#------------------------------------------------------------------------------
#$Date: 2017-04-21 01:37:33 +0300 (Fri, 21 Apr 2017) $
#$Revision: 195632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/57/4345717.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_4345717
loop_
_publ_author_name
'Zhang, Lei'
'Matsushita, Yoshitaka'
'Yamaura, Kazunari'
'Belik, Alexei A.'
_publ_section_title
;
 Five-Fold Ordering in High-Pressure Perovskites RMn3O6 (R = Gd--Tm and Y)
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/acs.inorgchem.7b00347
_journal_year                    2017
_chemical_formula_sum            'Dy Mn3 O6'
_chemical_formula_weight         423.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           59
_space_group_name_Hall           '-P 2ab 2a'
_space_group_name_H-M_alt        'P m m n'
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2479(2)
_cell_length_b                   7.4525(3)
_cell_length_c                   7.8022(2)
_cell_measurement_reflns_used    5295
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      46.23
_cell_measurement_theta_min      2.61
_cell_volume                     421.44(2)
_computing_cell_refinement       'CrystalClear (Rigaku, 1997--2002)'
_computing_data_collection       'CrystalClear (Rigaku, 1997--2002)'
_computing_data_reduction        'CrystalClear (Rigaku, 1997--2002)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device
;
Rigaku AFC11 Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11532
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         46.335
_diffrn_reflns_theta_min         3.781
_exptl_absorpt_coefficient_mu    26.248
_exptl_absorpt_correction_T_max  0.5056
_exptl_absorpt_correction_T_min  0.4348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrystalClear (Rigaku, 1997--2002)
;
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.672
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.034
_exptl_crystal_size_mid          0.033
_exptl_crystal_size_min          0.031
_refine_diff_density_max         5.478
_refine_diff_density_min         -3.255
_refine_diff_density_rms         0.597
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1974
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0462
_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)+(0.0341P)²+9.8547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1063
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1613
_reflns_number_total             1974
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic7b00347_si_002.cif
_cod_data_source_block           shelx
_cod_database_code               4345717
_shelx_shelxl_version_number     2014/7
_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   0.469
_shelx_estimated_absorpt_t_max   0.497
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y, -z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x-1/2, y, z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.2500 0.2500 0.77911(4) 0.00559(8) Uani 1 4 d S T P
Dy2 Dy 0.2500 0.2500 0.28309(4) 0.00610(8) Uani 1 4 d S T P
Mn1 Mn 0.7500 0.2500 0.71992(16) 0.00623(18) Uani 1 4 d S T P
Mn2 Mn 0.7500 0.2500 0.23984(13) 0.00223(15) Uani 1 4 d S T P
Mn3 Mn 0.5000 0.0000 0.0000 0.00381(12) Uani 1 2 d S . P
Mn4 Mn 0.0000 0.5000 0.5000 0.00361(12) Uani 1 2 d S . P
O1 O 0.4362(4) -0.0685(4) 0.2676(3) 0.0065(4) Uani 1 1 d . . .
O2 O 0.0569(6) 0.2500 0.0403(5) 0.0060(6) Uani 1 2 d S T P
O3 O 0.2500 0.5292(6) 0.9231(5) 0.0050(5) Uani 1 2 d S T P
O4 O 0.5398(6) 0.2500 0.4157(5) 0.0116(8) Uani 1 2 d S T P
O5 O 0.2500 0.4329(6) 0.5392(5) 0.0053(6) Uani 1 2 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
Dy Dy -0.1892 4.4098 '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'
O O 0.0106 0.0060 '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
O5 Dy1 O5 72.1(2) 2 .
O5 Dy1 O3 154.43(15) 2 .
O5 Dy1 O3 82.29(15) . .
