7_566 1_545
As1 La2 As1 87.34(5) 7 7_665
As1 La2 As1 92.66(5) 7 1_445
As1 La2 As1 180.00(5) 7_665 1_445
As1 La2 As1 180.00(5) 7 .
As1 La2 As1 92.66(5) 7_665 .
As1 La2 As1 87.34(5) 1_445 .
As1 La2 As1 87.34(5) 7 7_565
As1 La2 As1 87.34(5) 7_665 7_565
As1 La2 As1 92.66(5) 1_445 7_565
As1 La2 As1 92.66(5) . 7_565
As1 La2 As1 92.66(5) 7 1_545
As1 La2 As1 92.66(5) 7_665 1_545
As1 La2 As1 87.34(5) 1_445 1_545
As1 La2 As1 87.34(5) . 1_545
As1 La2 As1 180.00(5) 7_565 1_545
As1 La2 Zn2 135.76(2) 7 7_666
As1 La2 Zn2 85.78(5) 7_665 7_666
As1 La2 Zn2 94.22(5) 1_445 7_666
As1 La2 Zn2 44.24(2) . 7_666
As1 La2 Zn2 135.76(2) 7_565 7_666
As1 La2 Zn2 44.24(2) 1_545 7_666
As1 La2 Zn2 44.24(2) 7 1_444
As1 La2 Zn2 94.22(5) 7_665 1_444
As1 La2 Zn2 85.78(5) 1_445 1_444
As1 La2 Zn2 135.76(2) . 1_444
As1 La2 Zn2 44.24(2) 7_565 1_444
As1 La2 Zn2 135.76(2) 1_545 1_444
Zn2 La2 Zn2 180.00(5) 7_666 1_444
As1 La2 Zn2 85.78(5) 7 7_556
As1 La2 Zn2 135.76(2) 7_665 7_556
As1 La2 Zn2 44.24(2) 1_445 7_556
As1 La2 Zn2 94.22(5) . 7_556
As1 La2 Zn2 135.76(2) 7_565 7_556
As1 La2 Zn2 44.24(2) 1_545 7_556
Zn2 La2 Zn2 69.78(5) 7_666 7_556
Zn2 La2 Zn2 110.22(5) 1_444 7_556
As1 La2 Zn2 94.22(5) 7 1_554
As1 La2 Zn2 44.24(2) 7_665 1_554
As1 La2 Zn2 135.76(2) 1_445 1_554
As1 La2 Zn2 85.78(5) . 1_554
As1 La2 Zn2 44.24(2) 7_565 1_554
As1 La2 Zn2 135.76(2) 1_545 1_554
Zn2 La2 Zn2 110.22(5) 7_666 1_554
Zn2 La2 Zn2 69.78(5) 1_444 1_554
Zn2 La2 Zn2 180.0 7_556 1_554
As1 La2 Zn2 135.76(2) 7 7_566
As1 La2 Zn2 135.76(2) 7_665 7_566
As1 La2 Zn2 44.24(2) 1_445 7_566
As1 La2 Zn2 44.24(2) . 7_566
As1 La2 Zn2 85.78(5) 7_565 7_566
As1 La2 Zn2 94.22(5) 1_545 7_566
Zn2 La2 Zn2 69.78(5) 7_666 7_566
Zn2 La2 Zn2 110.22(5) 1_444 7_566
Zn2 La2 Zn2 69.78(5) 7_556 7_566
Zn2 La2 Zn2 110.22(5) 1_554 7_566
As1 La2 Zn2 44.24(2) 7 1_544
As1 La2 Zn2 44.24(2) 7_665 1_544
As1 La2 Zn2 135.76(2) 1_445 1_544
As1 La2 Zn2 135.76(2) . 1_544
As1 La2 Zn2 94.22(5) 7_565 1_544
As1 La2 Zn2 85.78(5) 1_545 1_544
Zn2 La2 Zn2 110.22(5) 7_666 1_544
Zn2 La2 Zn2 69.78(5) 1_444 1_544
Zn2 La2 Zn2 110.22(5) 7_556 1_544
Zn2 La2 Zn2 69.78(5) 1_554 1_544
Zn2 La2 Zn2 180.00(5) 7_566 1_544
Mn1 Zn1 As2 74.99(14) . 7_666
Mn1 Zn1 As2 74.99(14) . 7_676
As2 Zn1 As2 113.54(12) 7_666 7_676
Mn1 Zn1 As2 74.99(14) . 7_566
As2 Zn1 As2 113.54(12) 7_666 7_566
As2 Zn1 As2 113.54(12) 7_676 7_566
Mn1 Zn1 As1 180.0 . .
