#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:25:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179411 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/08/4330892.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_4330892
loop_
_publ_author_name
'Jean-Marie Babo'
'Eun Sang Choi'
'Thomas E. Albrecht-Schmitt'
_publ_section_title
;
 Synthesis, Structure, Magnetism, and Optical Properties of Cs2Cu3DyTe4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11730
_journal_page_last               11735
_journal_paper_doi               10.1021/ic301649p
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         Cs2Cu3DyTe4
_chemical_formula_sum            'Cs2 Cu3 Dy Te4'
_chemical_formula_weight         1129.37
_chemical_name_common            'cesium copper dysprosium telluride'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.609(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.462(4)
_cell_length_b                   4.4340(10)
_cell_length_c                   8.881(2)
_cell_measurement_temperature    296(2)
_cell_volume                     614.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5160
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    26.218
_exptl_absorpt_correction_T_max  0.399
_exptl_absorpt_correction_T_min  0.226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.105
_exptl_crystal_description       lath
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.035
_refine_diff_density_max         1.535
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.00022(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+11.6167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0445
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                748
_reflns_number_total             788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301649p_si_001.cif
_cod_data_source_block           dycuyteincscl_0m
_cod_original_cell_volume        614.4(2)
_cod_database_code               4330892
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.5000 0.0000 0.5000 0.02691(18) Uani 1 4 d S
Cs1 Cs 0.36810(3) -1.0000 -0.05320(6) 0.02087(16) Uani 1 2 d S
Cu1 Cu 0.6807(4) -0.5000 0.4914(8) 0.0287(10) Uani 0.50 2 d SP
Cu2 Cu 0.61399(15) -0.5000 0.6478(3) 0.0325(6) Uani 0.50 2 d SP
Cu3 Cu 0.6878(5) -0.413(2) 0.4526(10) 0.055(2) Uani 0.25 1 d P
Te1 Te 0.52420(3) -0.5000 0.27828(6) 0.01470(15) Uani 1 2 d S
Te2 Te 0.29980(3) 0.0000 0.32473(7) 0.01693(16) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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
Cu2 Dy1 Cu2 81.68(8) . 5_646
Cu2 Dy1 Cu2 98.32(8) . 1_565
Cu2 Dy1 Cu2 180.00(9) 5_646 1_565
Cu2 Dy1 Cu2 180.0 . 5_656
Cu2 Dy1 Cu2 98.32(8) 5_646 5_656
Cu2 Dy1 Cu2 81.68(8) 1_565 5_656
Cu2 Dy1 Te1 117.01(5) . 5_656
Cu2 Dy1 Te1 129.57(4) 5_646 5_656
Cu2 Dy1 Te1 50.43(4) 1_565 5_656
Cu2 Dy1 Te1 63.00(5) 5_656 5_656
Cu2 Dy1 Te1 50.43(4) . 5_646
Cu2 Dy1 Te1 63.00(5) 5_646 5_646
Cu2 Dy1 Te1 117.00(5) 1_565 5_646
Cu2 Dy1 Te1 129.57(4) 5_656 5_646
Te1 Dy1 Te1 92.29(2) 5_656 5_646
Cu2 Dy1 Te1 129.57(4) . 1_565
Cu2 Dy1 Te1 117.00(5) 5_646 1_565
Cu2 Dy1 Te1 63.00(5) 1_565 1_565
Cu2 Dy1 Te1 50.43(4) 5_656 1_565
Te1 Dy1 Te1 87.71(2) 5_656 1_565
Te1 Dy1 Te1 180.0 5_646 1_565
Cu2 Dy1 Te1 62.99(5) . .
Cu2 Dy1 Te1 50.43(4) 5_646 .
Cu2 Dy1 Te1 129.57(4) 1_565 .
Cu2 Dy1 Te1 117.01(5) 5_656 .
Te1 Dy1 Te1 180.0 5_656 .
Te1 Dy1 Te1 87.71(2) 5_646 .
Te1 Dy1 Te1 92.29(2) 1_565 .
Cu2 Dy1 Te2 50.36(4) . 5_656
Cu2 Dy1 Te2 129.64(4) 5_646 5_656
Cu2 Dy1 Te2 50.36(4) 1_565 5_656
Cu2 Dy1 Te2 129.64(4) 5_656 5_656
Te1 Dy1 Te2 90.712(16) 5_656 5_656
Te1 Dy1 Te2 90.712(16) 5_646 5_656
Te1 Dy1 Te2 89.288(16) 1_565 5_656
Te1 Dy1 Te2 89.287(16) . 5_656
Cu2 Dy1 Te2 129.64(4) . .
Cu2 Dy1 Te2 50.36(4) 5_646 .
