#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:05:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179439 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/36/4333632.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_4333632
loop_
_publ_author_name
'Stanislav S. Stoyko'
'Krishna K. Ramachandran'
'C. Scott Mullen'
'Arthur Mar'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, AB
  Canada  T6G 2G2
;
_publ_contact_author_email       arthur.mar@ualberta.ca
_publ_contact_author_fax         '(780) 492-8231'
_publ_contact_author_name        'Dr. Arthur Mar'
_publ_contact_author_phone       '(780) 492-5592'
_publ_section_title
;
 Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As):
 Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1040
_journal_page_last               1046
_journal_paper_doi               10.1021/ic3023375
_journal_volume                  52
_journal_year                    2013
_chemical_formula_structural     'Dy2 Mn3 Cu9 P7'
_chemical_formula_sum            'Cu9 Dy2 Mn3 P7'
_chemical_formula_weight         1278.47
_chemical_name_common
;
 dysprosium manganese copper phosphide (2/3/9/7)
;
_chemical_name_systematic
;
 dysprosium manganese copper phosphide (2/3/9/7)
;
_space_group_IT_number           174
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   9.5970(7)
_cell_length_b                   9.5970(7)
_cell_length_c                   3.7761(3)
_cell_measurement_reflns_used    2068
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.23
_cell_measurement_theta_min      2.45
_cell_volume                     301.19(4)
_computing_cell_refinement       'Bruker SAINT 7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART 5.054 (Bruker, 1999)'
_computing_data_reduction        'Bruker SAINT 7.68A'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  'Bruker SHELXTL 6.12'
_computing_structure_refinement  'Bruker SHELXTL 6.12'
_computing_structure_solution    'Bruker SHELXTL 6.12'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8/SMART APEX II CCD'
_diffrn_measurement_method       '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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4288
_diffrn_reflns_theta_full        33.21
_diffrn_reflns_theta_max         33.21
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    31.657
_exptl_absorpt_correction_T_max  0.6577
_exptl_absorpt_correction_T_min  0.1089
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    7.048
_exptl_crystal_description       needle
_exptl_crystal_F_000             573
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.434
_refine_diff_density_min         -1.597
_refine_diff_density_rms         0.360
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.51(3)
_refine_ls_extinction_coef       0.0009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         862
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0133P)²+1.9018P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0476
_refine_ls_wR_factor_ref         0.0491
_reflns_number_gt                819
_reflns_number_total             862
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic3023375_si_002_09.cif
_cod_data_source_block           dy2mn3cu9p7
_cod_database_code               4333632
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -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
Dy1 Dy 0.3333 0.6667 0.0000 0.00635(17) Uani 1 6 d S
Dy2 Dy 0.6667 0.3333 0.5000 0.00683(16) Uani 1 6 d S
Cu1 Cu 0.42652(17) 0.04613(19) 0.0000 0.0083(3) Uani 1 2 d S
Cu2 Cu 0.16774(14) 0.28247(15) 0.0000 0.0080(2) Uani 1 2 d S
Cu3 Cu 0.38901(18) 0.42893(17) 0.5000 0.0082(3) Uani 1 2 d S
Mn4 Mn 0.2235(2) 0.0919(2) 0.5000 0.0128(3) Uani 1 2 d S
P1 P 0.4221(4) 0.2913(4) 0.0000 0.0072(5) Uani 1 2 d S
P2 P 0.1300(4) 0.4194(3) 0.5000 0.0057(5) Uani 1 2 d S
P3 P 0.0000 0.0000 0.0000 0.0057(6) Uani 1 6 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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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 Dy1 P2 81.46(8) 3_565 3_564
P2 Dy1 P2 135.47(3) 3_565 1_554
P2 Dy1 P2 82.03(6) 3_564 1_554
P2 Dy1 P2 82.03(6) 3_565 .
P2 Dy1 P2 135.47(3) 3_564 .
P2 Dy1 P2 81.46(8) 1_554 .
P2 Dy1 P2 82.03(6) 3_565 2_665
P2 Dy1 P2 135.47(3) 3_564 2_665
P2 Dy1 P2 135.47(3) 1_554 2_665
P2 Dy1 P2 82.03(6) . 2_665
P2 Dy1 P2 135.47(3) 3_565 2_664
P2 Dy1 P2 82.03(6) 3_564 2_664
P2 Dy1 P2 82.03(6) 1_554 2_664
P2 Dy1 P2 135.47(3) . 2_664
P2 Dy1 P2 81.46(8) 2_665 2_664
P2 Dy1 Cu2 46.60(5) 3_565 3_565
P2 Dy1 Cu2 46.60(5) 3_564 3_565
P2 Dy1 Cu2 93.82(7) 1_554 3_565
P2 Dy1 Cu2 93.82(7) . 3_565
P2 Dy1 Cu2 128.35(6) 2_665 3_565
P2 Dy1 Cu2 128.35(6) 2_664 3_565
P2 Dy1 Cu2 93.82(7) 3_565 2_665
P2 Dy1 Cu2 93.82(7) 3_564 2_665
P2 Dy1 Cu2 128.35(6) 1_554 2_665
P2 Dy1 Cu2 128.35(6) . 2_665
P2 Dy1 Cu2 46.60(5) 2_665 2_665
P2 Dy1 Cu2 46.60(5) 2_664 2_665
Cu2 Dy1 Cu2 120.0 3_565 2_665
P2 Dy1 Cu2 128.35(6) 3_565 .