As2 Zn1 As1 105.01(14) 7_666 .
As2 Zn1 As1 105.01(14) 7_676 .
As2 Zn1 As1 105.01(14) 7_566 .
Mn1 Zn1 Zn2 127.75(10) . 7_666
As2 Zn1 Zn2 52.76(8) 7_666 7_666
As2 Zn1 Zn2 122.71(9) 7_676 7_666
As2 Zn1 Zn2 122.71(9) 7_566 7_666
As1 Zn1 Zn2 52.25(10) . 7_666
Mn1 Zn1 Zn2 127.75(10) . 7_566
As2 Zn1 Zn2 122.71(9) 7_666 7_566
As2 Zn1 Zn2 122.71(9) 7_676 7_566
As2 Zn1 Zn2 52.76(8) 7_566 7_566
As1 Zn1 Zn2 52.25(10) . 7_566
Zn2 Zn1 Zn2 86.43(14) 7_666 7_566
Mn1 Zn1 Zn2 127.75(10) . 7_676
As2 Zn1 Zn2 122.71(9) 7_666 7_676
As2 Zn1 Zn2 52.76(8) 7_676 7_676
As2 Zn1 Zn2 122.71(9) 7_566 7_676
As1 Zn1 Zn2 52.25(10) . 7_676
Zn2 Zn1 Zn2 86.43(14) 7_666 7_676
Zn2 Zn1 Zn2 86.43(14) 7_566 7_676
Mn1 Zn1 La1 47.11(8) . 1_665
As2 Zn1 La1 57.99(8) 7_666 1_665
As2 Zn1 La1 57.99(8) 7_676 1_665
As2 Zn1 La1 122.1(2) 7_566 1_665
As1 Zn1 La1 132.89(8) . 1_665
Zn2 Zn1 La1 97.30(4) 7_666 1_665
Zn2 Zn1 La1 174.86(17) 7_566 1_665
Zn2 Zn1 La1 97.30(4) 7_676 1_665
Mn1 Zn1 La1 47.11(8) . 1_565
As2 Zn1 La1 122.1(2) 7_666 1_565
As2 Zn1 La1 57.99(8) 7_676 1_565
As2 Zn1 La1 57.99(8) 7_566 1_565
As1 Zn1 La1 132.89(8) . 1_565
Zn2 Zn1 La1 174.86(17) 7_666 1_565
Zn2 Zn1 La1 97.30(4) 7_566 1_565
Zn2 Zn1 La1 97.30(4) 7_676 1_565
La1 Zn1 La1 78.77(12) 1_665 1_565
Mn1 Zn1 La1 47.11(8) . .
As2 Zn1 La1 57.99(8) 7_666 .
As2 Zn1 La1 122.1(2) 7_676 .
As2 Zn1 La1 57.99(8) 7_566 .
As1 Zn1 La1 132.89(8) . .
Zn2 Zn1 La1 97.30(4) 7_666 .
Zn2 Zn1 La1 97.30(4) 7_566 .
Zn2 Zn1 La1 174.86(17) 7_676 .
La1 Zn1 La1 78.77(12) 1_665 .
La1 Zn1 La1 78.77(12) 1_565 .