Cu2 Dy1 Te2 129.64(4) 1_565 .
Cu2 Dy1 Te2 50.36(4) 5_656 .
Te1 Dy1 Te2 89.288(16) 5_656 .
Te1 Dy1 Te2 89.288(16) 5_646 .
Te1 Dy1 Te2 90.712(16) 1_565 .
Te1 Dy1 Te2 90.713(16) . .
Te2 Dy1 Te2 180.000(9) 5_656 .
Cu2 Dy1 Cs1 119.00(5) . 1_565
Cu2 Dy1 Cs1 61.00(5) 5_646 1_565
Cu2 Dy1 Cs1 119.00(5) 1_565 1_565
Cu2 Dy1 Cs1 61.00(5) 5_656 1_565
Te1 Dy1 Cs1 123.990(14) 5_656 1_565
Te1 Dy1 Cs1 123.990(14) 5_646 1_565
Te1 Dy1 Cs1 56.010(14) 1_565 1_565
Te1 Dy1 Cs1 56.010(14) . 1_565
Te2 Dy1 Cs1 125.176(16) 5_656 1_565
Te2 Dy1 Cs1 54.824(16) . 1_565
Cu2 Dy1 Cs1 61.00(5) . 5_646
Cu2 Dy1 Cs1 119.00(5) 5_646 5_646
Cu2 Dy1 Cs1 61.00(5) 1_565 5_646
Cu2 Dy1 Cs1 119.00(5) 5_656 5_646
Te1 Dy1 Cs1 56.010(14) 5_656 5_646
Te1 Dy1 Cs1 56.010(14) 5_646 5_646
Te1 Dy1 Cs1 123.990(14) 1_565 5_646
Te1 Dy1 Cs1 123.990(14) . 5_646
Te2 Dy1 Cs1 54.824(16) 5_656 5_646
Te2 Dy1 Cs1 125.176(16) . 5_646
Cs1 Dy1 Cs1 180.000(12) 1_565 5_646
Te2 Cs1 Te2 72.32(2) 7_535 7_545
Te2 Cs1 Te1 71.82(2) 7_535 5_635
Te2 Cs1 Te1 112.30(2) 7_545 5_635
Te2 Cs1 Te1 112.30(2) 7_535 5_645
Te2 Cs1 Te1 71.82(2) 7_545 5_645
Te1 Cs1 Te1 71.74(2) 5_635 5_645
Te2 Cs1 Cu3 38.18(12) 7_535 2_645
Te2 Cs1 Cu3 77.18(14) 7_545 2_645
Te1 Cs1 Cu3 41.05(12) 5_635 2_645
Te1 Cs1 Cu3 78.82(15) 5_645 2_645
Te2 Cs1 Cu3 77.18(14) 7_535 5_645
Te2 Cs1 Cu3 38.18(12) 7_545 5_645
Te1 Cs1 Cu3 78.82(15) 5_635 5_645
Te1 Cs1 Cu3 41.05(12) 5_645 5_645
Cu3 Cs1 Cu3 57.1(3) 2_645 5_645
Te2 Cs1 Te2 101.48(2) 7_535 1_545
Te2 Cs1 Te2 101.48(2) 7_545 1_545
Te1 Cs1 Te2 140.715(12) 5_635 1_545
Te1 Cs1 Te2 140.715(12) 5_645 1_545
Cu3 Cs1 Te2 138.83(14) 2_645 1_545
Cu3 Cs1 Te2 138.83(14) 5_645 1_545
Te2 Cs1 Te1 108.670(18) 7_535 1_545
Te2 Cs1 Te1 171.017(19) 7_545 1_545
Te1 Cs1 Te1 76.11(2) 5_635 1_545
Te1 Cs1 Te1 115.02(2) 5_645 1_545
Cu3 Cs1 Te1 109.32(14) 2_645 1_545
Cu3 Cs1 Te1 150.65(12) 5_645 1_545
Te2 Cs1 Te1 69.53(2) 1_545 1_545
Te2 Cs1 Te1 171.017(19) 7_535 .
Te2 Cs1 Te1 108.671(18) 7_545 .
Te1 Cs1 Te1 115.02(2) 5_635 .
Te1 Cs1 Te1 76.11(2) 5_645 .
Cu3 Cs1 Te1 150.65(12) 2_645 .
Cu3 Cs1 Te1 109.31(14) 5_645 .
Te2 Cs1 Te1 69.533(19) 1_545 .
Te1 Cs1 Te1 68.90(2) 1_545 .
