#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:07:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180466 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/35/7213544.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7213544
loop_
_publ_author_name
'Guch, Mykhailo'
'Assoud, Abdeljalil'
'Kleinke, Holger'
_publ_section_title
;
 Crystal structure and physical properties of the new silicide Hf4CuSi4
 with planar CuSi4 rectangles
;
_journal_issue                   21
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              4356
_journal_paper_doi               10.1039/c0jm00066c
_journal_volume                  20
_journal_year                    2010
_chemical_formula_sum            'Cu Hf4 Si4'
_chemical_formula_weight         889.86
_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                 109.9120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6945(8)
_cell_length_b                   3.7498(3)
_cell_length_c                   8.6531(7)
_cell_measurement_temperature    296(2)
_cell_volume                     295.76(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1166
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         4.32
_exptl_absorpt_coefficient_mu    74.129
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    9.992
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_refine_diff_density_max         3.029
_refine_diff_density_min         -2.084
_refine_diff_density_rms         0.611
_refine_ls_extinction_coef       0.0062(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0211
_refine_ls_R_factor_gt           0.0207
_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)+(0.0302P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0526
_reflns_number_gt                500
_reflns_number_total             510
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm00066csup1.cif
_cod_data_source_block           Hf4CuSi4
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7213544
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
Hf1 Hf 0.10824(3) 0.0000 0.38100(4) 0.00429(14) Uani 1 2 d S
Hf2 Hf 0.75394(3) 0.0000 0.15803(4) 0.00429(14) Uani 1 2 d S
Cu1 Cu 0.0000 0.0000 0.0000 0.0068(3) Uani 1 4 d S
Si1 Si 0.3840(2) 0.0000 0.3865(3) 0.0033(4) Uani 1 2 d S
Si2 Si 0.4622(2) 0.0000 0.1497(3) 0.0029(4) 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
Si Si 0.0817 0.0704 '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'
Hf Hf -0.5830 6.1852 '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
Si1 Hf1 Si1 102.22(5) . 7_556
Si1 Hf1 Si1 102.22(5) . 7_546
Si1 Hf1 Si1 86.66(6) 7_556 7_546
Si1 Hf1 Si2 106.14(5) . 3_445
Si1 Hf1 Si2 151.64(7) 7_556 3_445
Si1 Hf1 Si2 86.93(5) 7_546 3_445
Si1 Hf1 Si2 106.14(5) . 3_455
Si1 Hf1 Si2 86.93(5) 7_556 3_455
Si1 Hf1 Si2 151.64(7) 7_546 3_455
Si2 Hf1 Si2 85.72(6) 3_445 3_455
Si1 Hf1 Si1 139.39(3) . 3_445
Si1 Hf1 Si1 105.42(3) 7_556 3_445
Si1 Hf1 Si1 51.20(8) 7_546 3_445
Si2 Hf1 Si1 50.65(6) 3_445 3_445
Si2 Hf1 Si1 104.51(5) 3_455 3_445
Si1 Hf1 Si1 139.39(3) . 3_455
Si1 Hf1 Si1 51.20(8) 7_556 3_455
Si1 Hf1 Si1 105.42(3) 7_546 3_455
Si2 Hf1 Si1 104.51(5) 3_445 3_455
Si2 Hf1 Si1 50.65(6) 3_455 3_455
Si1 Hf1 Si1 81.12(6) 3_445 3_455
Si1 Hf1 Cu1 89.61(5) . .
Si1 Hf1 Cu1 134.22(4) 7_556 .
Si1 Hf1 Cu1 134.22(4) 7_546 .
Si2 Hf1 Cu1 47.44(3) 3_445 .
Si2 Hf1 Cu1 47.44(3) 3_455 .
Si1 Hf1 Cu1 91.92(4) 3_445 .
Si1 Hf1 Cu1 91.92(4) 3_455 .