O5 Dy1 O3 82.29(15) 2 2
O5 Dy1 O3 154.43(15) . 2
O3 Dy1 O3 123.3(2) . 2
O5 Dy1 O2 131.78(9) 2 2_556
O5 Dy1 O2 131.78(9) . 2_556
O3 Dy1 O2 66.95(8) . 2_556
O3 Dy1 O2 66.95(8) 2 2_556
O5 Dy1 O2 131.78(9) 2 1_556
O5 Dy1 O2 131.78(9) . 1_556
O3 Dy1 O2 66.95(8) . 1_556
O3 Dy1 O2 66.95(8) 2 1_556
O2 Dy1 O2 68.96(19) 2_556 1_556
O5 Dy1 O1 65.89(7) 2 3_456
O5 Dy1 O1 100.82(8) . 3_456
O3 Dy1 O1 120.69(7) . 3_456
O3 Dy1 O1 67.62(8) 2 3_456
O2 Dy1 O1 126.48(10) 2_556 3_456
O2 Dy1 O1 68.31(10) 1_556 3_456
O5 Dy1 O1 100.82(8) 2 4_656
O5 Dy1 O1 65.89(7) . 4_656
O3 Dy1 O1 67.62(8) . 4_656
O3 Dy1 O1 120.69(7) 2 4_656
O2 Dy1 O1 68.31(10) 2_556 4_656
O2 Dy1 O1 126.48(10) 1_556 4_656
O1 Dy1 O1 164.31(11) 3_456 4_656
O5 Dy1 O1 100.82(8) 2 6_566
O5 Dy1 O1 65.89(7) . 6_566
O3 Dy1 O1 67.62(8) . 6_566
O3 Dy1 O1 120.69(7) 2 6_566
O2 Dy1 O1 126.48(10) 2_556 6_566
O2 Dy1 O1 68.31(10) 1_556 6_566
O1 Dy1 O1 60.84(14) 3_456 6_566
O1 Dy1 O1 116.75(13) 4_656 6_566
O5 Dy1 O1 65.89(7) 2 5_656
O5 Dy1 O1 100.82(8) . 5_656
O3 Dy1 O1 120.69(7) . 5_656
O3 Dy1 O1 67.62(8) 2 5_656
O2 Dy1 O1 68.31(10) 2_556 5_656
O2 Dy1 O1 126.48(10) 1_556 5_656
O1 Dy1 O1 116.75(13) 3_456 5_656
O1 Dy1 O1 60.84(14) 4_656 5_656
O1 Dy1 O1 164.31(11) 6_566 5_656
O5 Dy1 Mn3 142.98(3) 2 4_656
O5 Dy1 Mn3 95.45(9) . 4_656
O3 Dy1 Mn3 37.98(3) . 4_656
O3 Dy1 Mn3 105.26(8) 2 4_656
O2 Dy1 Mn3 38.32(3) 2_556 4_656
O2 Dy1 Mn3 82.72(8) 1_556 4_656
O1 Dy1 Mn3 150.77(6) 3_456 4_656
O1 Dy1 Mn3 43.80(6) 4_656 4_656
O1 Dy1 Mn3 105.53(7) 6_566 4_656
O1 Dy1 Mn3 83.29(6) 5_656 4_656
O5 Dy1 Mn3 95.45(9) 2 1_556
O5 Dy1 Mn3 142.98(3) . 1_556
O3 Dy1 Mn3 105.26(8) . 1_556
O3 Dy1 Mn3 37.98(3) 2 1_556
O2 Dy1 Mn3 38.32(3) 2_556 1_556
O2 Dy1 Mn3 82.72(8) 1_556 1_556
O1 Dy1 Mn3 105.53(7) 3_456 1_556
O1 Dy1 Mn3 83.29(6) 4_656 1_556
O1 Dy1 Mn3 150.77(6) 6_566 1_556
O1 Dy1 Mn3 43.80(6) 5_656 1_556
Mn3 Dy1 Mn3 73.375(6) 4_656 1_556
O4 Dy2 O4 127.5(2) 2 .
O4 Dy2 O2 152.69(15) 2 2
O4 Dy2 O2 79.77(15) . 2
O4 Dy2 O2 79.77(15) 2 .
O4 Dy2 O2 152.69(15) . .
O2 Dy2 O2 72.9(2) 2 .
O4 Dy2 O5 68.59(9) 2 .
O4 Dy2 O5 68.59(9) . .
O2 Dy2 O5 131.64(9) 2 .
O2 Dy2 O5 131.64(9) . .