Te2 Cs1 Cs1 130.535(18) 7_535 5_635
Te2 Cs1 Cs1 130.535(18) 7_545 5_635
Te1 Cs1 Cs1 59.088(16) 5_635 5_635
Te1 Cs1 Cs1 59.088(16) 5_645 5_635
Cu3 Cs1 Cs1 97.81(11) 2_645 5_635
Cu3 Cs1 Cs1 97.81(11) 5_645 5_635
Te2 Cs1 Cs1 112.11(2) 1_545 5_635
Te1 Cs1 Cs1 55.929(15) 1_545 5_635
Te1 Cs1 Cs1 55.929(15) . 5_635
Te2 Cs1 Cu2 134.81(4) 7_535 5_646
Te2 Cs1 Cu2 94.33(3) 7_545 5_646
Te1 Cs1 Cu2 148.67(4) 5_635 5_646
Te1 Cs1 Cu2 103.26(3) 5_645 5_646
Cu3 Cs1 Cu2 170.27(12) 2_645 5_646
Cu3 Cs1 Cu2 118.42(16) 5_645 5_646
Te2 Cs1 Cu2 37.61(2) 1_545 5_646
Te1 Cs1 Cu2 78.63(3) 1_545 5_646
Te1 Cs1 Cu2 36.83(3) . 5_646
Cs1 Cs1 Cu2 91.32(4) 5_635 5_646
Te2 Cs1 Cu2 94.33(3) 7_535 5_636
Te2 Cs1 Cu2 134.81(4) 7_545 5_636
Te1 Cs1 Cu2 103.26(3) 5_635 5_636
Te1 Cs1 Cu2 148.67(4) 5_645 5_636
Cu3 Cs1 Cu2 118.42(16) 2_645 5_636
Cu3 Cs1 Cu2 170.27(12) 5_645 5_636
Te2 Cs1 Cu2 37.61(3) 1_545 5_636
Te1 Cs1 Cu2 36.83(3) 1_545 5_636
Te1 Cs1 Cu2 78.63(3) . 5_636
Cs1 Cs1 Cu2 91.32(4) 5_635 5_636
Cu2 Cs1 Cu2 64.44(4) 5_646 5_636
Cu3 Cu1 Cu3 88(3) 6_545 .
Cu3 Cu1 Cu2 134.2(14) 6_545 .
Cu3 Cu1 Cu2 134.2(14) . .
Cu3 Cu1 Te1 84.6(15) 6_545 .
Cu3 Cu1 Te1 84.6(15) . .
Cu2 Cu1 Te1 82.8(2) . .
Cu3 Cu1 Te2 159.2(15) 6_545 5_656
Cu3 Cu1 Te2 78.5(14) . 5_656
Cu2 Cu1 Te2 64.75(14) . 5_656
Te1 Cu1 Te2 109.25(15) . 5_656
Cu3 Cu1 Te2 78.5(14) 6_545 5_646
Cu3 Cu1 Te2 159.2(15) . 5_646
Cu2 Cu1 Te2 64.75(14) . 5_646
Te1 Cu1 Te2 109.25(15) . 5_646
Te2 Cu1 Te2 109.7(2) 5_656 5_646
Cu3 Cu1 Cu3 105.2(14) 6_545 7_646
Cu3 Cu1 Cu3 48.7(16) . 7_646
Cu2 Cu1 Cu3 116.25(18) . 7_646
Te1 Cu1 Cu3 130.8(2) . 7_646
Te2 Cu1 Cu3 54.0(2) 5_656 7_646
Te2 Cu1 Cu3 120.0(2) 5_646 7_646
Cu3 Cu1 Cu3 48.7(16) 6_545 4_646
Cu3 Cu1 Cu3 105.2(14) . 4_646
Cu2 Cu1 Cu3 116.25(18) . 4_646
Te1 Cu1 Cu3 130.8(2) . 4_646
Te2 Cu1 Cu3 120.0(2) 5_656 4_646
Te2 Cu1 Cu3 54.0(2) 5_646 4_646
Cu3 Cu1 Cu3 83.3(3) 7_646 4_646
Cu3 Cu1 Te2 49.3(14) 6_545 3_545
Cu3 Cu1 Te2 49.3(14) . 3_545
Cu2 Cu1 Te2 169.5(3) . 3_545
Te1 Cu1 Te2 107.7(2) . 3_545
Te2 Cu1 Te2 110.42(15) 5_656 3_545
Te2 Cu1 Te2 110.42(15) 5_646 3_545
Cu3 Cu1 Te2 56.98(15) 7_646 3_545