Si1 Hf1 Hf2 147.82(5) . 1_455
Si1 Hf1 Hf2 101.04(5) 7_556 1_455
Si1 Hf1 Hf2 101.04(5) 7_546 1_455
Si2 Hf1 Hf2 53.38(4) 3_445 1_455
Si2 Hf1 Hf2 53.38(4) 3_455 1_455
Si1 Hf1 Hf2 51.14(4) 3_445 1_455
Si1 Hf1 Hf2 51.14(4) 3_455 1_455
Cu1 Hf1 Hf2 58.211(8) . 1_455
Si1 Hf1 Hf2 52.25(3) . 3_445
Si1 Hf1 Hf2 154.46(5) 7_556 3_445
Si1 Hf1 Hf2 97.44(3) 7_546 3_445
Si2 Hf1 Hf2 53.89(4) 3_445 3_445
Si2 Hf1 Hf2 100.17(4) 3_455 3_445
Si1 Hf1 Hf2 96.57(3) 3_445 3_445
Si1 Hf1 Hf2 147.85(4) 3_455 3_445
Cu1 Hf1 Hf2 55.992(8) . 3_445
Hf2 Hf1 Hf2 102.856(11) 1_455 3_445
Si1 Hf1 Hf2 52.25(3) . 3_455
Si1 Hf1 Hf2 97.44(3) 7_556 3_455
Si1 Hf1 Hf2 154.46(5) 7_546 3_455
Si2 Hf1 Hf2 100.17(4) 3_445 3_455
Si2 Hf1 Hf2 53.89(4) 3_455 3_455
Si1 Hf1 Hf2 147.85(4) 3_445 3_455
Si1 Hf1 Hf2 96.57(3) 3_455 3_455
Cu1 Hf1 Hf2 55.992(8) . 3_455
Hf2 Hf1 Hf2 102.856(12) 1_455 3_455
Hf2 Hf1 Hf2 68.532(9) 3_445 3_455
Si1 Hf1 Hf1 52.09(3) . 7_556
Si1 Hf1 Hf1 50.13(5) 7_556 7_556
Si1 Hf1 Hf1 96.84(5) 7_546 7_556
Si2 Hf1 Hf1 158.23(5) 3_445 7_556
Si2 Hf1 Hf1 100.08(3) 3_455 7_556
Si1 Hf1 Hf1 144.17(4) 3_445 7_556
Si1 Hf1 Hf1 95.18(4) 3_455 7_556
Cu1 Hf1 Hf1 123.892(12) . 7_556
Hf2 Hf1 Hf1 145.008(8) 1_455 7_556
Hf2 Hf1 Hf1 104.339(15) 3_445 7_556
Hf2 Hf1 Hf1 67.906(11) 3_455 7_556
Si1 Hf2 Si1 87.76(7) 3 3_545
Si1 Hf2 Si2 135.56(3) 3 5_655
Si1 Hf2 Si2 135.56(3) 3_545 5_655
Si1 Hf2 Si2 52.29(6) 3 3
Si1 Hf2 Si2 108.98(5) 3_545 3
Si2 Hf2 Si2 107.08(5) 5_655 3
Si1 Hf2 Si2 108.98(5) 3 3_545
Si1 Hf2 Si2 52.29(6) 3_545 3_545
Si2 Hf2 Si2 107.08(5) 5_655 3_545
Si2 Hf2 Si2 85.05(6) 3 3_545
Si1 Hf2 Si2 103.53(5) 3 .
Si1 Hf2 Si2 103.53(5) 3_545 .
Si2 Hf2 Si2 63.22(7) 5_655 .
Si2 Hf2 Si2 137.37(3) 3 .
Si2 Hf2 Si2 137.37(3) 3_545 .