O4 Dy2 O5 68.59(9) 2 2
O4 Dy2 O5 68.59(9) . 2
O2 Dy2 O5 131.64(9) 2 2
O2 Dy2 O5 131.64(9) . 2
O5 Dy2 O5 68.6(2) . 2
O4 Dy2 O1 64.95(7) 2 7_655
O4 Dy2 O1 117.54(7) . 7_655
O2 Dy2 O1 104.94(7) 2 7_655
O2 Dy2 O1 70.80(7) . 7_655
O5 Dy2 O1 121.73(10) . 7_655
O5 Dy2 O1 63.07(10) 2 7_655
O4 Dy2 O1 117.54(7) 2 8_565
O4 Dy2 O1 64.95(7) . 8_565
O2 Dy2 O1 70.80(7) 2 8_565
O2 Dy2 O1 104.94(7) . 8_565
O5 Dy2 O1 63.07(10) . 8_565
O5 Dy2 O1 121.73(10) 2 8_565
O1 Dy2 O1 174.94(11) 7_655 8_565
O4 Dy2 O1 64.95(7) 2 2
O4 Dy2 O1 117.54(7) . 2
O2 Dy2 O1 104.94(7) 2 2
O2 Dy2 O1 70.80(7) . 2
O5 Dy2 O1 63.07(10) . 2
O5 Dy2 O1 121.73(10) 2 2
O1 Dy2 O1 120.57(13) 7_655 2
O1 Dy2 O1 59.17(13) 8_565 2
O4 Dy2 O1 117.54(7) 2 .
O4 Dy2 O1 64.95(7) . .
O2 Dy2 O1 70.80(7) 2 .
O2 Dy2 O1 104.94(7) . .
O5 Dy2 O1 121.73(10) . .
O5 Dy2 O1 63.07(10) 2 .
O1 Dy2 O1 59.17(13) 7_655 .
O1 Dy2 O1 120.57(13) 8_565 .
O1 Dy2 O1 174.94(11) 2 .
O4 Dy2 Mn4 106.44(8) 2 3_566
O4 Dy2 Mn4 40.07(4) . 3_566
O2 Dy2 Mn4 95.26(8) 2 3_566
O2 Dy2 Mn4 141.82(3) . 3_566
O5 Dy2 Mn4 37.88(3) . 3_566
O5 Dy2 Mn4 83.55(8) 2 3_566
O1 Dy2 Mn4 146.54(6) 7_655 3_566
O1 Dy2 Mn4 38.18(6) 8_565 3_566
O1 Dy2 Mn4 77.92(6) 2 3_566
O1 Dy2 Mn4 104.92(6) . 3_566
O4 Dy2 Mn4 40.07(4) 2 .
O4 Dy2 Mn4 106.44(8) . .
O2 Dy2 Mn4 141.82(3) 2 .
O2 Dy2 Mn4 95.26(8) . .
O5 Dy2 Mn4 37.88(3) . .
O5 Dy2 Mn4 83.55(8) 2 .
O1 Dy2 Mn4 104.92(6) 7_655 .
O1 Dy2 Mn4 77.92(6) 8_565 .
O1 Dy2 Mn4 38.18(6) 2 .
O1 Dy2 Mn4 146.54(6) . .
Mn4 Dy2 Mn4 71.500(5) 3_566 .
O1 Mn1 O1 174.18(17) 6_666 5_656
O1 Mn1 O1 89.7(2) 6_666 4_656
O1 Mn1 O1 90.0(2) 5_656 4_656
O1 Mn1 O1 90.0(2) 6_666 3_556
O1 Mn1 O1 89.7(2) 5_656 3_556
O1 Mn1 O1 174.18(17) 4_656 3_556
O1 Mn1 Mn4 149.47(10) 6_666 2
O1 Mn1 Mn4 36.35(8) 5_656 2
O1 Mn1 Mn4 92.32(9) 4_656 2
O1 Mn1 Mn4 90.88(9) 3_556 2
O1 Mn1 Mn4 90.88(9) 6_666 3_566
O1 Mn1 Mn4 92.32(9) 5_656 3_566
O1 Mn1 Mn4 36.35(8) 4_656 3_566
O1 Mn1 Mn4 149.47(10) 3_556 3_566
Mn4 Mn1 Mn4 73.490(19) 2 3_566
O1 Mn1 Mn4 36.35(8) 6_666 1_655
O1 Mn1 Mn4 149.47(10) 5_656 1_655
O1 Mn1 Mn4 90.88(9) 4_656 1_655
O1 Mn1 Mn4 92.32(9) 3_556 1_655
Mn4 Mn1 Mn4 113.13(4) 2 1_655
Mn4 Mn1 Mn4 71.158(18) 3_566 1_655
O1 Mn1 Mn4 92.32(9) 6_666 4_646
O1 Mn1 Mn4 90.88(9) 5_656 4_646
O1 Mn1 Mn4 149.47(10) 4_656 4_646
O1 Mn1 Mn4 36.35(8) 3_556 4_646
Mn4 Mn1 Mn4 71.158(18) 2 4_646
Mn4 Mn1 Mn4 113.13(4) 3_566 4_646
Mn4 Mn1 Mn4 73.490(19) 1_655 4_646
O4 Mn2 O4 96.0(3) 2_655 .
