#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:36:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/05/4340521.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_4340521
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     'Pr1.25 Mn0.95 Zn3.05 As4'
_chemical_formula_sum            'As4 Mn0.95 Pr1.25 Zn3.05'
_chemical_formula_weight         727.39
_chemical_name_common
'praseodymium manganese zinc arsenide (1.3/0.9/3.1/4)'
_chemical_name_systematic
'praseodymium 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                   4.1533(4)
_cell_length_b                   4.1533(4)
_cell_length_c                   13.5629(13)
_cell_measurement_reflns_used    1667
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.89
_cell_measurement_theta_min      3.00
_cell_volume                     202.61(3)
_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 0.989
_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  0.0344
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.989
_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       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2844
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.188
_diffrn_reflns_theta_min         3.004
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    33.807
_exptl_absorpt_correction_T_max  0.3696
_exptl_absorpt_correction_T_min  0.2474
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.961
_exptl_crystal_description       irregular
_exptl_crystal_F_000             321
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.036
_refine_diff_density_max         2.247
_refine_diff_density_min         -4.065
_refine_diff_density_rms         0.419
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         353
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0328
_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)+(0.0368P)²+4.8002P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0971
_reflns_Friedel_coverage         0.000
_reflns_number_gt                324
_reflns_number_total             353
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic501053v_si_003.cif
_cod_data_source_block           Pr(Mn,Zn)4As4
_cod_depositor_comments
'Adding full bibliography for 4340510--4340524.cif.'
_cod_original_cell_volume        202.61(4)
_cod_database_code               4340521
#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   0.210
_shelx_estimated_absorpt_t_max   0.376
_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
Pr1 Pr 0.0000 0.0000 0.5000 0.035(2) Uani 0.253(8) 12 d S T .
Pr2 Pr 0.0000 0.0000 0.0000 0.0147(3) Uani 1 12 d S T P
Zn1 Zn 0.3333 0.6667 0.3331(3) 0.0215(11) Uani 0.523(10) 6 d S T P
Zn2 Zn 0.3333 0.6667 0.80174(13) 0.0169(4) Uani 1 6 d S T P
Mn Mn 0.3333 0.6667 0.4087(7) 0.038(2) Uani 0.477(10) 6 d S T P
As1 As 0.3333 0.6667 0.13056(9) 0.0100(3) Uani 1 6 d S T P
As2 As 0.3333 0.6667 0.61690(11) 0.0162(3) 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'
Pr Pr -0.2180 2.8214 '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
Mn Pr1 Mn 180.0 7_666 1_445
Mn Pr1 Mn 100.6(2) 7_666 7_556
Mn Pr1 Mn 79.4(2) 1_445 7_556
Mn Pr1 Mn 79.4(2) 7_666 .
Mn Pr1 Mn 100.6(2) 1_445 .
Mn Pr1 Mn 180.0 7_556 .
Mn Pr1 Mn 100.6(2) 7_666 7_566
Mn Pr1 Mn 79.4(2) 1_445 7_566
Mn Pr1 Mn 100.6(2) 7_556 7_566
Mn Pr1 Mn 79.4(2) . 7_566
Mn Pr1 Mn 79.4(2) 7_666 1_545
Mn Pr1 Mn 100.6(2) 1_445 1_545
Mn Pr1 Mn 79.4(2) 7_556 1_545
Mn Pr1 Mn 100.6(2) . 1_545
Mn Pr1 Mn 180.0(3) 7_566 1_545
Mn Pr1 As2 51.42(7) 7_666 .
Mn Pr1 As2 128.58(7) 1_445 .
Mn Pr1 As2 119.23(17) 7_556 .
Mn Pr1 As2 60.77(17) . .
Mn Pr1 As2 51.42(7) 7_566 .
Mn Pr1 As2 128.58(7) 1_545 .