P2 Dy1 Cu2 128.35(6) 3_564 .
P2 Dy1 Cu2 46.60(5) 1_554 .
P2 Dy1 Cu2 46.60(5) . .
P2 Dy1 Cu2 93.82(7) 2_665 .
P2 Dy1 Cu2 93.82(7) 2_664 .
Cu2 Dy1 Cu2 120.0 3_565 .
Cu2 Dy1 Cu2 120.0 2_665 .
P2 Dy1 Cu3 94.85(6) 3_565 3_564
P2 Dy1 Cu3 46.84(7) 3_564 3_564
P2 Dy1 Cu3 45.82(7) 1_554 3_564
P2 Dy1 Cu3 94.11(6) . 3_564
P2 Dy1 Cu3 175.33(4) 2_665 3_564
P2 Dy1 Cu3 103.18(4) 2_664 3_564
Cu2 Dy1 Cu3 49.01(3) 3_565 3_564
Cu2 Dy1 Cu3 137.45(2) 2_665 3_564
Cu2 Dy1 Cu3 85.37(3) . 3_564
P2 Dy1 Cu3 45.82(7) 3_565 2_665
P2 Dy1 Cu3 94.11(6) 3_564 2_665
P2 Dy1 Cu3 175.33(4) 1_554 2_665
P2 Dy1 Cu3 103.18(4) . 2_665
P2 Dy1 Cu3 46.84(7) 2_665 2_665
P2 Dy1 Cu3 94.85(6) 2_664 2_665
Cu2 Dy1 Cu3 85.37(3) 3_565 2_665
Cu2 Dy1 Cu3 49.01(3) 2_665 2_665
Cu2 Dy1 Cu3 137.45(2) . 2_665
Cu3 Dy1 Cu3 132.336(10) 3_564 2_665
P2 Dy1 Cu3 46.84(7) 3_565 3_565
P2 Dy1 Cu3 94.85(6) 3_564 3_565
P2 Dy1 Cu3 94.11(6) 1_554 3_565
P2 Dy1 Cu3 45.82(7) . 3_565
P2 Dy1 Cu3 103.18(4) 2_665 3_565
P2 Dy1 Cu3 175.33(4) 2_664 3_565
Cu2 Dy1 Cu3 49.01(3) 3_565 3_565
Cu2 Dy1 Cu3 137.45(2) 2_665 3_565
Cu2 Dy1 Cu3 85.37(3) . 3_565
Cu3 Dy1 Cu3 72.18(3) 3_564 3_565
Cu3 Dy1 Cu3 88.83(2) 2_665 3_565
P1 Dy2 P1 81.95(8) 2_655 2_656
P1 Dy2 P1 135.64(3) 2_655 3_666
P1 Dy2 P1 81.66(6) 2_656 3_666
P1 Dy2 P1 81.66(6) 2_655 3_665
P1 Dy2 P1 135.64(3) 2_656 3_665
P1 Dy2 P1 81.95(8) 3_666 3_665
P1 Dy2 P1 135.64(3) 2_655 1_556
P1 Dy2 P1 81.66(6) 2_656 1_556
P1 Dy2 P1 81.66(6) 3_666 1_556
P1 Dy2 P1 135.64(3) 3_665 1_556
P1 Dy2 P1 81.66(6) 2_655 .
P1 Dy2 P1 135.64(3) 2_656 .
P1 Dy2 P1 135.64(3) 3_666 .
P1 Dy2 P1 81.66(6) 3_665 .
P1 Dy2 P1 81.95(8) 1_556 .
P1 Dy2 Cu1 46.46(7) 2_655 .
P1 Dy2 Cu1 95.14(6) 2_656 .
P1 Dy2 Cu1 175.41(4) 3_666 .
P1 Dy2 Cu1 102.62(4) 3_665 .
P1 Dy2 Cu1 94.66(6) 1_556 .
P1 Dy2 Cu1 45.80(7) . .