Si1 Hf2 Cu1 149.89(5) 3 3_545
Si1 Hf2 Cu1 90.34(4) 3_545 3_545
Si2 Hf2 Cu1 48.18(2) 5_655 3_545
Si2 Hf2 Cu1 153.44(4) 3 3_545
Si2 Hf2 Cu1 93.25(3) 3_545 3_545
Si2 Hf2 Cu1 47.94(2) . 3_545
Si1 Hf2 Cu1 90.34(4) 3 3
Si1 Hf2 Cu1 149.88(5) 3_545 3
Si2 Hf2 Cu1 48.18(2) 5_655 3
Si2 Hf2 Cu1 93.25(4) 3 3
Si2 Hf2 Cu1 153.44(4) 3_545 3
Si2 Hf2 Cu1 47.94(2) . 3
Cu1 Hf2 Cu1 76.593(10) 3_545 3
Si1 Hf2 Cu1 94.84(5) 3 1_655
Si1 Hf2 Cu1 94.84(5) 3_545 1_655
Si2 Hf2 Cu1 91.12(4) 5_655 1_655
Si2 Hf2 Cu1 47.03(3) 3 1_655
Si2 Hf2 Cu1 47.03(3) 3_545 1_655
Si2 Hf2 Cu1 154.34(4) . 1_655
Cu1 Hf2 Cu1 115.262(9) 3_545 1_655
Cu1 Hf2 Cu1 115.262(9) 3 1_655
Si1 Hf2 Hf2 150.96(5) 3 7_645
Si1 Hf2 Hf2 94.90(4) 3_545 7_645
Si2 Hf2 Hf2 53.58(3) 5_655 7_645
Si2 Hf2 Hf2 100.04(4) 3 7_645
Si2 Hf2 Hf2 53.50(4) 3_545 7_645
Si2 Hf2 Hf2 103.91(4) . 7_645
Cu1 Hf2 Hf2 59.134(8) 3_545 7_645
Cu1 Hf2 Hf2 101.081(14) 3 7_645
Cu1 Hf2 Hf2 56.128(9) 1_655 7_645
Si1 Hf2 Hf2 94.90(4) 3 7_655
Si1 Hf2 Hf2 150.96(5) 3_545 7_655
Si2 Hf2 Hf2 53.58(3) 5_655 7_655
Si2 Hf2 Hf2 53.50(4) 3 7_655
Si2 Hf2 Hf2 100.04(4) 3_545 7_655
Si2 Hf2 Hf2 103.91(4) . 7_655
Cu1 Hf2 Hf2 101.081(14) 3_545 7_655
Cu1 Hf2 Hf2 59.134(8) 3 7_655
Cu1 Hf2 Hf2 56.128(9) 1_655 7_655
Hf2 Hf2 Hf2 69.357(14) 7_645 7_655
Si1 Hf2 Hf1 56.10(4) 3 1_655
Si1 Hf2 Hf1 56.10(4) 3_545 1_655
Si2 Hf2 Hf1 148.54(5) 5_655 1_655
Si2 Hf2 Hf1 52.89(4) 3 1_655
Si2 Hf2 Hf1 52.89(4) 3_545 1_655
Si2 Hf2 Hf1 148.24(4) . 1_655
Cu1 Hf2 Hf1 141.702(5) 3_545 1_655
Cu1 Hf2 Hf1 141.702(5) 3 1_655
Cu1 Hf2 Hf1 57.419(9) 1_655 1_655
Hf2 Hf2 Hf1 102.088(13) 7_645 1_655
Hf2 Hf2 Hf1 102.088(13) 7_655 1_655
Si2 Cu1 Si2 180.00(11) 3_455 7_545
Si2 Cu1 Si2 104.13(8) 3_455 3_445
Si2 Cu1 Si2 75.87(8) 7_545 3_445
Si2 Cu1 Si2 75.87(8) 3_455 7
Si2 Cu1 Si2 104.13(8) 7_545 7
Si2 Cu1 Si2 180.00(11) 3_445 7
Si2 Cu1 Hf2 118.83(5) 3_455 7_545
Si2 Cu1 Hf2 61.17(5) 7_545 7_545