Mn Pr1 As2 128.58(7) 7_666 7_556
Mn Pr1 As2 51.42(7) 1_445 7_556
Mn Pr1 As2 60.77(17) 7_556 7_556
Mn Pr1 As2 119.23(17) . 7_556
Mn Pr1 As2 128.58(7) 7_566 7_556
Mn Pr1 As2 51.42(7) 1_545 7_556
As2 Pr1 As2 180.0 . 7_556
Mn Pr1 As2 60.77(17) 7_666 7_666
Mn Pr1 As2 119.23(17) 1_445 7_666
Mn Pr1 As2 128.58(7) 7_556 7_666
Mn Pr1 As2 51.42(7) . 7_666
Mn Pr1 As2 128.58(7) 7_566 7_666
Mn Pr1 As2 51.42(7) 1_545 7_666
As2 Pr1 As2 87.50(4) . 7_666
As2 Pr1 As2 92.50(3) 7_556 7_666
Mn Pr1 As2 119.23(17) 7_666 1_445
Mn Pr1 As2 60.77(17) 1_445 1_445
Mn Pr1 As2 51.42(7) 7_556 1_445
Mn Pr1 As2 128.58(7) . 1_445
Mn Pr1 As2 51.42(7) 7_566 1_445
Mn Pr1 As2 128.58(7) 1_545 1_445
As2 Pr1 As2 92.50(3) . 1_445
As2 Pr1 As2 87.50(3) 7_556 1_445
As2 Pr1 As2 180.0 7_666 1_445
Mn Pr1 As2 128.58(7) 7_666 7_566
Mn Pr1 As2 51.42(7) 1_445 7_566
Mn Pr1 As2 128.58(7) 7_556 7_566
Mn Pr1 As2 51.42(7) . 7_566
Mn Pr1 As2 60.77(17) 7_566 7_566
Mn Pr1 As2 119.23(17) 1_545 7_566
As2 Pr1 As2 87.50(3) . 7_566
As2 Pr1 As2 92.50(3) 7_556 7_566
As2 Pr1 As2 92.50(3) 7_666 7_566
As2 Pr1 As2 87.50(3) 1_445 7_566
Mn Pr1 As2 51.42(7) 7_666 1_545
Mn Pr1 As2 128.58(7) 1_445 1_545
Mn Pr1 As2 51.42(7) 7_556 1_545
Mn Pr1 As2 128.58(7) . 1_545
Mn Pr1 As2 119.23(17) 7_566 1_545
Mn Pr1 As2 60.77(17) 1_545 1_545
As2 Pr1 As2 92.50(3) . 1_545
As2 Pr1 As2 87.50(3) 7_556 1_545
As2 Pr1 As2 87.50(3) 7_666 1_545
As2 Pr1 As2 92.50(3) 1_445 1_545
As2 Pr1 As2 180.00(5) 7_566 1_545
As1 Pr2 As1 88.32(3) 7 7_665
As1 Pr2 As1 91.68(3) 7 1_445
As1 Pr2 As1 180.00(4) 7_665 1_445
As1 Pr2 As1 88.32(3) 7 7_565
As1 Pr2 As1 88.32(3) 7_665 7_565
As1 Pr2 As1 91.68(3) 1_445 7_565
As1 Pr2 As1 91.68(3) 7 1_545
As1 Pr2 As1 91.68(3) 7_665 1_545
As1 Pr2 As1 88.32(3) 1_445 1_545
As1 Pr2 As1 180.00(4) 7_565 1_545
As1 Pr2 As1 180.0 7 .
As1 Pr2 As1 91.68(3) 7_665 .
As1 Pr2 As1 88.32(3) 1_445 .
As1 Pr2 As1 91.68(3) 7_565 .
As1 Pr2 As1 88.32(3) 1_545 .