Cu3 Cu1 Te2 56.98(15) 4_646 3_545
Cu3 Cu1 Cs1 111.1(16) 6_545 3_556
Cu3 Cu1 Cs1 111.1(16) . 3_556
Cu2 Cu1 Cs1 74.6(2) . 3_556
Te1 Cu1 Cs1 157.4(2) . 3_556
Te2 Cu1 Cs1 60.94(13) 5_656 3_556
Te2 Cu1 Cs1 60.94(13) 5_646 3_556
Cu3 Cu1 Cs1 62.41(12) 7_646 3_556
Cu3 Cu1 Cs1 62.41(12) 4_646 3_556
Te2 Cu1 Cs1 94.87(17) 3_545 3_556
Cu3 Cu1 Cs1 25.7(15) 6_545 5_635
Cu3 Cu1 Cs1 79.0(15) . 5_635
Cu2 Cu1 Cs1 129.1(2) . 5_635
Te1 Cu1 Cs1 60.08(11) . 5_635
Te2 Cu1 Cs1 155.96(16) 5_656 5_635
Te2 Cu1 Cs1 94.30(7) 5_646 5_635
Cu3 Cu1 Cs1 114.35(14) 7_646 5_635
Cu3 Cu1 Cs1 74.41(17) 4_646 5_635
Te2 Cu1 Cs1 59.08(11) 3_545 5_635
Cs1 Cu1 Cs1 136.81(11) 3_556 5_635
Cu3 Cu1 Cs1 79.0(15) 6_545 5_645
Cu3 Cu1 Cs1 25.7(15) . 5_645
Cu2 Cu1 Cs1 129.1(2) . 5_645
Te1 Cu1 Cs1 60.08(11) . 5_645
Te2 Cu1 Cs1 94.30(7) 5_656 5_645
Te2 Cu1 Cs1 155.96(16) 5_646 5_645
Cu3 Cu1 Cs1 74.41(17) 7_646 5_645
Cu3 Cu1 Cs1 114.35(14) 4_646 5_645
Te2 Cu1 Cs1 59.08(11) 3_545 5_645
Cs1 Cu1 Cs1 136.81(11) 3_556 5_645
Cs1 Cu1 Cs1 61.66(9) 5_635 5_645
Cu1 Cu2 Cu3 9.3(2) . .
Cu1 Cu2 Cu3 9.3(2) . 6_545
Cu3 Cu2 Cu3 18.1(5) . 6_545
Cu1 Cu2 Te1 153.6(2) . 5_646
Cu3 Cu2 Te1 149.9(2) . 5_646
Cu3 Cu2 Te1 149.9(2) 6_545 5_646
Cu1 Cu2 Te2 70.47(10) . 5_656
Cu3 Cu2 Te2 63.4(2) . 5_656
Cu3 Cu2 Te2 79.7(2) 6_545 5_656
Te1 Cu2 Te2 118.59(5) 5_646 5_656
Cu1 Cu2 Te2 70.47(10) . 5_646
Cu3 Cu2 Te2 79.7(2) . 5_646
Cu3 Cu2 Te2 63.4(2) 6_545 5_646
Te1 Cu2 Te2 118.59(5) 5_646 5_646
Te2 Cu2 Te2 116.91(9) 5_656 5_646
Cu1 Cu2 Dy1 95.89(15) . 1_545
Cu3 Cu2 Dy1 101.2(2) . 1_545
Cu3 Cu2 Dy1 87.5(2) 6_545 1_545
Te1 Cu2 Dy1 67.70(5) 5_646 1_545
Te2 Cu2 Dy1 159.88(11) 5_656 1_545
Te2 Cu2 Dy1 69.48(3) 5_646 1_545
Cu1 Cu2 Dy1 95.89(15) . .
Cu3 Cu2 Dy1 87.5(2) . .
Cu3 Cu2 Dy1 101.2(2) 6_545 .
Te1 Cu2 Dy1 67.70(5) 5_646 .
Te2 Cu2 Dy1 69.48(3) 5_656 .
Te2 Cu2 Dy1 159.88(11) 5_646 .
Dy1 Cu2 Dy1 98.32(8) 1_545 .
Cu1 Cu2 Te1 57.4(2) . .
Cu3 Cu2 Te1 55.5(2) . .
Cu3 Cu2 Te1 55.5(2) 6_545 .
Te1 Cu2 Te1 96.18(8) 5_646 .
Te2 Cu2 Te1 99.14(7) 5_656 .
Te2 Cu2 Te1 99.14(7) 5_646 .
Dy1 Cu2 Te1 60.75(5) 1_545 .
Dy1 Cu2 Te1 60.75(5) . .