O4 Mn2 O3 114.15(9) 2_655 6_656
O4 Mn2 O3 114.15(9) . 6_656
O4 Mn2 O3 114.15(9) 2_655 5_666
O4 Mn2 O3 114.15(9) . 5_666
O3 Mn2 O3 104.6(2) 6_656 5_666
O4 Mn2 Mn3 144.238(13) 2_655 .
O4 Mn2 Mn3 88.31(10) . .
O3 Mn2 Mn3 35.15(2) 6_656 .
O3 Mn2 Mn3 95.92(10) 5_666 .
O4 Mn2 Mn3 88.31(10) 2_655 3
O4 Mn2 Mn3 144.238(13) . 3
O3 Mn2 Mn3 35.15(2) 6_656 3
O3 Mn2 Mn3 95.92(10) 5_666 3
Mn3 Mn2 Mn3 68.915(15) . 3
O4 Mn2 Mn3 144.238(13) 2_655 4_655
O4 Mn2 Mn3 88.31(10) . 4_655
O3 Mn2 Mn3 95.92(10) 6_656 4_655
O3 Mn2 Mn3 35.15(2) 5_666 4_655
Mn3 Mn2 Mn3 71.150(16) . 4_655
Mn3 Mn2 Mn3 108.49(3) 3 4_655
O4 Mn2 Mn3 88.31(10) 2_655 2_655
O4 Mn2 Mn3 144.238(13) . 2_655
O3 Mn2 Mn3 95.92(10) 6_656 2_655
O3 Mn2 Mn3 35.15(2) 5_666 2_655
Mn3 Mn2 Mn3 108.49(3) . 2_655
Mn3 Mn2 Mn3 71.150(16) 3 2_655
Mn3 Mn2 Mn3 68.915(15) 4_655 2_655
O3 Mn3 O3 180.0(2) 6_656 2_554
O3 Mn3 O2 87.65(18) 6_656 6_655
O3 Mn3 O2 92.35(18) 2_554 6_655
O3 Mn3 O2 92.35(18) 6_656 2
O3 Mn3 O2 87.65(18) 2_554 2
O2 Mn3 O2 180.0(3) 6_655 2
O3 Mn3 O1 85.88(14) 6_656 .
O3 Mn3 O1 94.12(14) 2_554 .
O2 Mn3 O1 88.60(14) 6_655 .
O2 Mn3 O1 91.40(14) 2 .
O3 Mn3 O1 94.12(14) 6_656 5_655
O3 Mn3 O1 85.88(14) 2_554 5_655
O2 Mn3 O1 91.40(14) 6_655 5_655
O2 Mn3 O1 88.60(14) 2 5_655
O1 Mn3 O1 180.0 . 5_655
O3 Mn3 Dy1 49.24(13) 6_656 5_656
O3 Mn3 Dy1 130.76(13) 2_554 5_656
O2 Mn3 Dy1 52.44(12) 6_655 5_656
O2 Mn3 Dy1 127.56(12) 2 5_656
O1 Mn3 Dy1 57.23(8) . 5_656
O1 Mn3 Dy1 122.77(8) 5_655 5_656
O3 Mn3 Dy1 130.76(13) 6_656 1_554
O3 Mn3 Dy1 49.24(13) 2_554 1_554
O2 Mn3 Dy1 127.56(12) 6_655 1_554
O2 Mn3 Dy1 52.44(12) 2 1_554
O1 Mn3 Dy1 122.77(8) . 1_554
O1 Mn3 Dy1 57.23(8) 5_655 1_554
Dy1 Mn3 Dy1 180.0 5_656 1_554
O3 Mn3 Mn2 141.46(12) 6_656 5_655
O3 Mn3 Mn2 38.54(12) 2_554 5_655
O2 Mn3 Mn2 57.67(13) 6_655 5_655
O2 Mn3 Mn2 122.33(13) 2 5_655
O1 Mn3 Mn2 107.50(8) . 5_655
O1 Mn3 Mn2 72.50(8) 5_655 5_655
Dy1 Mn3 Mn2 107.704(8) 5_656 5_655
Dy1 Mn3 Mn2 72.296(8) 1_554 5_655
O3 Mn3 Mn2 38.54(12) 6_656 .