As1 Pr2 Zn2 44.679(12) 7 1_444
As1 Pr2 Zn2 95.28(3) 7_665 1_444
As1 Pr2 Zn2 84.72(3) 1_445 1_444
As1 Pr2 Zn2 44.680(12) 7_565 1_444
As1 Pr2 Zn2 135.320(12) 1_545 1_444
As1 Pr2 Zn2 135.321(12) . 1_444
As1 Pr2 Zn2 135.321(12) 7 7_666
As1 Pr2 Zn2 84.72(3) 7_665 7_666
As1 Pr2 Zn2 95.28(3) 1_445 7_666
As1 Pr2 Zn2 135.320(12) 7_565 7_666
As1 Pr2 Zn2 44.680(12) 1_545 7_666
As1 Pr2 Zn2 44.679(12) . 7_666
Zn2 Pr2 Zn2 180.00(4) 1_444 7_666
As1 Pr2 Zn2 95.28(3) 7 1_554
As1 Pr2 Zn2 44.679(12) 7_665 1_554
As1 Pr2 Zn2 135.321(12) 1_445 1_554
As1 Pr2 Zn2 44.680(12) 7_565 1_554
As1 Pr2 Zn2 135.320(12) 1_545 1_554
As1 Pr2 Zn2 84.72(3) . 1_554
Zn2 Pr2 Zn2 70.39(3) 1_444 1_554
Zn2 Pr2 Zn2 109.61(3) 7_666 1_554
As1 Pr2 Zn2 84.72(3) 7 7_556
As1 Pr2 Zn2 135.321(12) 7_665 7_556
As1 Pr2 Zn2 44.679(12) 1_445 7_556
As1 Pr2 Zn2 135.320(12) 7_565 7_556
As1 Pr2 Zn2 44.680(12) 1_545 7_556
As1 Pr2 Zn2 95.28(3) . 7_556
Zn2 Pr2 Zn2 109.61(3) 1_444 7_556
Zn2 Pr2 Zn2 70.39(3) 7_666 7_556
Zn2 Pr2 Zn2 180.00(4) 1_554 7_556
As1 Pr2 Zn2 44.680(12) 7 1_544
As1 Pr2 Zn2 44.680(12) 7_665 1_544
As1 Pr2 Zn2 135.320(12) 1_445 1_544
As1 Pr2 Zn2 95.28(3) 7_565 1_544
As1 Pr2 Zn2 84.72(3) 1_545 1_544
As1 Pr2 Zn2 135.321(12) . 1_544
Zn2 Pr2 Zn2 70.39(3) 1_444 1_544
Zn2 Pr2 Zn2 109.61(3) 7_666 1_544
Zn2 Pr2 Zn2 70.39(3) 1_554 1_544
Zn2 Pr2 Zn2 109.61(3) 7_556 1_544
As1 Pr2 Zn2 135.320(12) 7 7_566
As1 Pr2 Zn2 135.320(12) 7_665 7_566
As1 Pr2 Zn2 44.680(12) 1_445 7_566
As1 Pr2 Zn2 84.72(3) 7_565 7_566
As1 Pr2 Zn2 95.28(3) 1_545 7_566
As1 Pr2 Zn2 44.679(12) . 7_566
Zn2 Pr2 Zn2 109.61(3) 1_444 7_566
Zn2 Pr2 Zn2 70.39(3) 7_666 7_566
Zn2 Pr2 Zn2 109.61(3) 1_554 7_566
Zn2 Pr2 Zn2 70.39(3) 7_556 7_566
Zn2 Pr2 Zn2 180.00(4) 1_544 7_566
Mn Zn1 As2 74.20(11) . 7_666
Mn Zn1 As2 74.20(11) . 7_676
As2 Zn1 As2 112.88(9) 7_666 7_676
Mn Zn1 As2 74.20(11) . 7_566
As2 Zn1 As2 112.88(9) 7_666 7_566
As2 Zn1 As2 112.88(9) 7_676 7_566
Mn Zn1 As1 180.0 . .
As2 Zn1 As1 105.80(11) 7_666 .
As2 Zn1 As1 105.80(11) 7_676 .
As2 Zn1 As1 105.80(11) 7_566 .