Cu1 Cu2 Cs1 133.57(15) . 5_646
Cu3 Cu2 Cs1 128.1(2) . 5_646
Cu3 Cu2 Cs1 141.6(2) 6_545 5_646
Te1 Cu2 Cs1 66.50(5) 5_646 5_646
Te2 Cu2 Cs1 65.07(4) 5_656 5_646
Te2 Cu2 Cs1 119.16(9) 5_646 5_646
Dy1 Cu2 Cs1 130.50(7) 1_545 5_646
Dy1 Cu2 Cs1 80.95(4) . 5_646
Te1 Cu2 Cs1 141.70(4) . 5_646
Cu1 Cu2 Cs1 133.57(15) . 5_636
Cu3 Cu2 Cs1 141.6(2) . 5_636
Cu3 Cu2 Cs1 128.1(2) 6_545 5_636
Te1 Cu2 Cs1 66.50(5) 5_646 5_636
Te2 Cu2 Cs1 119.16(9) 5_656 5_636
Te2 Cu2 Cs1 65.07(4) 5_646 5_636
Dy1 Cu2 Cs1 80.95(4) 1_545 5_636
Dy1 Cu2 Cs1 130.50(7) . 5_636
Te1 Cu2 Cs1 141.70(4) . 5_636
Cs1 Cu2 Cs1 64.44(4) 5_646 5_636
Cu1 Cu2 Cs1 77.5(2) . 3_556
Cu3 Cu2 Cs1 80.1(2) . 3_556
Cu3 Cu2 Cs1 80.1(2) 6_545 3_556
Te1 Cu2 Cs1 128.90(9) 5_646 3_556
Te2 Cu2 Cs1 62.28(5) 5_656 3_556
Te2 Cu2 Cs1 62.28(5) 5_646 3_556
Dy1 Cu2 Cs1 130.75(4) 1_545 3_556
Dy1 Cu2 Cs1 130.75(4) . 3_556
Te1 Cu2 Cs1 134.92(7) . 3_556
Cs1 Cu2 Cs1 70.71(4) 5_646 3_556
Cs1 Cu2 Cs1 70.71(4) 5_636 3_556
Cu1 Cu3 Cu3 46.1(14) . 6_545
Cu1 Cu3 Cu3 121.4(18) . 7_646
Cu3 Cu3 Cu3 126.6(5) 6_545 7_646
Cu1 Cu3 Cu2 36.5(12) . .
Cu3 Cu3 Cu2 81.0(2) 6_545 .
Cu3 Cu3 Cu2 113.8(5) 7_646 .
Cu1 Cu3 Te2 120.9(16) . 3_545
Cu3 Cu3 Te2 81.1(2) 6_545 3_545
Cu3 Cu3 Te2 65.4(3) 7_646 3_545
Cu2 Cu3 Te2 155.4(4) . 3_545
Cu1 Cu3 Te2 89.8(14) . 5_656
Cu3 Cu3 Te2 133.64(16) 6_545 5_656
Cu3 Cu3 Te2 58.3(4) 7_646 5_656
Cu2 Cu3 Te2 61.2(2) . 5_656
Te2 Cu3 Te2 123.7(3) 3_545 5_656
Cu1 Cu3 Te1 83.5(15) . .
Cu3 Cu3 Te1 81.7(2) 6_545 .
Cu3 Cu3 Te1 150.3(6) 7_646 .
Cu2 Cu3 Te1 75.6(2) . .
Te2 Cu3 Te1 118.1(3) 3_545 .
Te2 Cu3 Te1 110.7(3) 5_656 .