O3 Mn3 Mn2 141.46(12) 2_554 .
O2 Mn3 Mn2 122.33(13) 6_655 .
O2 Mn3 Mn2 57.67(13) 2 .
O1 Mn3 Mn2 72.50(8) . .
O1 Mn3 Mn2 107.50(8) 5_655 .
Dy1 Mn3 Mn2 72.296(8) 5_656 .
Dy1 Mn3 Mn2 107.704(8) 1_554 .
Mn2 Mn3 Mn2 180.0 5_655 .
O3 Mn3 Dy2 76.30(12) 6_656 5_655
O3 Mn3 Dy2 103.70(12) 2_554 5_655
O2 Mn3 Dy2 41.85(11) 6_655 5_655
O2 Mn3 Dy2 138.15(11) 2 5_655
O1 Mn3 Dy2 126.86(9) . 5_655
O1 Mn3 Dy2 53.14(9) 5_655 5_655
Dy1 Mn3 Dy2 73.910(7) 5_656 5_655
Dy1 Mn3 Dy2 106.090(7) 1_554 5_655
Mn2 Mn3 Dy2 66.697(9) 5_655 5_655
Mn2 Mn3 Dy2 113.303(9) . 5_655
O3 Mn3 Dy2 103.70(12) 6_656 .
O3 Mn3 Dy2 76.30(12) 2_554 .
O2 Mn3 Dy2 138.15(11) 6_655 .
O2 Mn3 Dy2 41.85(11) 2 .
O1 Mn3 Dy2 53.14(9) . .
O1 Mn3 Dy2 126.86(9) 5_655 .
Dy1 Mn3 Dy2 106.090(7) 5_656 .
Dy1 Mn3 Dy2 73.910(7) 1_554 .
Mn2 Mn3 Dy2 113.303(9) 5_655 .
Mn2 Mn3 Dy2 66.696(9) . .
Dy2 Mn3 Dy2 180.0 5_655 .
O5 Mn4 O5 180.0(3) 5_566 .
O5 Mn4 O1 89.57(14) 5_566 6_566
O5 Mn4 O1 90.44(14) . 6_566
O5 Mn4 O1 90.43(14) 5_566 2
O5 Mn4 O1 89.56(14) . 2
O1 Mn4 O1 180.0 6_566 2
O5 Mn4 O4 86.87(19) 5_566 6_566
O5 Mn4 O4 93.13(19) . 6_566
O1 Mn4 O4 88.40(15) 6_566 6_566
O1 Mn4 O4 91.60(15) 2 6_566
O5 Mn4 O4 93.13(19) 5_566 2
O5 Mn4 O4 86.87(19) . 2
O1 Mn4 O4 91.60(15) 6_566 2
O1 Mn4 O4 88.40(15) 2 2
O4 Mn4 O4 180.0 6_566 2
O5 Mn4 Dy2 128.75(13) 5_566 .
O5 Mn4 Dy2 51.25(13) . .
O1 Mn4 Dy2 119.43(10) 6_566 .
O1 Mn4 Dy2 60.57(10) 2 .
O4 Mn4 Dy2 130.99(13) 6_566 .
O4 Mn4 Dy2 49.01(13) 2 .