Mn Zn1 Zn2 127.33(7) . 7_666
As2 Zn1 Zn2 53.12(5) 7_666 7_666
As2 Zn1 Zn2 123.21(7) 7_676 7_666
As2 Zn1 Zn2 123.21(7) 7_566 7_666
As1 Zn1 Zn2 52.67(7) . 7_666
Mn Zn1 Zn2 127.33(7) . 7_566
As2 Zn1 Zn2 123.21(7) 7_666 7_566
As2 Zn1 Zn2 123.21(7) 7_676 7_566
As2 Zn1 Zn2 53.12(5) 7_566 7_566
As1 Zn1 Zn2 52.67(7) . 7_566
Zn2 Zn1 Zn2 87.05(11) 7_666 7_566
Mn Zn1 Zn2 127.33(7) . 7_676
As2 Zn1 Zn2 123.21(7) 7_666 7_676
As2 Zn1 Zn2 53.12(5) 7_676 7_676
As2 Zn1 Zn2 123.21(7) 7_566 7_676
As1 Zn1 Zn2 52.67(7) . 7_676
Zn2 Zn1 Zn2 87.05(11) 7_666 7_676
Zn2 Zn1 Zn2 87.05(11) 7_566 7_676
Mn Zn1 Pr1 46.65(6) . 1_665
As2 Zn1 Pr1 57.54(6) 7_666 1_665
As2 Zn1 Pr1 57.54(6) 7_676 1_665
As2 Zn1 Pr1 120.85(16) 7_566 1_665
As1 Zn1 Pr1 133.35(6) . 1_665
Zn2 Zn1 Pr1 97.31(2) 7_666 1_665
Zn2 Zn1 Pr1 173.97(13) 7_566 1_665
Zn2 Zn1 Pr1 97.31(2) 7_676 1_665
Mn Zn1 Pr1 46.65(6) . 1_565
As2 Zn1 Pr1 120.85(16) 7_666 1_565
As2 Zn1 Pr1 57.54(6) 7_676 1_565
As2 Zn1 Pr1 57.54(6) 7_566 1_565
As1 Zn1 Pr1 133.35(6) . 1_565
Zn2 Zn1 Pr1 173.97(13) 7_666 1_565
Zn2 Zn1 Pr1 97.31(2) 7_566 1_565
Zn2 Zn1 Pr1 97.31(2) 7_676 1_565
Pr1 Zn1 Pr1 78.06(9) 1_665 1_565
Mn Zn1 Pr1 46.65(6) . .
As2 Zn1 Pr1 57.54(6) 7_666 .
As2 Zn1 Pr1 120.85(16) 7_676 .
As2 Zn1 Pr1 57.54(6) 7_566 .
As1 Zn1 Pr1 133.35(6) . .
Zn2 Zn1 Pr1 97.31(2) 7_666 .
Zn2 Zn1 Pr1 97.31(2) 7_566 .
Zn2 Zn1 Pr1 173.97(13) 7_676 .
Pr1 Zn1 Pr1 78.06(9) 1_665 .
Pr1 Zn1 Pr1 78.06(9) 1_565 .