Cu1 Cu3 Cu1 131.3(16) . 7_646
Cu3 Cu3 Cu1 131.65(16) 6_545 7_646
Cu3 Cu3 Cu1 9.9(3) 7_646 7_646
Cu2 Cu3 Cu1 121.1(3) . 7_646
Te2 Cu3 Cu1 62.01(18) 3_545 7_646
Te2 Cu3 Cu1 62.47(16) 5_656 7_646
Te1 Cu3 Cu1 142.0(3) . 7_646
Cu1 Cu3 Cu3 127.5(18) . 4_656
Cu3 Cu3 Cu3 138.7(2) 6_545 4_656
Cu3 Cu3 Cu3 12.0(4) 7_646 4_656
Cu2 Cu3 Cu3 111.9(4) . 4_656
Te2 Cu3 Cu3 72.4(3) 3_545 4_656
Te2 Cu3 Cu3 52.3(2) 5_656 4_656
Te1 Cu3 Cu3 138.8(4) . 4_656
Cu1 Cu3 Cu3 10.42(15) 7_646 4_656
Cu1 Cu3 Cu3 64.4(13) . 4_646
Cu3 Cu3 Cu3 41.3(2) 6_545 4_646
Cu3 Cu3 Cu3 85.3(6) 7_646 4_646
Cu2 Cu3 Cu3 97.8(3) . 4_646
Te2 Cu3 Cu3 57.7(3) 3_545 4_646
Te2 Cu3 Cu3 115.1(4) 5_656 4_646
Te1 Cu3 Cu3 122.4(3) . 4_646
Cu1 Cu3 Cu3 90.8(3) 7_646 4_646
Cu3 Cu3 Cu3 97.3(5) 4_656 4_646
Cu1 Cu3 Cs1 150.7(17) . 5_645
Cu3 Cu3 Cs1 118.56(16) 6_545 5_645
Cu3 Cu3 Cs1 87.8(3) 7_646 5_645
Cu2 Cu3 Cs1 134.8(3) . 5_645
Te2 Cu3 Cs1 69.22(14) 3_545 5_645
Te2 Cu3 Cs1 107.3(3) 5_656 5_645
Te1 Cu3 Cs1 68.45(17) . 5_645
Cu1 Cu3 Cs1 78.0(2) 7_646 5_645
Cu3 Cu3 Cs1 81.1(2) 4_656 5_645
Cu3 Cu3 Cs1 124.2(4) 4_646 5_645
Cu1 Cu3 Cs1 93.6(15) . 5_635
Cu3 Cu3 Cs1 52.33(11) 6_545 5_635
Cu3 Cu3 Cs1 126.0(4) 7_646 5_635
Cu2 Cu3 Cs1 118.1(3) . 5_635
Te2 Cu3 Cs1 61.3(2) 3_545 5_635
Te2 Cu3 Cs1 170.8(3) 5_656 5_635
Te1 Cu3 Cs1 61.27(19) . 5_635
Cu1 Cu3 Cs1 120.33(16) 7_646 5_635
Cu3 Cu3 Cs1 130.0(3) 4_656 5_635
Cu3 Cu3 Cs1 74.0(3) 4_646 5_635
Cs1 Cu3 Cs1 66.23(13) 5_645 5_635
Cu2 Te1 Cu1 123.63(15) 5_646 .
Cu2 Te1 Cu3 131.69(17) 5_646 .
Cu1 Te1 Cu3 11.90(14) . .
Cu2 Te1 Cu3 131.69(17) 5_646 6_545
Cu1 Te1 Cu3 11.90(14) . 6_545
Cu3 Te1 Cu3 16.5(4) . 6_545
Cu2 Te1 Dy1 61.87(4) 5_646 .
Cu1 Te1 Dy1 80.71(9) . .
Cu3 Te1 Dy1 80.7(2) . .
Cu3 Te1 Dy1 92.59(15) 6_545 .
Cu2 Te1 Dy1 61.87(4) 5_646 1_545
Cu1 Te1 Dy1 80.71(9) . 1_545
Cu3 Te1 Dy1 92.59(15) . 1_545
Cu3 Te1 Dy1 80.7(2) 6_545 1_545
Dy1 Te1 Dy1 92.29(2) . 1_545
Cu2 Te1 Cu2 83.82(8) 5_646 .
Cu1 Te1 Cu2 39.81(14) . .
Cu3 Te1 Cu2 48.93(14) . .
Cu3 Te1 Cu2 48.93(14) 6_545 .
Dy1 Te1 Cu2 56.26(2) . .
Dy1 Te1 Cu2 56.26(2) 1_545 .
Cu2 Te1 Cs1 137.71(3) 5_646 5_635
Cu1 Te1 Cs1 82.28(11) . 5_635
Cu3 Te1 Cs1 80.5(2) . 5_635
Cu3 Te1 Cs1 70.50(13) 6_545 5_635
Dy1 Te1 Cs1 159.928(18) . 5_635
Dy1 Te1 Cs1 95.406(17) 1_545 5_635
Cu2 Te1 Cs1 114.11(4) . 5_635
Cu2 Te1 Cs1 137.71(3) 5_646 5_645
Cu1 Te1 Cs1 82.28(11) . 5_645
Cu3 Te1 Cs1 70.50(13) . 5_645
Cu3 Te1 Cs1 80.5(2) 6_545 5_645
Dy1 Te1 Cs1 95.406(17) . 5_645
Dy1 Te1 Cs1 159.928(18) 1_545 5_645
Cu2 Te1 Cs1 114.11(4) . 5_645
Cs1 Te1 Cs1 71.74(2) 5_635 5_645
Cu2 Te1 Cs1 76.67(5) 5_646 .
Cu1 Te1 Cs1 141.89(5) . .
Cu3 Te1 Cs1 144.6(2) . .
Cu3 Te1 Cs1 130.71(17) 6_545 .
Dy1 Te1 Cs1 134.52(2) . .
Dy1 Te1 Cs1 83.413(19) 1_545 .
Cu2 Te1 Cs1 139.67(2) . .