P1 Dy2 Cu1 94.66(6) 2_655 2_656
P1 Dy2 Cu1 45.80(7) 2_656 2_656
P1 Dy2 Cu1 46.46(7) 3_666 2_656
P1 Dy2 Cu1 95.14(6) 3_665 2_656
P1 Dy2 Cu1 102.62(4) 1_556 2_656
P1 Dy2 Cu1 175.41(4) . 2_656
Cu1 Dy2 Cu1 132.540(11) . 2_656
P1 Dy2 Cu1 45.80(7) 2_655 2_655
P1 Dy2 Cu1 94.66(6) 2_656 2_655
P1 Dy2 Cu1 95.14(6) 3_666 2_655
P1 Dy2 Cu1 46.46(7) 3_665 2_655
P1 Dy2 Cu1 175.41(4) 1_556 2_655
P1 Dy2 Cu1 102.62(4) . 2_655
Cu1 Dy2 Cu1 88.38(2) . 2_655
Cu1 Dy2 Cu1 72.81(3) 2_656 2_655
P1 Dy2 Cu1 95.14(6) 2_655 1_556
P1 Dy2 Cu1 46.46(7) 2_656 1_556
P1 Dy2 Cu1 102.62(4) 3_666 1_556
P1 Dy2 Cu1 175.41(4) 3_665 1_556
P1 Dy2 Cu1 45.80(7) 1_556 1_556
P1 Dy2 Cu1 94.66(6) . 1_556
Cu1 Dy2 Cu1 72.81(3) . 1_556
Cu1 Dy2 Cu1 88.38(2) 2_656 1_556
Cu1 Dy2 Cu1 132.540(11) 2_655 1_556
P1 Dy2 Cu1 175.41(4) 2_655 3_666
P1 Dy2 Cu1 102.62(4) 2_656 3_666
P1 Dy2 Cu1 45.80(7) 3_666 3_666
P1 Dy2 Cu1 94.66(6) 3_665 3_666
P1 Dy2 Cu1 46.46(7) 1_556 3_666
P1 Dy2 Cu1 95.14(6) . 3_666
Cu1 Dy2 Cu1 132.540(11) . 3_666
Cu1 Dy2 Cu1 88.38(2) 2_656 3_666
Cu1 Dy2 Cu1 132.540(11) 2_655 3_666
Cu1 Dy2 Cu1 88.38(2) 1_556 3_666
P1 Dy2 Cu1 102.62(4) 2_655 3_665
P1 Dy2 Cu1 175.41(4) 2_656 3_665
P1 Dy2 Cu1 94.66(6) 3_666 3_665
P1 Dy2 Cu1 45.80(7) 3_665 3_665
P1 Dy2 Cu1 95.14(6) 1_556 3_665
P1 Dy2 Cu1 46.46(7) . 3_665
Cu1 Dy2 Cu1 88.38(2) . 3_665
Cu1 Dy2 Cu1 132.540(11) 2_656 3_665
Cu1 Dy2 Cu1 88.38(2) 2_655 3_665
Cu1 Dy2 Cu1 132.540(11) 1_556 3_665
Cu1 Dy2 Cu1 72.81(3) 3_666 3_665
P1 Cu1 P1 103.89(14) . 2_655
P1 Cu1 P2 114.62(7) . 3_554
P1 Cu1 P2 111.14(9) 2_655 3_554
P1 Cu1 P2 114.62(7) . 3
P1 Cu1 P2 111.14(9) 2_655 3
P2 Cu1 P2 101.66(13) 3_554 3
P1 Cu1 Cu2 101.23(9) . 3
P1 Cu1 Cu2 154.87(10) 2_655 3
P2 Cu1 Cu2 56.86(7) 3_554 3
P2 Cu1 Cu2 56.86(7) 3 3
P1 Cu1 Cu3 124.65(5) . 2_655
P1 Cu1 Cu3 56.00(5) 2_655 2_655
P2 Cu1 Cu3 120.72(8) 3_554 2_655
P2 Cu1 Cu3 55.15(8) 3 2_655
Cu2 Cu1 Cu3 108.44(4) 3 2_655
P1 Cu1 Cu3 124.65(5) . 2_654
P1 Cu1 Cu3 56.00(5) 2_655 2_654
P2 Cu1 Cu3 55.15(8) 3_554 2_654
P2 Cu1 Cu3 120.72(8) 3 2_654
Cu2 Cu1 Cu3 108.44(4) 3 2_654
Cu3 Cu1 Cu3 88.53(4) 2_655 2_654
P1 Cu1 Mn4 60.25(6) . .
P1 Cu1 Mn4 132.58(5) 2_655 .
P2 Cu1 Mn4 116.04(10) 3_554 .
P2 Cu1 Mn4 55.21(7) 3 .
Cu2 Cu1 Mn4 62.19(5) 3 .
Cu3 Cu1 Mn4 94.46(3) 2_655 .
Cu3 Cu1 Mn4 170.63(5) 2_654 .
P1 Cu1 Mn4 60.24(6) . 1_554
P1 Cu1 Mn4 132.58(5) 2_655 1_554
P2 Cu1 Mn4 55.21(7) 3_554 1_554
P2 Cu1 Mn4 116.04(10) 3 1_554
Cu2 Cu1 Mn4 62.19(5) 3 1_554
Cu3 Cu1 Mn4 170.63(5) 2_655 1_554
Cu3 Cu1 Mn4 94.46(3) 2_654 1_554
Mn4 Cu1 Mn4 81.25(6) . 1_554
P1 Cu1 Dy2 60.37(6) . .
P1 Cu1 Dy2 60.14(6) 2_655 .
P2 Cu1 Dy2 165.37(8) 3_554 .
P2 Cu1 Dy2 92.71(6) 3 .