As2 Zn2 As1 110.80(6) . 7_666
As2 Zn2 As1 110.80(6) . 7_676
As1 Zn2 As1 108.11(6) 7_666 7_676
As2 Zn2 As1 110.80(6) . 7_566
As1 Zn2 As1 108.11(6) 7_666 7_566
As1 Zn2 As1 108.11(6) 7_676 7_566
As2 Zn2 Zn1 52.25(10) . 7_666
As1 Zn2 Zn1 58.55(10) 7_666 7_666
As1 Zn2 Zn1 125.94(3) 7_676 7_666
As1 Zn2 Zn1 125.94(3) 7_566 7_666
As2 Zn2 Zn1 52.25(10) . 7_566
As1 Zn2 Zn1 125.94(3) 7_666 7_566
As1 Zn2 Zn1 125.94(3) 7_676 7_566
As1 Zn2 Zn1 58.55(10) 7_566 7_566
Zn1 Zn2 Zn1 86.43(14) 7_666 7_566
As2 Zn2 Zn1 52.25(10) . 7_676
As1 Zn2 Zn1 125.94(3) 7_666 7_676
As1 Zn2 Zn1 58.55(10) 7_676 7_676
As1 Zn2 Zn1 125.94(3) 7_566 7_676
Zn1 Zn2 Zn1 86.43(14) 7_666 7_676
Zn1 Zn2 Zn1 86.43(14) 7_566 7_676
As2 Zn2 La2 138.66(3) . 1_666
As1 Zn2 La2 54.88(4) 7_666 1_666
As1 Zn2 La2 54.88(4) 7_676 1_666
As1 Zn2 La2 110.54(8) 7_566 1_666
Zn1 Zn2 La2 101.45(8) 7_666 1_666
Zn1 Zn2 La2 169.09(11) 7_566 1_666
Zn1 Zn2 La2 101.45(8) 7_676 1_666
As2 Zn2 La2 138.66(3) . 1_566
As1 Zn2 La2 110.54(8) 7_666 1_566
As1 Zn2 La2 54.88(4) 7_676 1_566
As1 Zn2 La2 54.88(4) 7_566 1_566
Zn1 Zn2 La2 169.09(11) 7_666 1_566
Zn1 Zn2 La2 101.45(8) 7_566 1_566
Zn1 Zn2 La2 101.45(8) 7_676 1_566
La2 Zn2 La2 69.78(5) 1_666 1_566
As2 Zn2 La2 138.66(3) . 1_556
As1 Zn2 La2 54.88(4) 7_666 1_556
As1 Zn2 La2 110.54(8) 7_676 1_556
As1 Zn2 La2 54.88(4) 7_566 1_556
Zn1 Zn2 La2 101.45(8) 7_666 1_556
Zn1 Zn2 La2 101.45(8) 7_566 1_556
Zn1 Zn2 La2 169.09(11) 7_676 1_556
La2 Zn2 La2 69.78(5) 1_666 1_556
La2 Zn2 La2 69.78(5) 1_566 1_556
Zn1 Mn1 As2 81.6(3) . 7_666
Zn1 Mn1 As2 81.6(3) . 7_566
As2 Mn1 As2 117.93(13) 7_666 7_566
Zn1 Mn1 As2 81.6(3) . 7_676
As2 Mn1 As2 117.93(13) 7_666 7_676
As2 Mn1 As2 117.93(13) 7_566 7_676
Zn1 Mn1 La1 117.2(2) . 1_565
As2 Mn1 La1 161.1(5) 7_666 1_565
As2 Mn1 La1 68.06(7) 7_566 1_565
As2 Mn1 La1 68.06(7) 7_676 1_565
Zn1 Mn1 La1 117.2(2) . 1_665
As2 Mn1 La1 68.06(7) 7_666 1_665
As2 Mn1 La1 161.1(5) 7_566 1_665
As2 Mn1 La1 68.06(7) 7_676 1_665
La1 Mn1 La1 100.7(3) 1_565 1_665
Zn1 Mn1 La1 117.2(2) . .
As2 Mn1 La1 68.06(7) 7_666 .
As2 Mn1 La1 68.06(7) 7_566 .
As2 Mn1 La1 161.1(5) 7_676 .
La1 Mn1 La1 100.7(3) 1_565 .
La1 Mn1 La1 100.7(3) 1_665 .
Zn1 Mn1 As2 180.0 . .