Cs1 Te1 Cs1 64.98(2) 5_635 .
Cs1 Te1 Cs1 103.89(2) 5_645 .
Cu2 Te1 Cs1 76.67(5) 5_646 1_565
Cu1 Te1 Cs1 141.89(5) . 1_565
Cu3 Te1 Cs1 130.71(17) . 1_565
Cu3 Te1 Cs1 144.6(2) 6_545 1_565
Dy1 Te1 Cs1 83.413(19) . 1_565
Dy1 Te1 Cs1 134.52(2) 1_545 1_565
Cu2 Te1 Cs1 139.67(2) . 1_565
Cs1 Te1 Cs1 103.89(2) 5_635 1_565
Cs1 Te1 Cs1 64.98(2) 5_645 1_565
Cs1 Te1 Cs1 68.90(2) . 1_565
Cu3 Te2 Cu3 17.8(4) 8_445 3_455
Cu3 Te2 Cu2 123.4(2) 8_445 5_656
Cu3 Te2 Cu2 106.7(2) 3_455 5_656
Cu3 Te2 Cu2 106.7(2) 8_445 5_646
Cu3 Te2 Cu2 123.4(2) 3_455 5_646
Cu2 Te2 Cu2 116.91(9) 5_656 5_646
Cu3 Te2 Cu3 70.0(2) 8_445 5_656
Cu3 Te2 Cu3 56.3(3) 3_455 5_656
Cu2 Te2 Cu3 55.39(14) 5_656 5_656
Cu2 Te2 Cu3 127.5(2) 5_646 5_656
Cu3 Te2 Cu3 56.3(3) 8_445 2_656
Cu3 Te2 Cu3 70.0(2) 3_455 2_656
Cu2 Te2 Cu3 127.5(2) 5_656 2_656
Cu2 Te2 Cu3 55.39(14) 5_646 2_656
Cu3 Te2 Cu3 87.3(3) 5_656 2_656
Cu3 Te2 Cu1 79.27(15) 8_445 5_656
Cu3 Te2 Cu1 64.0(3) 3_455 5_656
Cu2 Te2 Cu1 44.78(13) 5_656 5_656
Cu2 Te2 Cu1 133.17(15) 5_646 5_656
Cu3 Te2 Cu1 11.77(14) 5_656 5_656
Cu3 Te2 Cu1 98.6(2) 2_656 5_656
Cu3 Te2 Cu1 64.0(3) 8_445 5_646
Cu3 Te2 Cu1 79.27(15) 3_455 5_646
Cu2 Te2 Cu1 133.17(15) 5_656 5_646
Cu2 Te2 Cu1 44.78(13) 5_646 5_646
Cu3 Te2 Cu1 98.6(2) 5_656 5_646
Cu3 Te2 Cu1 11.77(14) 2_656 5_646
Cu1 Te2 Cu1 109.7(2) 5_656 5_646
Cu3 Te2 Cu1 9.7(2) 8_445 3_455
Cu3 Te2 Cu1 9.7(2) 3_455 3_455
Cu2 Te2 Cu1 113.72(7) 5_656 3_455
Cu2 Te2 Cu1 113.72(7) 5_646 3_455
Cu3 Te2 Cu1 60.54(11) 5_656 3_455
Cu3 Te2 Cu1 60.54(11) 2_656 3_455
Cu1 Te2 Cu1 69.58(15) 5_656 3_455
Cu1 Te2 Cu1 69.58(15) 5_646 3_455
Cu3 Te2 Dy1 125.7(2) 8_445 .
Cu3 Te2 Dy1 125.7(2) 3_455 .
Cu2 Te2 Dy1 60.16(5) 5_656 .
Cu2 Te2 Dy1 60.16(5) 5_646 .
Cu3 Te2 Dy1 79.24(18) 5_656 .
Cu3 Te2 Dy1 79.24(18) 2_656 .
Cu1 Te2 Dy1 78.40(13) 5_656 .
Cu1 Te2 Dy1 78.40(14) 5_646 .
Cu1 Te2 Dy1 122.24(14) 3_455 .