Cu2 Cu1 Dy2 135.99(3) 3 .
Cu3 Cu1 Dy2 65.82(3) 2_655 .
Cu3 Cu1 Dy2 114.76(4) 2_654 .
Mn4 Cu1 Dy2 74.51(4) . .
Mn4 Cu1 Dy2 120.38(6) 1_554 .
P1 Cu1 Dy2 60.37(6) . 1_554
P1 Cu1 Dy2 60.15(6) 2_655 1_554
P2 Cu1 Dy2 92.71(6) 3_554 1_554
P2 Cu1 Dy2 165.37(8) 3 1_554
Cu2 Cu1 Dy2 135.99(3) 3 1_554
Cu3 Cu1 Dy2 114.76(4) 2_655 1_554
Cu3 Cu1 Dy2 65.82(3) 2_654 1_554
Mn4 Cu1 Dy2 120.38(6) . 1_554
Mn4 Cu1 Dy2 74.51(4) 1_554 1_554
Dy2 Cu1 Dy2 72.81(3) . 1_554
P1 Cu1 Dy1 165.49(9) . 1_545
P1 Cu1 Dy1 90.62(8) 2_655 1_545
P2 Cu1 Dy1 58.51(7) 3_554 1_545
P2 Cu1 Dy1 58.51(7) 3 1_545
Cu2 Cu1 Dy1 64.25(4) 3 1_545
Cu3 Cu1 Dy1 63.81(3) 2_655 1_545
Cu3 Cu1 Dy1 63.81(3) 2_654 1_545
Mn4 Cu1 Dy1 109.67(5) . 1_545
Mn4 Cu1 Dy1 109.67(5) 1_554 1_545
Dy2 Cu1 Dy1 129.63(3) . 1_545
Dy2 Cu1 Dy1 129.63(3) 1_554 1_545
P3 Cu2 P1 97.95(9) . .
P3 Cu2 P2 114.87(8) . .
P1 Cu2 P2 113.89(11) . .
P3 Cu2 P2 114.87(8) . 1_554
P1 Cu2 P2 113.89(11) . 1_554
P2 Cu2 P2 102.06(12) . 1_554
P3 Cu2 Cu1 101.70(5) . 2
P1 Cu2 Cu1 160.36(10) . 2
P2 Cu2 Cu1 57.10(7) . 2
P2 Cu2 Cu1 57.10(7) 1_554 2
P3 Cu2 Cu3 120.86(5) . .
P1 Cu2 Cu3 56.75(6) . .
P2 Cu2 Cu3 57.14(8) . .
P2 Cu2 Cu3 124.19(9) 1_554 .
Cu1 Cu2 Cu3 111.60(6) 2 .
P3 Cu2 Cu3 120.86(5) . 1_554
P1 Cu2 Cu3 56.75(6) . 1_554
P2 Cu2 Cu3 124.19(9) . 1_554
P2 Cu2 Cu3 57.14(8) 1_554 1_554
Cu1 Cu2 Cu3 111.59(6) 2 1_554
Cu3 Cu2 Cu3 90.52(6) . 1_554
P3 Cu2 Mn4 60.25(4) . 1_554
P1 Cu2 Mn4 60.68(7) . 1_554
P2 Cu2 Mn4 170.29(8) . 1_554
P2 Cu2 Mn4 87.65(6) 1_554 1_554
Cu1 Cu2 Mn4 130.74(4) 2 1_554
Cu3 Cu2 Mn4 116.86(7) . 1_554
Cu3 Cu2 Mn4 60.90(4) 1_554 1_554
P3 Cu2 Mn4 60.25(4) . .
P1 Cu2 Mn4 60.68(7) . .
P2 Cu2 Mn4 87.65(6) . .
P2 Cu2 Mn4 170.29(8) 1_554 .
Cu1 Cu2 Mn4 130.74(4) 2 .
Cu3 Cu2 Mn4 60.90(4) . .
Cu3 Cu2 Mn4 116.86(7) 1_554 .
Mn4 Cu2 Mn4 82.65(6) 1_554 .
P3 Cu2 Mn4 60.01(4) . 2_554
P1 Cu2 Mn4 128.91(5) . 2_554
P2 Cu2 Mn4 117.20(10) . 2_554
P2 Cu2 Mn4 55.64(7) 1_554 2_554
Cu1 Cu2 Mn4 63.17(5) 2 2_554
Cu3 Cu2 Mn4 174.32(6) . 2_554
Cu3 Cu2 Mn4 93.55(3) 1_554 2_554
Mn4 Cu2 Mn4 68.68(6) 1_554 2_554
Mn4 Cu2 Mn4 120.26(5) . 2_554
P3 Cu2 Mn4 60.01(4) . 2
P1 Cu2 Mn4 128.91(5) . 2
P2 Cu2 Mn4 55.64(7) . 2
P2 Cu2 Mn4 117.20(10) 1_554 2
Cu1 Cu2 Mn4 63.17(5) 2 2
Cu3 Cu2 Mn4 93.55(3) . 2
Cu3 Cu2 Mn4 174.32(6) 1_554 2
Mn4 Cu2 Mn4 120.26(5) 1_554 2
Mn4 Cu2 Mn4 68.68(6) . 2
Mn4 Cu2 Mn4 82.12(6) 2_554 2
P3 Cu2 Dy1 169.26(5) . .