As2 Mn1 As2 98.4(3) 7_666 .
As2 Mn1 As2 98.4(3) 7_566 .
As2 Mn1 As2 98.4(3) 7_676 .
La1 Mn1 As2 62.8(2) 1_565 .
La1 Mn1 As2 62.8(2) 1_665 .
La1 Mn1 As2 62.8(2) . .
Zn2 As1 Zn2 108.12(6) 7_666 7_676
Zn2 As1 Zn2 108.12(6) 7_666 7_566
Zn2 As1 Zn2 108.11(6) 7_676 7_566
Zn2 As1 Zn1 69.20(6) 7_666 .
Zn2 As1 Zn1 69.20(6) 7_676 .
Zn2 As1 Zn1 69.20(6) 7_566 .
Zn2 As1 La2 80.88(4) 7_666 .
Zn2 As1 La2 163.67(8) 7_676 .
Zn2 As1 La2 80.88(4) 7_566 .
Zn1 As1 La2 127.12(3) . .
Zn2 As1 La2 163.67(8) 7_666 1_565
Zn2 As1 La2 80.88(4) 7_676 1_565
Zn2 As1 La2 80.88(4) 7_566 1_565
Zn1 As1 La2 127.12(3) . 1_565
La2 As1 La2 87.34(5) . 1_565
Zn2 As1 La2 80.88(4) 7_666 1_665
Zn2 As1 La2 80.88(4) 7_676 1_665
Zn2 As1 La2 163.67(8) 7_566 1_665
Zn1 As1 La2 127.12(3) . 1_665
La2 As1 La2 87.34(5) . 1_665
La2 As1 La2 87.34(5) 1_565 1_665
Mn1 As2 Mn1 117.93(13) 7_666 7_566
Mn1 As2 Mn1 117.93(13) 7_666 7_676
Mn1 As2 Mn1 117.93(13) 7_566 7_676
Mn1 As2 Zn1 23.4(3) 7_666 7_666
Mn1 As2 Zn1 121.03(6) 7_566 7_666
Mn1 As2 Zn1 121.03(6) 7_676 7_666
Mn1 As2 Zn1 121.03(6) 7_666 7_676
Mn1 As2 Zn1 121.03(6) 7_566 7_676
Mn1 As2 Zn1 23.4(3) 7_676 7_676
Zn1 As2 Zn1 113.54(12) 7_666 7_676
Mn1 As2 Zn1 121.03(6) 7_666 7_566
Mn1 As2 Zn1 23.4(3) 7_566 7_566
Mn1 As2 Zn1 121.03(6) 7_676 7_566
Zn1 As2 Zn1 113.54(12) 7_666 7_566
Zn1 As2 Zn1 113.54(12) 7_676 7_566
Mn1 As2 Zn2 98.4(3) 7_666 .
Mn1 As2 Zn2 98.4(3) 7_566 .
Mn1 As2 Zn2 98.4(3) 7_676 .
Zn1 As2 Zn2 74.99(14) 7_666 .
Zn1 As2 Zn2 74.99(14) 7_676 .
Zn1 As2 Zn2 74.99(14) 7_566 .
Mn1 As2 Mn1 81.6(3) 7_666 .
Mn1 As2 Mn1 81.6(3) 7_566 .
Mn1 As2 Mn1 81.6(3) 7_676 .
Zn1 As2 Mn1 105.01(14) 7_666 .
Zn1 As2 Mn1 105.01(14) 7_676 .
Zn1 As2 Mn1 105.01(14) 7_566 .
Zn2 As2 Mn1 180.0 . .
Mn1 As2 La1 138.2(3) 7_666 1_565
Mn1 As2 La1 60.47(15) 7_566 1_565
Mn1 As2 La1 60.47(15) 7_676 1_565
Zn1 As2 La1 161.55(16) 7_666 1_565
Zn1 As2 La1 74.92(9) 7_676 1_565
Zn1 As2 La1 74.92(9) 7_566 1_565
Zn2 As2 La1 123.46(4) . 1_565
Mn1 As2 La1 56.54(4) . 1_565
Mn1 As2 La1 60.48(15) 7_666 .