Cu3 Te2 Cs1 72.6(2) 8_445 7_535
Cu3 Te2 Cs1 83.3(2) 3_455 7_535
Cu2 Te2 Cs1 146.17(6) 5_656 7_535
Cu2 Te2 Cs1 79.92(6) 5_646 7_535
Cu3 Te2 Cs1 138.68(16) 5_656 7_535
Cu3 Te2 Cs1 86.4(2) 2_656 7_535
Cu1 Te2 Cs1 142.25(13) 5_656 7_535
Cu1 Te2 Cs1 79.95(13) 5_646 7_535
Cu1 Te2 Cs1 81.02(12) 3_455 7_535
Dy1 Te2 Cs1 138.872(13) . 7_535
Cu3 Te2 Cs1 83.3(2) 8_445 7_545
Cu3 Te2 Cs1 72.60(19) 3_455 7_545
Cu2 Te2 Cs1 79.92(6) 5_656 7_545
Cu2 Te2 Cs1 146.17(6) 5_646 7_545
Cu3 Te2 Cs1 86.37(19) 5_656 7_545
Cu3 Te2 Cs1 138.68(16) 2_656 7_545
Cu1 Te2 Cs1 79.95(13) 5_656 7_545
Cu1 Te2 Cs1 142.25(13) 5_646 7_545
Cu1 Te2 Cs1 81.02(12) 3_455 7_545
Dy1 Te2 Cs1 138.872(13) . 7_545
Cs1 Te2 Cs1 72.32(2) 7_535 7_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Cu2 2.9304(18) .
Dy1 Cu2 2.9304(18) 5_646
Dy1 Cu2 2.9304(18) 1_565
Dy1 Cu2 2.9304(18) 5_656
Dy1 Te1 3.0744(6) 5_656
Dy1 Te1 3.0744(6) 5_646
Dy1 Te1 3.0744(6) 1_565
Dy1 Te1 3.0745(6) .
Dy1 Te2 3.1639(9) 5_656
Dy1 Te2 3.1640(9) .
Dy1 Cs1 4.6953(13) 1_565
Dy1 Cs1 4.6953(13) 5_646
Cs1 Te2 3.7573(8) 7_535
Cs1 Te2 3.7573(8) 7_545
Cs1 Te1 3.7837(8) 5_635
Cs1 Te1 3.7837(8) 5_645
Cs1 Cu3 3.835(7) 2_645
Cs1 Cu3 3.835(7) 5_645
Cs1 Te2 3.8652(11) 1_545
Cs1 Te1 3.9189(9) 1_545
Cs1 Te1 3.9189(9) .
Cs1 Cs1 4.1392(14) 5_635
Cs1 Cu2 4.158(2) 5_646
Cs1 Cu2 4.158(2) 5_636
Cu1 Cu3 0.553(6) 6_545
Cu1 Cu3 0.553(6) .
Cu1 Cu2 2.026(7) .
Cu1 Te1 2.666(7) .
Cu1 Te2 2.711(4) 5_656
Cu1 Te2 2.711(4) 5_646
Cu1 Cu3 2.758(8) 7_646
Cu1 Cu3 2.758(8) 4_646
Cu1 Te2 2.809(6) 3_545
Cu1 Cs1 4.232(7) 3_556
Cu1 Cs1 4.326(6) 5_635
Cu1 Cs1 4.326(6) 5_645
Cu2 Cu3 2.444(6) .
Cu2 Cu3 2.444(6) 6_545
Cu2 Te1 2.561(2) 5_646
Cu2 Te2 2.6014(13) 5_656
Cu2 Te2 2.6014(13) 5_646
Cu2 Dy1 2.9304(18) 1_545
Cu2 Te1 3.140(3) .
Cu2 Cs1 4.158(2) 5_646
Cu2 Cs1 4.158(2) 5_636
Cu2 Cs1 4.179(3) 3_556
Cu3 Cu3 0.77(2) 6_545
Cu3 Cu3 2.429(17) 7_646
Cu3 Te2 2.484(7) 3_545
Cu3 Te2 2.656(10) 5_656
Cu3 Te1 2.672(9) .
Cu3 Cu1 2.758(8) 7_646
Cu3 Cu3 2.952(11) 4_656
Cu3 Cu3 2.952(11) 4_646
Cu3 Cs1 3.835(7) 5_645
Cu3 Cs1 4.256(10) 5_635
Te1 Cu2 2.561(2) 5_646
Te1 Cu3 2.672(9) 6_545
Te1 Dy1 3.0745(6) 1_545
Te1 Cs1 3.7836(8) 5_635
Te1 Cs1 3.7836(8) 5_645
Te1 Cs1 3.9189(9) 1_565
Te2 Cu3 2.484(7) 8_445
Te2 Cu3 2.484(7) 3_455
Te2 Cu2 2.6015(13) 5_656
Te2 Cu2 2.6015(13) 5_646
Te2 Cu3 2.656(10) 5_656
Te2 Cu3 2.656(10) 2_656
Te2 Cu1 2.711(4) 5_656
Te2 Cu1 2.711(4) 5_646
Te2 Cu1 2.809(6) 3_455
Te2 Cs1 3.7572(8) 7_535
Te2 Cs1 3.7572(8) 7_545