P1 Cu2 Dy1 92.80(9) . .
P2 Cu2 Dy1 59.97(7) . .
P2 Cu2 Dy1 59.97(7) 1_554 .
Cu1 Cu2 Dy1 67.56(4) 2 .
Cu3 Cu2 Dy1 65.54(4) . .
Cu3 Cu2 Dy1 65.54(4) 1_554 .
Mn4 Cu2 Dy1 126.34(3) 1_554 .
Mn4 Cu2 Dy1 126.34(3) . .
Mn4 Cu2 Dy1 112.70(4) 2_554 .
Mn4 Cu2 Dy1 112.70(4) 2 .
P2 Cu3 P1 112.41(9) 2_665 .
P2 Cu3 P1 112.41(9) 2_665 1_556
P1 Cu3 P1 102.90(13) . 1_556
P2 Cu3 P2 103.61(14) 2_665 .
P1 Cu3 P2 112.92(7) . .
P1 Cu3 P2 112.92(7) 1_556 .
P2 Cu3 Cu2 123.86(6) 2_665 1_556
P1 Cu3 Cu2 123.72(10) . 1_556
P1 Cu3 Cu2 56.22(8) 1_556 1_556
P2 Cu3 Cu2 56.69(5) . 1_556
P2 Cu3 Cu2 123.86(6) 2_665 .
P1 Cu3 Cu2 56.22(8) . .
P1 Cu3 Cu2 123.71(10) 1_556 .
P2 Cu3 Cu2 56.69(5) . .
Cu2 Cu3 Cu2 90.53(6) 1_556 .
P2 Cu3 Cu1 56.68(5) 2_665 3_666
P1 Cu3 Cu1 121.92(8) . 3_666
P1 Cu3 Cu1 55.74(8) 1_556 3_666
P2 Cu3 Cu1 125.16(4) . 3_666
Cu2 Cu3 Cu1 90.45(3) 1_556 3_666
Cu2 Cu3 Cu1 178.11(6) . 3_666
P2 Cu3 Cu1 56.68(5) 2_665 3_665
P1 Cu3 Cu1 55.74(8) . 3_665
P1 Cu3 Cu1 121.92(8) 1_556 3_665
P2 Cu3 Cu1 125.16(4) . 3_665
Cu2 Cu3 Cu1 178.11(6) 1_556 3_665
Cu2 Cu3 Cu1 90.45(3) . 3_665
Cu1 Cu3 Cu1 88.53(4) 3_666 3_665
P2 Cu3 Mn4 167.66(10) 2_665 .
P1 Cu3 Mn4 61.46(8) . .
P1 Cu3 Mn4 61.46(8) 1_556 .
P2 Cu3 Mn4 88.73(8) . .
Cu2 Cu3 Mn4 63.10(5) 1_556 .
Cu2 Cu3 Mn4 63.10(5) . .
Cu1 Cu3 Mn4 116.00(4) 3_666 .
Cu1 Cu3 Mn4 116.00(4) 3_665 .
P2 Cu3 Dy1 60.19(6) 2_665 1_556
P1 Cu3 Dy1 164.64(7) . 1_556
P1 Cu3 Dy1 92.46(6) 1_556 1_556
P2 Cu3 Dy1 59.85(6) . 1_556
Cu2 Cu3 Dy1 65.45(4) 1_556 1_556
Cu2 Cu3 Dy1 114.92(6) . 1_556
Cu1 Cu3 Dy1 66.96(3) 3_666 1_556
Cu1 Cu3 Dy1 115.52(4) 3_665 1_556
Mn4 Cu3 Dy1 128.45(4) . 1_556
P2 Cu3 Dy1 60.19(6) 2_665 .
P1 Cu3 Dy1 92.46(6) . .
P1 Cu3 Dy1 164.64(7) 1_556 .
P2 Cu3 Dy1 59.85(6) . .
Cu2 Cu3 Dy1 114.92(6) 1_556 .
Cu2 Cu3 Dy1 65.46(4) . .
Cu1 Cu3 Dy1 115.52(4) 3_666 .
Cu1 Cu3 Dy1 66.96(3) 3_665 .
Mn4 Cu3 Dy1 128.45(4) . .
Dy1 Cu3 Dy1 72.18(3) 1_556 .
P2 Cu3 Dy2 92.52(9) 2_665 .
P1 Cu3 Dy2 59.38(7) . .
P1 Cu3 Dy2 59.38(7) 1_556 .
P2 Cu3 Dy2 163.86(8) . .
Cu2 Cu3 Dy2 113.90(5) 1_556 .
Cu2 Cu3 Dy2 113.90(5) . .
Cu1 Cu3 Dy2 64.22(3) 3_666 .
Cu1 Cu3 Dy2 64.22(3) 3_665 .