O5 Mn4 Dy2 51.25(13) 5_566 5_566
O5 Mn4 Dy2 128.75(13) . 5_566
O1 Mn4 Dy2 60.57(10) 6_566 5_566
O1 Mn4 Dy2 119.43(10) 2 5_566
O4 Mn4 Dy2 49.01(13) 6_566 5_566
O4 Mn4 Dy2 130.99(13) 2 5_566
Dy2 Mn4 Dy2 180.0 . 5_566
O5 Mn4 Mn1 72.06(12) 5_566 1_455
O5 Mn4 Mn1 107.94(12) . 1_455
O1 Mn4 Mn1 35.78(9) 6_566 1_455
O1 Mn4 Mn1 144.22(9) 2 1_455
O4 Mn4 Mn1 117.43(13) 6_566 1_455
O4 Mn4 Mn1 62.57(12) 2 1_455
Dy2 Mn4 Mn1 106.331(10) . 1_455
Dy2 Mn4 Mn1 73.668(10) 5_566 1_455
O5 Mn4 Mn1 107.94(12) 5_566 5_666
O5 Mn4 Mn1 72.06(12) . 5_666
O1 Mn4 Mn1 144.22(9) 6_566 5_666
O1 Mn4 Mn1 35.78(9) 2 5_666
O4 Mn4 Mn1 62.57(13) 6_566 5_666
O4 Mn4 Mn1 117.43(12) 2 5_666
Dy2 Mn4 Mn1 73.669(10) . 5_666
Dy2 Mn4 Mn1 106.332(10) 5_566 5_666
Mn1 Mn4 Mn1 180.0 1_455 5_666
O5 Mn4 Dy1 40.89(11) 5_566 5_566
O5 Mn4 Dy1 139.11(11) . 5_566
O1 Mn4 Dy1 128.14(9) 6_566 5_566
O1 Mn4 Dy1 51.86(9) 2 5_566
O4 Mn4 Dy1 77.05(12) 6_566 5_566
O4 Mn4 Dy1 102.95(12) 2 5_566
Dy2 Mn4 Dy1 106.969(7) . 5_566
Dy2 Mn4 Dy1 73.031(7) 5_566 5_566
Mn1 Mn4 Dy1 111.818(11) 1_455 5_566
Mn1 Mn4 Dy1 68.182(11) 5_666 5_566
O5 Mn4 Dy1 139.11(11) 5_566 .
O5 Mn4 Dy1 40.89(11) . .
O1 Mn4 Dy1 51.86(9) 6_566 .
O1 Mn4 Dy1 128.14(9) 2 .
O4 Mn4 Dy1 102.95(12) 6_566 .
O4 Mn4 Dy1 77.05(12) 2 .
Dy2 Mn4 Dy1 73.031(7) . .
Dy2 Mn4 Dy1 106.969(7) 5_566 .
Mn1 Mn4 Dy1 68.182(11) 1_455 .
Mn1 Mn4 Dy1 111.818(11) 5_666 .
Dy1 Mn4 Dy1 180.0 5_566 .
Mn1 O1 Mn4 107.87(14) 5_656 2
Mn1 O1 Mn3 111.15(13) 5_656 .
Mn4 O1 Mn3 140.93(16) 2 .
Mn1 O1 Dy1 104.45(14) 5_656 5_656
Mn4 O1 Dy1 93.31(11) 2 5_656
Mn3 O1 Dy1 78.98(9) . 5_656
Mn1 O1 Dy2 105.28(13) 5_656 .
Mn4 O1 Dy2 81.25(11) 2 .
Mn3 O1 Dy2 86.80(10) . .
Dy1 O1 Dy2 150.01(13) 5_656 .
Mn3 O2 Mn3 148.9(2) 3_455 2
Mn3 O2 Dy2 104.92(11) 3_455 .
Mn3 O2 Dy2 104.92(11) 2 .
Mn3 O2 Dy1 89.24(12) 3_455 1_554
Mn3 O2 Dy1 89.24(12) 2 1_554
Dy2 O2 Dy1 109.06(17) . 1_554
Mn3 O3 Mn3 141.2(2) 4_656 2_556
Mn3 O3 Mn2 106.30(13) 4_656 5_666
Mn3 O3 Mn2 106.30(13) 2_556 5_666
Mn3 O3 Dy1 92.79(14) 4_656 .
Mn3 O3 Dy1 92.79(14) 2_556 .