As2 Zn2 As1 110.95(4) . 7_666
As2 Zn2 As1 110.95(4) . 7_676
As1 Zn2 As1 107.95(5) 7_666 7_676
As2 Zn2 As1 110.95(4) . 7_566
As1 Zn2 As1 107.95(5) 7_666 7_566
As1 Zn2 As1 107.95(5) 7_676 7_566
As2 Zn2 Zn1 52.67(7) . 7_666
As1 Zn2 Zn1 58.28(7) 7_666 7_666
As1 Zn2 Zn1 126.03(2) 7_676 7_666
As1 Zn2 Zn1 126.03(2) 7_566 7_666
As2 Zn2 Zn1 52.67(7) . 7_566
As1 Zn2 Zn1 126.03(2) 7_666 7_566
As1 Zn2 Zn1 126.03(2) 7_676 7_566
As1 Zn2 Zn1 58.28(7) 7_566 7_566
Zn1 Zn2 Zn1 87.05(11) 7_666 7_566
As2 Zn2 Zn1 52.67(7) . 7_676
As1 Zn2 Zn1 126.03(2) 7_666 7_676
As1 Zn2 Zn1 58.28(7) 7_676 7_676
As1 Zn2 Zn1 126.03(2) 7_566 7_676
Zn1 Zn2 Zn1 87.05(11) 7_666 7_676
Zn1 Zn2 Zn1 87.05(11) 7_566 7_676
As2 Zn2 Pr2 138.275(19) . 1_666
As1 Zn2 Pr2 54.71(3) 7_666 1_666
As1 Zn2 Pr2 54.71(3) 7_676 1_666
As1 Zn2 Pr2 110.77(6) 7_566 1_666
Zn1 Zn2 Pr2 100.83(6) 7_666 1_666
Zn1 Zn2 Pr2 169.05(8) 7_566 1_666
Zn1 Zn2 Pr2 100.83(6) 7_676 1_666
As2 Zn2 Pr2 138.275(19) . 1_566
As1 Zn2 Pr2 110.77(6) 7_666 1_566
As1 Zn2 Pr2 54.71(3) 7_676 1_566
As1 Zn2 Pr2 54.71(3) 7_566 1_566
Zn1 Zn2 Pr2 169.05(8) 7_666 1_566
Zn1 Zn2 Pr2 100.83(6) 7_566 1_566
Zn1 Zn2 Pr2 100.83(6) 7_676 1_566
Pr2 Zn2 Pr2 70.39(3) 1_666 1_566
As2 Zn2 Pr2 138.275(19) . 1_556
As1 Zn2 Pr2 54.71(3) 7_666 1_556
As1 Zn2 Pr2 110.77(6) 7_676 1_556
As1 Zn2 Pr2 54.71(3) 7_566 1_556
Zn1 Zn2 Pr2 100.83(6) 7_666 1_556
Zn1 Zn2 Pr2 100.83(6) 7_566 1_556
Zn1 Zn2 Pr2 169.05(8) 7_676 1_556
Pr2 Zn2 Pr2 70.39(3) 1_666 1_556
Pr2 Zn2 Pr2 70.39(3) 1_566 1_556
Zn1 Mn As2 81.7(2) . 7_666
Zn1 Mn As2 81.7(2) . 7_566
As2 Mn As2 117.98(11) 7_666 7_566
Zn1 Mn As2 81.7(2) . 7_676
As2 Mn As2 117.98(11) 7_666 7_676
As2 Mn As2 117.97(11) 7_566 7_676
Zn1 Mn Pr1 117.30(17) . 1_565
As2 Mn Pr1 161.0(4) 7_666 1_565
As2 Mn Pr1 68.05(6) 7_566 1_565
As2 Mn Pr1 68.05(6) 7_676 1_565
Zn1 Mn Pr1 117.30(17) . 1_665
As2 Mn Pr1 68.05(6) 7_666 1_665
As2 Mn Pr1 161.0(4) 7_566 1_665
As2 Mn Pr1 68.05(6) 7_676 1_665
Pr1 Mn Pr1 100.6(2) 1_565 1_665
Zn1 Mn Pr1 117.30(17) . .
As2 Mn Pr1 68.05(6) 7_666 .
As2 Mn Pr1 68.05(6) 7_566 .
As2 Mn Pr1 161.0(4) 7_676 .
Pr1 Mn Pr1 100.6(2) 1_565 .
Pr1 Mn Pr1 100.6(2) 1_665 .
Zn1 Mn As2 180.0 . .
As2 Mn As2 98.3(2) 7_666 .
As2 Mn As2 98.3(2) 7_566 .
As2 Mn As2 98.3(2) 7_676 .
Pr1 Mn As2 62.70(17) 1_565 .
Pr1 Mn As2 62.70(17) 1_665 .
Pr1 Mn As2 62.70(17) . .