Si2 Cu1 Hf2 60.31(5) 3_445 7_545
Si2 Cu1 Hf2 119.69(5) 7 7_545
Si2 Cu1 Hf2 61.17(5) 3_455 3_455
Si2 Cu1 Hf2 118.83(5) 7_545 3_455
Si2 Cu1 Hf2 119.69(5) 3_445 3_455
Si2 Cu1 Hf2 60.31(5) 7 3_455
Hf2 Cu1 Hf2 180.000(12) 7_545 3_455
Si2 Cu1 Hf2 119.69(5) 3_455 3_445
Si2 Cu1 Hf2 60.31(5) 7_545 3_445
Si2 Cu1 Hf2 61.17(5) 3_445 3_445
Si2 Cu1 Hf2 118.83(5) 7 3_445
Hf2 Cu1 Hf2 103.407(10) 7_545 3_445
Hf2 Cu1 Hf2 76.593(10) 3_455 3_445
Si2 Cu1 Hf2 60.31(5) 3_455 7
Si2 Cu1 Hf2 119.69(5) 7_545 7
Si2 Cu1 Hf2 118.83(5) 3_445 7
Si2 Cu1 Hf2 61.17(5) 7 7
Hf2 Cu1 Hf2 76.593(10) 7_545 7
Hf2 Cu1 Hf2 103.407(10) 3_455 7
Hf2 Cu1 Hf2 180.000(10) 3_445 7
Si2 Cu1 Hf1 121.34(5) 3_455 5
Si2 Cu1 Hf1 58.66(5) 7_545 5
Si2 Cu1 Hf1 121.34(5) 3_445 5
Si2 Cu1 Hf1 58.66(5) 7 5
Hf2 Cu1 Hf1 65.844(7) 7_545 5
Hf2 Cu1 Hf1 114.156(7) 3_455 5
Hf2 Cu1 Hf1 114.156(7) 3_445 5
Hf2 Cu1 Hf1 65.844(7) 7 5
Si2 Cu1 Hf1 58.66(5) 3_455 .
Si2 Cu1 Hf1 121.34(5) 7_545 .
Si2 Cu1 Hf1 58.66(5) 3_445 .
Si2 Cu1 Hf1 121.34(5) 7 .
Hf2 Cu1 Hf1 114.156(7) 7_545 .
Hf2 Cu1 Hf1 65.844(7) 3_455 .
Hf2 Cu1 Hf1 65.844(7) 3_445 .
Hf2 Cu1 Hf1 114.156(7) 7 .
Hf1 Cu1 Hf1 180.0 5 .
Si2 Cu1 Hf2 121.36(4) 3_455 5_655
Si2 Cu1 Hf2 58.64(4) 7_545 5_655
Si2 Cu1 Hf2 121.36(4) 3_445 5_655
Si2 Cu1 Hf2 58.64(4) 7 5_655
Hf2 Cu1 Hf2 115.262(9) 7_545 5_655
Hf2 Cu1 Hf2 64.738(9) 3_455 5_655
Hf2 Cu1 Hf2 64.738(9) 3_445 5_655
Hf2 Cu1 Hf2 115.262(9) 7 5_655
Hf1 Cu1 Hf2 64.370(10) 5 5_655
Hf1 Cu1 Hf2 115.630(9) . 5_655
Si2 Cu1 Hf2 58.64(4) 3_455 1_455
Si2 Cu1 Hf2 121.36(4) 7_545 1_455
Si2 Cu1 Hf2 58.64(4) 3_445 1_455
Si2 Cu1 Hf2 121.36(4) 7 1_455
Hf2 Cu1 Hf2 64.738(9) 7_545 1_455
Hf2 Cu1 Hf2 115.262(9) 3_455 1_455
Hf2 Cu1 Hf2 115.262(9) 3_445 1_455
Hf2 Cu1 Hf2 64.738(9) 7 1_455
Hf1 Cu1 Hf2 115.630(9) 5 1_455
Hf1 Cu1 Hf2 64.370(9) . 1_455
Hf2 Cu1 Hf2 180.000(5) 5_655 1_455
Si2 Si1 Si1 102.39(14) . 5_656
Si2 Si1 Hf1 126.10(11) . .