Mn4 Cu3 Dy2 75.13(5) . .
Dy1 Cu3 Dy2 131.18(3) 1_556 .
Dy1 Cu3 Dy2 131.18(3) . .
P2 Mn4 P3 102.88(6) 3 .
P2 Mn4 P3 102.88(6) 3 1_556
P3 Mn4 P3 90.63(5) . 1_556
P2 Mn4 P1 102.42(11) 3 .
P3 Mn4 P1 84.51(5) . .
P3 Mn4 P1 154.69(10) 1_556 .
P2 Mn4 P1 102.42(11) 3 1_556
P3 Mn4 P1 154.69(10) . 1_556
P3 Mn4 P1 84.51(5) 1_556 1_556
P1 Mn4 P1 89.34(11) . 1_556
P2 Mn4 Cu3 137.98(10) 3 .
P3 Mn4 Cu3 106.31(5) . .
P3 Mn4 Cu3 106.31(5) 1_556 .
P1 Mn4 Cu3 52.15(7) . .
P1 Mn4 Cu3 52.15(7) 1_556 .
P2 Mn4 Cu2 138.67(3) 3 .
P3 Mn4 Cu2 50.54(3) . .
P3 Mn4 Cu2 107.66(6) 1_556 .
P1 Mn4 Cu2 51.17(7) . .
P1 Mn4 Cu2 107.54(9) 1_556 .
Cu3 Mn4 Cu2 56.00(4) . .
P2 Mn4 Cu2 138.68(3) 3 1_556
P3 Mn4 Cu2 107.66(6) . 1_556
P3 Mn4 Cu2 50.54(3) 1_556 1_556
P1 Mn4 Cu2 107.54(9) . 1_556
P1 Mn4 Cu2 51.17(7) 1_556 1_556
Cu3 Mn4 Cu2 56.00(4) . 1_556
Cu2 Mn4 Cu2 82.65(6) . 1_556
P2 Mn4 Cu2 53.13(5) 3 3
P3 Mn4 Cu2 50.37(3) . 3
P3 Mn4 Cu2 107.23(6) 1_556 3
P1 Mn4 Cu2 88.67(5) . 3
P1 Mn4 Cu2 154.20(10) 1_556 3
Cu3 Mn4 Cu2 138.71(3) . 3
Cu2 Mn4 Cu2 91.02(3) . 3
Cu2 Mn4 Cu2 152.28(7) 1_556 3
P2 Mn4 Cu2 53.13(5) 3 3_556
P3 Mn4 Cu2 107.23(6) . 3_556
P3 Mn4 Cu2 50.37(3) 1_556 3_556
P1 Mn4 Cu2 154.20(10) . 3_556
P1 Mn4 Cu2 88.67(5) 1_556 3_556
Cu3 Mn4 Cu2 138.71(3) . 3_556
Cu2 Mn4 Cu2 152.28(7) . 3_556
Cu2 Mn4 Cu2 91.02(3) 1_556 3_556
Cu2 Mn4 Cu2 82.12(6) 3 3_556
P2 Mn4 Cu1 52.94(6) 3 1_556
P3 Mn4 Cu1 154.82(7) . 1_556
P3 Mn4 Cu1 88.80(2) 1_556 1_556
P1 Mn4 Cu1 105.94(9) . 1_556
P1 Mn4 Cu1 50.14(7) 1_556 1_556
Cu3 Mn4 Cu1 97.98(6) . 1_556
Cu2 Mn4 Cu1 151.84(7) . 1_556
Cu2 Mn4 Cu1 91.25(3) 1_556 1_556
Cu2 Mn4 Cu1 106.07(6) 3 1_556
Cu2 Mn4 Cu1 54.65(4) 3_556 1_556
P2 Mn4 Cu1 52.94(6) 3 .
P3 Mn4 Cu1 88.80(2) . .
P3 Mn4 Cu1 154.82(7) 1_556 .
P1 Mn4 Cu1 50.14(7) . .
P1 Mn4 Cu1 105.93(9) 1_556 .
Cu3 Mn4 Cu1 97.98(6) . .
Cu2 Mn4 Cu1 91.25(3) . .
Cu2 Mn4 Cu1 151.84(7) 1_556 .
Cu2 Mn4 Cu1 54.65(4) 3 .
Cu2 Mn4 Cu1 106.07(6) 3_556 .
Cu1 Mn4 Cu1 81.25(6) 1_556 .
Cu1 P1 Cu2 119.13(13) . .
Cu1 P1 Cu1 136.11(14) . 3_665
Cu2 P1 Cu1 104.77(13) . 3_665
Cu1 P1 Cu3 127.91(7) . .
Cu2 P1 Cu3 67.03(8) . .
Cu1 P1 Cu3 68.26(8) 3_665 .