Mn1 As2 La1 60.48(15) 7_566 .
Mn1 As2 La1 138.2(3) 7_676 .
Zn1 As2 La1 74.92(9) 7_666 .
Zn1 As2 La1 161.55(16) 7_676 .
Zn1 As2 La1 74.92(9) 7_566 .
Zn2 As2 La1 123.46(4) . .
Mn1 As2 La1 56.54(4) . .
La1 As2 La1 92.52(5) 1_565 .
Mn1 As2 La1 60.48(15) 7_666 1_665
Mn1 As2 La1 138.2(3) 7_566 1_665
Mn1 As2 La1 60.48(15) 7_676 1_665
Zn1 As2 La1 74.92(9) 7_666 1_665
Zn1 As2 La1 74.92(9) 7_676 1_665
Zn1 As2 La1 161.55(16) 7_566 1_665
Zn2 As2 La1 123.46(4) . 1_665
Mn1 As2 La1 56.54(4) . 1_665
La1 As2 La1 92.52(5) 1_565 1_665
La1 As2 La1 92.52(5) . 1_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Mn1 2.700(5) 7_666
La1 Mn1 2.700(5) 1_445
La1 Mn1 2.700(5) 7_556
La1 Mn1 2.700(5) .
La1 Mn1 2.700(5) 7_566
La1 Mn1 2.700(5) 1_545
La1 As2 2.8783(16) 7_556
La1 As2 2.8783(16) 7_666
La1 As2 2.8783(16) 1_445
La1 As2 2.8783(16) .
La1 As2 2.8783(16) 7_566
La1 As2 2.8783(16) 1_545
La2 As1 3.0116(15) 7
La2 As1 3.0116(15) 7_665
La2 As1 3.0116(15) 1_445
La2 As1 3.0116(15) .
La2 As1 3.0116(15) 7_565
La2 As1 3.0116(15) 1_545
La2 Zn2 3.635(2) 7_666
La2 Zn2 3.635(2) 1_444
La2 Zn2 3.635(2) 7_556
La2 Zn2 3.635(2) 1_554
La2 Zn2 3.635(2) 7_566
La2 Zn2 3.635(2) 1_544
Zn1 Mn1 0.996(11) .
Zn1 As2 2.486(2) 7_666
Zn1 As2 2.486(2) 7_676
Zn1 As2 2.486(2) 7_566
Zn1 As1 2.771(6) .
Zn1 Zn2 3.037(4) 7_666
Zn1 Zn2 3.037(4) 7_566
Zn1 Zn2 3.037(4) 7_676
Zn1 La1 3.278(4) 1_665
Zn1 La1 3.278(4) 1_565
Zn2 As2 2.503(3) .
Zn2 As1 2.5686(15) 7_666
Zn2 As1 2.5687(15) 7_676
Zn2 As1 2.5687(15) 7_566
Zn2 Zn1 3.037(4) 7_666
Zn2 Zn1 3.037(4) 7_566
Zn2 Zn1 3.037(4) 7_676
Zn2 La2 3.636(2) 1_666
Zn2 La2 3.636(2) 1_566
Zn2 La2 3.636(2) 1_556
Mn1 As2 2.427(2) 7_666
Mn1 As2 2.427(2) 7_566
Mn1 As2 2.427(2) 7_676
Mn1 La1 2.700(5) 1_565
Mn1 La1 2.700(5) 1_665
Mn1 As2 2.821(11) .
As1 Zn2 2.5686(15) 7_666
As1 Zn2 2.5687(15) 7_676
As1 Zn2 2.5687(15) 7_566
As1 La2 3.0116(15) 1_565
As1 La2 3.0116(15) 1_665
As2 Mn1 2.427(2) 7_666
As2 Mn1 2.427(2) 7_566
As2 Mn1 2.427(2) 7_676
As2 Zn1 2.486(2) 7_666
As2 Zn1 2.486(2) 7_676
As2 Zn1 2.486(2) 7_566
As2 La1 2.8783(16) 1_565
As2 La1 2.8783(16) 1_665