Zn2 As1 Zn2 107.95(5) 7_666 7_676
Zn2 As1 Zn2 107.95(5) 7_666 7_566
Zn2 As1 Zn2 107.95(5) 7_676 7_566
Zn2 As1 Zn1 69.05(4) 7_666 .
Zn2 As1 Zn1 69.05(4) 7_676 .
Zn2 As1 Zn1 69.05(4) 7_566 .
Zn2 As1 Pr2 80.61(3) 7_666 .
Zn2 As1 Pr2 164.51(6) 7_676 .
Zn2 As1 Pr2 80.61(3) 7_566 .
Zn1 As1 Pr2 126.44(2) . .
Zn2 As1 Pr2 164.51(6) 7_666 1_565
Zn2 As1 Pr2 80.61(3) 7_676 1_565
Zn2 As1 Pr2 80.61(3) 7_566 1_565
Zn1 As1 Pr2 126.44(2) . 1_565
Pr2 As1 Pr2 88.32(3) . 1_565
Zn2 As1 Pr2 80.61(3) 7_666 1_665
Zn2 As1 Pr2 80.61(3) 7_676 1_665
Zn2 As1 Pr2 164.51(6) 7_566 1_665
Zn1 As1 Pr2 126.44(2) . 1_665
Pr2 As1 Pr2 88.32(3) . 1_665
Pr2 As1 Pr2 88.32(3) 1_565 1_665
Mn As2 Mn 117.98(11) 7_666 7_566
Mn As2 Mn 117.98(11) 7_666 7_676
Mn As2 Mn 117.97(11) 7_566 7_676
Mn As2 Zn1 24.1(2) 7_666 7_666
Mn As2 Zn1 121.01(5) 7_566 7_666
Mn As2 Zn1 121.01(5) 7_676 7_666
Mn As2 Zn1 121.01(5) 7_666 7_676
Mn As2 Zn1 121.01(5) 7_566 7_676
Mn As2 Zn1 24.1(2) 7_676 7_676
Zn1 As2 Zn1 112.88(9) 7_666 7_676
Mn As2 Zn1 121.01(5) 7_666 7_566
Mn As2 Zn1 24.1(2) 7_566 7_566
Mn As2 Zn1 121.01(5) 7_676 7_566
Zn1 As2 Zn1 112.88(9) 7_666 7_566
Zn1 As2 Zn1 112.88(9) 7_676 7_566
Mn As2 Zn2 98.3(2) 7_666 .
Mn As2 Zn2 98.3(2) 7_566 .
Mn As2 Zn2 98.3(2) 7_676 .
Zn1 As2 Zn2 74.20(11) 7_666 .
Zn1 As2 Zn2 74.20(11) 7_676 .
Zn1 As2 Zn2 74.20(11) 7_566 .
Mn As2 Mn 81.7(2) 7_666 .
Mn As2 Mn 81.7(2) 7_566 .
Mn As2 Mn 81.7(2) 7_676 .
Zn1 As2 Mn 105.80(11) 7_666 .
Zn1 As2 Mn 105.80(11) 7_676 .
Zn1 As2 Mn 105.80(11) 7_566 .
Zn2 As2 Mn 180.0 . .
Mn As2 Pr1 60.53(12) 7_666 .
Mn As2 Pr1 60.53(12) 7_566 .
Mn As2 Pr1 138.3(2) 7_676 .
Zn1 As2 Pr1 75.45(7) 7_666 .
Zn1 As2 Pr1 162.32(12) 7_676 .
Zn1 As2 Pr1 75.45(7) 7_566 .
Zn2 As2 Pr1 123.47(3) . .
Mn As2 Pr1 56.53(3) . .