Cu1 P1 Cu3 127.91(7) . 1_554
Cu2 P1 Cu3 67.03(8) . 1_554
Cu1 P1 Cu3 68.26(8) 3_665 1_554
Cu3 P1 Cu3 102.90(13) . 1_554
Cu1 P1 Mn4 69.61(8) . 1_554
Cu2 P1 Mn4 68.16(8) . 1_554
Cu1 P1 Mn4 132.92(7) 3_665 1_554
Cu3 P1 Mn4 134.35(14) . 1_554
Cu3 P1 Mn4 66.39(6) 1_554 1_554
Cu1 P1 Mn4 69.61(8) . .
Cu2 P1 Mn4 68.16(8) . .
Cu1 P1 Mn4 132.92(7) 3_665 .
Cu3 P1 Mn4 66.39(6) . .
Cu3 P1 Mn4 134.35(14) 1_554 .
Mn4 P1 Mn4 89.34(11) 1_554 .
Cu1 P1 Dy2 73.83(8) . 1_554
Cu2 P1 Dy2 138.47(5) . 1_554
Cu1 P1 Dy2 73.39(7) 3_665 1_554
Cu3 P1 Dy2 139.22(13) . 1_554
Cu3 P1 Dy2 74.43(5) 1_554 1_554
Mn4 P1 Dy2 82.94(5) 1_554 1_554
Mn4 P1 Dy2 143.04(13) . 1_554
Cu1 P1 Dy2 73.83(8) . .
Cu2 P1 Dy2 138.47(5) . .
Cu1 P1 Dy2 73.39(7) 3_665 .
Cu3 P1 Dy2 74.43(5) . .
Cu3 P1 Dy2 139.22(13) 1_554 .
Mn4 P1 Dy2 143.04(13) 1_554 .
Mn4 P1 Dy2 82.94(5) . .
Dy2 P1 Dy2 81.95(8) 1_554 .
Cu3 P2 Cu2 128.68(6) 3_565 1_556
Cu3 P2 Cu2 128.68(6) 3_565 .
Cu2 P2 Cu2 102.06(12) 1_556 .
Cu3 P2 Cu1 68.16(8) 3_565 2
Cu2 P2 Cu1 143.08(14) 1_556 2
Cu2 P2 Cu1 66.04(5) . 2
Cu3 P2 Cu1 68.16(8) 3_565 2_556
Cu2 P2 Cu1 66.04(5) 1_556 2_556
Cu2 P2 Cu1 143.08(14) . 2_556
Cu1 P2 Cu1 101.66(13) 2 2_556
Cu3 P2 Cu3 136.39(14) 3_565 .
Cu2 P2 Cu3 66.17(8) 1_556 .
Cu2 P2 Cu3 66.17(8) . .
Cu1 P2 Cu3 128.42(7) 2 .
Cu1 P2 Cu3 128.42(7) 2_556 .
Cu3 P2 Mn4 114.36(14) 3_565 2
Cu2 P2 Mn4 71.23(8) 1_556 2
Cu2 P2 Mn4 71.23(8) . 2
Cu1 P2 Mn4 71.85(9) 2 2
Cu1 P2 Mn4 71.85(9) 2_556 2
Cu3 P2 Mn4 109.25(11) . 2
Cu3 P2 Dy1 73.99(7) 3_565 1_556
Cu2 P2 Dy1 73.42(5) 1_556 1_556
Cu2 P2 Dy1 136.82(14) . 1_556
Cu1 P2 Dy1 139.77(12) 2 1_556
Cu1 P2 Dy1 75.63(5) 2_556 1_556
Cu3 P2 Dy1 73.31(8) . 1_556
Mn4 P2 Dy1 139.18(4) 2 1_556
Cu3 P2 Dy1 73.99(7) 3_565 .
Cu2 P2 Dy1 136.82(14) 1_556 .
Cu2 P2 Dy1 73.42(5) . .
Cu1 P2 Dy1 75.63(5) 2 .
Cu1 P2 Dy1 139.77(12) 2_556 .
Cu3 P2 Dy1 73.31(8) . .
Mn4 P2 Dy1 139.18(4) 2 .
Dy1 P2 Dy1 81.46(8) 1_556 .
Cu2 P3 Cu2 120.0 . 2
Cu2 P3 Cu2 120.0 . 3
Cu2 P3 Cu2 120.0 2 3
Cu2 P3 Mn4 134.68(3) . 3_554
Cu2 P3 Mn4 69.63(4) 2 3_554
Cu2 P3 Mn4 69.20(4) 3 3_554
Cu2 P3 Mn4 69.20(4) . .
Cu2 P3 Mn4 134.68(3) 2 .
Cu2 P3 Mn4 69.63(4) 3 .
Mn4 P3 Mn4 138.83(2) 3_554 .