Mn2 O3 Dy1 113.95(17) 5_666 .
Mn4 O4 Mn4 137.8(2) 3_566 2
Mn4 O4 Mn2 109.13(13) 3_566 .
Mn4 O4 Mn2 109.13(13) 2 .
Mn4 O4 Dy2 90.92(14) 3_566 .
Mn4 O4 Dy2 90.92(14) 2 .
Mn2 O4 Dy2 111.77(19) . .
Mn4 O5 Mn4 144.1(2) 3_566 .
Mn4 O5 Dy1 106.53(11) 3_566 .
Mn4 O5 Dy1 106.53(11) . .
Mn4 O5 Dy2 90.87(12) 3_566 .
Mn4 O5 Dy2 90.87(12) . .
Dy1 O5 Dy2 109.63(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.315(4) 2
Dy1 O5 2.315(4) .
Dy1 O3 2.365(4) .
Dy1 O3 2.365(4) 2
Dy1 O2 2.472(4) 2_556
Dy1 O2 2.472(4) 1_556
Dy1 O1 2.671(3) 3_456
Dy1 O1 2.671(3) 4_656
Dy1 O1 2.671(3) 6_566
Dy1 O1 2.671(3) 5_656
Dy1 Mn3 3.11845(19) 4_656
Dy1 Mn3 3.11845(19) 1_556
Dy2 O4 2.341(5) 2
Dy2 O4 2.341(5) .
Dy2 O2 2.355(4) 2
Dy2 O2 2.355(4) .
Dy2 O5 2.419(4) .
Dy2 O5 2.419(4) 2
Dy2 O1 2.733(3) 7_655
Dy2 O1 2.733(3) 8_565
Dy2 O1 2.733(3) 2
Dy2 O1 2.733(3) .
Dy2 Mn4 3.10139(19) 3_566
Dy2 Mn4 3.10138(19) .
Mn1 O1 1.913(3) 6_666
Mn1 O1 1.913(3) 5_656
Mn1 O1 1.913(3) 4_656
Mn1 O1 1.913(3) 3_556
Mn1 Mn4 3.1143(7) 2
Mn1 Mn4 3.1143(7) 3_566
Mn1 Mn4 3.1143(7) 1_655
Mn1 Mn4 3.1143(7) 4_646
Mn2 O4 2.050(5) 2_655
Mn2 O4 2.050(5) .
Mn2 O3 2.079(4) 6_656
Mn2 O3 2.079(4) 5_666
Mn2 Mn3 3.2025(6) .
Mn2 Mn3 3.2025(6) 3
Mn2 Mn3 3.2025(6) 4_655
Mn2 Mn3 3.2025(6) 2_655
Mn3 O3 1.9212(13) 6_656
Mn3 O3 1.9212(13) 2_554
Mn3 O2 1.9340(11) 6_655
Mn3 O2 1.9340(11) 2
Mn3 O1 2.199(3) .
Mn3 O1 2.199(3) 5_655
Mn3 Dy1 3.11846(19) 5_656
Mn3 Dy1 3.11846(19) 1_554
Mn3 Mn2 3.2025(6) 5_655
Mn3 Dy2 3.4107(2) 5_655
Mn4 O5 1.9044(13) 5_566
Mn4 O5 1.9044(13) .
Mn4 O1 1.940(3) 6_566
Mn4 O1 1.940(3) 2
Mn4 O4 1.9967(16) 6_566
Mn4 O4 1.9967(16) 2
Mn4 Dy2 3.10139(19) 5_566
Mn4 Mn1 3.1143(7) 1_455
Mn4 Mn1 3.1143(7) 5_666
Mn4 Dy1 3.3907(2) 5_566
O1 Mn1 1.913(3) 5_656
O1 Mn4 1.940(3) 2
O1 Dy1 2.671(3) 5_656
O2 Mn3 1.9340(11) 3_455
O2 Mn3 1.9340(11) 2
O2 Dy1 2.472(4) 1_554
O3 Mn3 1.9212(13) 4_656
O3 Mn3 1.9212(13) 2_556
O3 Mn2 2.079(4) 5_666
O4 Mn4 1.9967(16) 3_566
O4 Mn4 1.9967(16) 2
O5 Mn4 1.9044(13) 3_566