Mn As2 Pr1 138.3(2) 7_666 1_565
Mn As2 Pr1 60.53(12) 7_566 1_565
Mn As2 Pr1 60.53(12) 7_676 1_565
Zn1 As2 Pr1 162.32(12) 7_666 1_565
Zn1 As2 Pr1 75.45(7) 7_676 1_565
Zn1 As2 Pr1 75.45(7) 7_566 1_565
Zn2 As2 Pr1 123.47(3) . 1_565
Mn As2 Pr1 56.53(3) . 1_565
Pr1 As2 Pr1 92.50(3) . 1_565
Mn As2 Pr1 60.53(12) 7_666 1_665
Mn As2 Pr1 138.3(2) 7_566 1_665
Mn As2 Pr1 60.53(12) 7_676 1_665
Zn1 As2 Pr1 75.45(7) 7_666 1_665
Zn1 As2 Pr1 75.45(7) 7_676 1_665
Zn1 As2 Pr1 162.32(12) 7_566 1_665
Zn2 As2 Pr1 123.47(3) . 1_665
Mn As2 Pr1 56.53(3) . 1_665
Pr1 As2 Pr1 92.50(3) . 1_665
Pr1 As2 Pr1 92.50(3) 1_565 1_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 Mn 2.698(4) 7_666
Pr1 Mn 2.698(4) 1_445
Pr1 Mn 2.698(4) 7_556
Pr1 Mn 2.698(4) .
Pr1 Mn 2.699(4) 7_566
Pr1 Mn 2.699(4) 1_545
Pr1 As2 2.8747(9) .
Pr1 As2 2.8747(9) 7_556
Pr1 As2 2.8747(9) 7_666
Pr1 As2 2.8747(9) 1_445
Pr1 As2 2.8747(9) 7_566
Pr1 As2 2.8747(9) 1_545
Pr2 As1 2.9808(8) 7
Pr2 As1 2.9808(8) 7_665
Pr2 As1 2.9808(8) 1_445
Pr2 As1 2.9808(8) 7_565
Pr2 As1 2.9808(8) 1_545
Pr2 As1 2.9809(8) .
Pr2 Zn2 3.6029(13) 1_444
Pr2 Zn2 3.6029(13) 7_666
Pr2 Zn2 3.6029(13) 1_554
Pr2 Zn2 3.6029(13) 7_556
Pr2 Zn2 3.6029(13) 1_544
Pr2 Zn2 3.6029(13) 7_566
Zn1 Mn 1.026(9) .
Zn1 As2 2.4920(14) 7_666
Zn1 As2 2.4920(13) 7_676
Zn1 As2 2.4920(13) 7_566
Zn1 As1 2.747(5) .
Zn1 Zn2 3.016(3) 7_666
Zn1 Zn2 3.016(3) 7_566
Zn1 Zn2 3.016(3) 7_676
Zn1 Pr1 3.298(3) 1_665
Zn1 Pr1 3.298(3) 1_565
Zn2 As2 2.507(2) .
Zn2 As1 2.5677(8) 7_666
Zn2 As1 2.5677(8) 7_676
Zn2 As1 2.5677(8) 7_566
Zn2 Zn1 3.016(3) 7_666
Zn2 Zn1 3.016(3) 7_566
Zn2 Zn1 3.016(3) 7_676
Zn2 Pr2 3.6029(13) 1_666
Zn2 Pr2 3.6028(13) 1_566
Zn2 Pr2 3.6028(13) 1_556
Mn As2 2.4230(14) 7_666
Mn As2 2.4230(14) 7_566
Mn As2 2.4230(14) 7_676
Mn Pr1 2.698(4) 1_565
Mn Pr1 2.698(4) 1_665
Mn As2 2.823(9) .
As1 Zn2 2.5677(8) 7_666
As1 Zn2 2.5677(8) 7_676
As1 Zn2 2.5677(8) 7_566
As1 Pr2 2.9808(8) 1_565
As1 Pr2 2.9808(8) 1_665
As2 Mn 2.4230(14) 7_666
As2 Mn 2.4230(14) 7_566
As2 Mn 2.4230(14) 7_676
As2 Zn1 2.4920(13) 7_666
As2 Zn1 2.4920(14) 7_676
As2 Zn1 2.4920(14) 7_566
As2 Pr1 2.8747(9) 1_565
As2 Pr1 2.8747(9) 1_665