Cu2 P3 Mn4 69.63(4) . 2
Cu2 P3 Mn4 69.20(4) 2 2
Cu2 P3 Mn4 134.68(3) 3 2
Mn4 P3 Mn4 138.83(2) 3_554 2
Mn4 P3 Mn4 75.03(4) . 2
Cu2 P3 Mn4 69.63(4) . 2_554
Cu2 P3 Mn4 69.20(4) 2 2_554
Cu2 P3 Mn4 134.68(3) 3 2_554
Mn4 P3 Mn4 75.03(4) 3_554 2_554
Mn4 P3 Mn4 138.83(2) . 2_554
Mn4 P3 Mn4 90.63(5) 2 2_554
Cu2 P3 Mn4 134.68(3) . 3
Cu2 P3 Mn4 69.63(4) 2 3
Cu2 P3 Mn4 69.20(4) 3 3
Mn4 P3 Mn4 90.63(5) 3_554 3
Mn4 P3 Mn4 75.03(4) . 3
Mn4 P3 Mn4 75.03(4) 2 3
Mn4 P3 Mn4 138.83(2) 2_554 3
Cu2 P3 Mn4 69.20(4) . 1_554
Cu2 P3 Mn4 134.68(3) 2 1_554
Cu2 P3 Mn4 69.63(4) 3 1_554
Mn4 P3 Mn4 75.03(4) 3_554 1_554
Mn4 P3 Mn4 90.63(5) . 1_554
Mn4 P3 Mn4 138.83(2) 2 1_554
Mn4 P3 Mn4 75.03(4) 2_554 1_554
Mn4 P3 Mn4 138.83(2) 3 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 P2 2.894(2) 3_565
Dy1 P2 2.894(2) 3_564
Dy1 P2 2.894(2) 1_554
Dy1 P2 2.894(2) .
Dy1 P2 2.894(2) 2_665
Dy1 P2 2.894(2) 2_664
Dy1 Cu2 3.2033(13) 3_565
Dy1 Cu2 3.2033(13) 2_665
Dy1 Cu2 3.2033(13) .
Dy1 Cu3 3.2054(12) 3_564
Dy1 Cu3 3.2054(12) 2_665
Dy1 Cu3 3.2054(12) 3_565
Dy2 P1 2.879(2) 2_655
Dy2 P1 2.879(2) 2_656
Dy2 P1 2.879(2) 3_666
Dy2 P1 2.879(2) 3_665
Dy2 P1 2.879(2) 1_556
Dy2 P1 2.879(2) .
Dy2 Cu1 3.1814(12) .
Dy2 Cu1 3.1814(12) 2_656
Dy2 Cu1 3.1814(12) 2_655
Dy2 Cu1 3.1814(12) 1_556
Dy2 Cu1 3.1814(12) 3_666
Dy2 Cu1 3.1814(12) 3_665
Cu1 P1 2.375(4) .
Cu1 P1 2.407(3) 2_655
Cu1 P2 2.435(2) 3_554
Cu1 P2 2.435(2) 3
Cu1 Cu2 2.6505(19) 3
Cu1 Cu3 2.7050(9) 2_655
Cu1 Cu3 2.7050(9) 2_654
Cu1 Mn4 2.8998(18) .
Cu1 Mn4 2.8998(18) 1_554
Cu1 Dy2 3.1814(12) 1_554
Cu1 Dy1 3.2872(16) 1_545
Cu2 P3 2.3614(12) .
Cu2 P1 2.400(3) .
Cu2 P2 2.429(2) .
Cu2 P2 2.429(2) 1_554
Cu2 Cu1 2.650(2) 2
Cu2 Cu3 2.6580(13) .
Cu2 Cu3 2.6580(13) 1_554
Cu2 Mn4 2.8592(18) 1_554
Cu2 Mn4 2.8593(18) .
Cu2 Mn4 2.8743(18) 2_554
Cu2 Mn4 2.8743(18) 2
Cu3 P2 2.392(4) 2_665
Cu3 P1 2.414(2) .
Cu3 P1 2.414(2) 1_556
Cu3 P2 2.441(4) .
Cu3 Cu2 2.6579(13) 1_556
Cu3 Cu1 2.7050(9) 3_666
Cu3 Cu1 2.7050(9) 3_665
Cu3 Mn4 2.801(2) .
Cu3 Dy1 3.2054(12) 1_556
Mn4 P2 2.506(3) 3
Mn4 P3 2.6555(13) .
Mn4 P3 2.6555(13) 1_556
Mn4 P1 2.686(3) .
Mn4 P1 2.686(3) 1_556
Mn4 Cu2 2.8593(18) 1_556
Mn4 Cu2 2.8743(18) 3
Mn4 Cu2 2.8743(18) 3_556
Mn4 Cu1 2.8998(18) 1_556
P1 Cu1 2.407(3) 3_665
P1 Cu3 2.414(2) 1_554
P1 Mn4 2.686(3) 1_554
P1 Dy2 2.879(2) 1_554
P2 Cu3 2.392(4) 3_565
P2 Cu2 2.428(2) 1_556
P2 Cu1 2.435(2) 2
P2 Cu1 2.435(2) 2_556
P2 Mn4 2.506(3) 2
P2 Dy1 2.894(2) 1_556
P3 Cu2 2.3614(12) 2
P3 Cu2 2.3614(12) 3
P3 Mn4 2.6555(13) 3_554
P3 Mn4 2.6555(13) 2
P3 Mn4 2.6555(13) 2_554
P3 Mn4 2.6555(13) 3
P3 Mn4 2.6555(13) 1_554