Si1 Si1 Hf1 131.51(13) 5_656 .
Si2 Si1 Hf2 65.33(6) . 3_445
Si1 Si1 Hf2 131.57(6) 5_656 3_445
Hf1 Si1 Hf2 76.77(5) . 3_445
Si2 Si1 Hf2 65.33(6) . 3_455
Si1 Si1 Hf2 131.57(6) 5_656 3_455
Hf1 Si1 Hf2 76.77(5) . 3_455
Hf2 Si1 Hf2 87.76(7) 3_445 3_455
Si2 Si1 Hf1 133.39(5) . 7_556
Si1 Si1 Hf1 67.61(7) 5_656 7_556
Hf1 Si1 Hf1 77.78(5) . 7_556
Hf2 Si1 Hf1 154.54(9) 3_445 7_556
Hf2 Si1 Hf1 87.22(2) 3_455 7_556
Si2 Si1 Hf1 133.39(5) . 7_546
Si1 Si1 Hf1 67.61(7) 5_656 7_546
Hf1 Si1 Hf1 77.78(5) . 7_546
Hf2 Si1 Hf1 87.22(2) 3_445 7_546
Hf2 Si1 Hf1 154.54(9) 3_455 7_546
Hf1 Si1 Hf1 86.66(6) 7_556 7_546
Si2 Si1 Hf1 61.95(6) . 3
Si1 Si1 Hf1 61.19(7) 5_656 3
Hf1 Si1 Hf1 139.39(3) . 3
Hf2 Si1 Hf1 127.24(8) 3_445 3
Hf2 Si1 Hf1 72.76(3) 3_455 3
Hf1 Si1 Hf1 74.58(3) 7_556 3
Hf1 Si1 Hf1 128.80(8) 7_546 3
Si2 Si1 Hf1 61.95(6) . 3_545
Si1 Si1 Hf1 61.19(7) 5_656 3_545
Hf1 Si1 Hf1 139.39(3) . 3_545
Hf2 Si1 Hf1 72.76(3) 3_445 3_545
Hf2 Si1 Hf1 127.24(8) 3_455 3_545
Hf1 Si1 Hf1 128.80(8) 7_556 3_545
Hf1 Si1 Hf1 74.58(3) 7_546 3_545
Hf1 Si1 Hf1 81.12(6) 3 3_545
Cu1 Si2 Cu1 104.13(8) 3_545 3
Cu1 Si2 Si1 127.85(4) 3_545 .
Cu1 Si2 Si1 127.85(4) 3 .
Cu1 Si2 Hf1 142.73(9) 3_545 3
Cu1 Si2 Hf1 73.90(3) 3 3
Si1 Si2 Hf1 67.40(6) . 3
Cu1 Si2 Hf1 73.90(3) 3_545 3_545
Cu1 Si2 Hf1 142.73(9) 3 3_545
Si1 Si2 Hf1 67.40(6) . 3_545
Hf1 Si2 Hf1 85.72(6) 3 3_545
Cu1 Si2 Hf2 71.52(5) 3_545 5_655
Cu1 Si2 Hf2 71.52(5) 3 5_655
Si1 Si2 Hf2 117.54(11) . 5_655
Hf1 Si2 Hf2 136.98(3) 3 5_655
Hf1 Si2 Hf2 136.98(3) 3_545 5_655
Cu1 Si2 Hf2 74.32(3) 3_545 3_445
Cu1 Si2 Hf2 142.75(9) 3 3_445
Si1 Si2 Hf2 62.38(6) . 3_445
Hf1 Si2 Hf2 129.74(8) 3 3_445
Hf1 Si2 Hf2 73.72(3) 3_545 3_445
Hf2 Si2 Hf2 72.92(5) 5_655 3_445
Cu1 Si2 Hf2 142.75(9) 3_545 3_455
Cu1 Si2 Hf2 74.32(3) 3 3_455
Si1 Si2 Hf2 62.38(6) . 3_455
Hf1 Si2 Hf2 73.72(3) 3 3_455
Hf1 Si2 Hf2 129.74(8) 3_545 3_455
Hf2 Si2 Hf2 72.92(5) 5_655 3_455
Hf2 Si2 Hf2 85.05(6) 3_445 3_455
Cu1 Si2 Hf2 70.89(5) 3_545 .
Cu1 Si2 Hf2 70.89(5) 3 .
Si1 Si2 Hf2 125.68(11) . .
Hf1 Si2 Hf2 73.56(5) 3 .
Hf1 Si2 Hf2 73.56(5) 3_545 .
Hf2 Si2 Hf2 116.78(7) 5_655 .
Hf2 Si2 Hf2 137.37(3) 3_445 .
Hf2 Si2 Hf2 137.37(3) 3_455 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hf1 Si1 2.658(2) .
Hf1 Si1 2.7323(16) 7_556
Hf1 Si1 2.7323(16) 7_546
Hf1 Si2 2.7562(16) 3_445
Hf1 Si2 2.7562(16) 3_455
Hf1 Si1 2.8832(16) 3_445
Hf1 Si1 2.8832(16) 3_455
Hf1 Cu1 3.1006(4) .
Hf1 Hf2 3.3176(5) 1_455
Hf1 Hf2 3.3300(4) 3_445
Hf1 Hf2 3.3300(4) 3_455
Hf1 Hf1 3.3846(6) 7_556
Hf2 Si1 2.7048(16) 3
Hf2 Si1 2.7048(16) 3_545
Hf2 Si2 2.771(2) 5_655
Hf2 Si2 2.7739(16) 3
Hf2 Si2 2.7739(15) 3_545
Hf2 Si2 2.805(2) .
Hf2 Cu1 3.0253(3) 3_545
Hf2 Cu1 3.0253(3) 3
Hf2 Cu1 3.1276(4) 1_655
Hf2 Hf2 3.2952(5) 7_645
Hf2 Hf2 3.2952(5) 7_655
Hf2 Hf1 3.3176(5) 1_655
Cu1 Si2 2.3771(13) 3_455
Cu1 Si2 2.3771(13) 7_545
Cu1 Si2 2.3771(13) 3_445
Cu1 Si2 2.3771(13) 7
Cu1 Hf2 3.0253(3) 7_545
Cu1 Hf2 3.0253(3) 3_455
Cu1 Hf2 3.0253(3) 3_445
Cu1 Hf2 3.0253(3) 7
Cu1 Hf1 3.1006(4) 5
Cu1 Hf2 3.1276(4) 5_655
Cu1 Hf2 3.1276(4) 1_455
Si1 Si2 2.415(3) .
Si1 Si1 2.430(5) 5_656
Si1 Hf2 2.7048(16) 3_445
Si1 Hf2 2.7048(16) 3_455
Si1 Hf1 2.7323(16) 7_556
Si1 Hf1 2.7323(16) 7_546
Si1 Hf1 2.8832(16) 3
Si1 Hf1 2.8832(16) 3_545
Si2 Cu1 2.3771(13) 3_545
Si2 Cu1 2.3771(13) 3
Si2 Hf1 2.7562(16) 3
Si2 Hf1 2.7562(16) 3_545
Si2 Hf2 2.771(2) 5_655
Si2 Hf2 2.7739(15) 3_445
Si2 Hf2 2.7739(16) 3_455
