#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/29/4332944.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_4332944
loop_
_publ_author_name
'Han, Mi-Kyung'
'Wu, Ya-Qiao'
'Kramer, Matthew'
'Vatovez, Benjamin'
'Grandjean, Fernande'
'Long, Gary J.'
'Miller, Gordon J.'
_publ_section_title
;
 Superstructure in RE2-xFe4Si14-y(RE = Y, Gd−Lu) Characterized by
 Diffraction, Electron Microscopy, and Mössbauer Spectroscopy
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10503
_journal_page_last               10519
_journal_paper_doi               10.1021/ic061117c
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Fe4 Ho1.2 Si9.9'
_chemical_formula_weight         699.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   geom
_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                   3.9371(6)
_cell_length_b                   3.9371(6)
_cell_length_c                   15.292(3)
_cell_measurement_temperature    293(2)
_cell_volume                     205.28(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0144
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1118
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    19.695
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    5.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             323
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.783
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       0.0168(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.351
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.351
_refine_ls_R_factor_all          0.0181
_refine_ls_R_factor_gt           0.0176
_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+0.9606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0348
_refine_ls_wR_factor_ref         0.0349
_reflns_number_gt                125
_reflns_number_total             126
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061117csup4.cif
_cod_data_source_block           p63mmc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P6(3)/mmc
_cod_original_formula_sum        'Fe4 Ho1.20 Si9.90'
_cod_database_code               4332944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
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
Ho1 Ho 0.6667 0.3333 0.7500 0.0062(3) Uani 0.582(3) 12 d SP
Fe2 Fe 0.3333 0.6667 0.60731(6) 0.0057(3) Uani 1 6 d S
Si3 Si 0.6667 0.3333 0.54552(12) 0.0062(4) Uani 1 6 d S
Si4 Si 1.0000 0.0000 0.63262(12) 0.0074(4) Uani 1 6 d S
Si5 Si 1.0658(17) 0.5329(9) 0.7500 0.0137(16) Uani 0.310(6) 4 d SP
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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
Si5 Ho1 Si5 120.000(2) 3_665 .
Si5 Ho1 Si5 120.000(1) 3_665 2_655
Si5 Ho1 Si5 120.000(1) . 2_655
Si5 Ho1 Si5 136.14(9) 3_665 3_775
Si5 Ho1 Si5 16.14(8) . 3_775
Si5 Ho1 Si5 103.86(9) 2_655 3_775
Si5 Ho1 Si5 16.14(9) 3_665 2_645
Si5 Ho1 Si5 103.86(8) . 2_645
Si5 Ho1 Si5 136.14(9) 2_655 2_645
Si5 Ho1 Si5 120.000(1) 3_775 2_645
Si5 Ho1 Si5 16.14(8) 3_665 1_445
Si5 Ho1 Si5 136.14(9) . 1_445
Si5 Ho1 Si5 103.86(9) 2_655 1_445
Si5 Ho1 Si5 152.29(17) 3_775 1_445
Si5 Ho1 Si5 32.29(17) 2_645 1_445
Si5 Ho1 Si5 103.86(8) 3_665 2_755
Si5 Ho1 Si5 16.14(9) . 2_755
Si5 Ho1 Si5 136.14(9) 2_655 2_755
Si5 Ho1 Si5 32.29(17) 3_775 2_755
Si5 Ho1 Si5 87.71(17) 2_645 2_755
Si5 Ho1 Si5 120.000(1) 1_445 2_755
Si5 Ho1 Si5 103.86(9) 3_665 1_455
Si5 Ho1 Si5 136.14(9) . 1_455
Si5 Ho1 Si5 16.14(9) 2_655 1_455
Si5 Ho1 Si5 120.000(5) 3_775 1_455
Si5 Ho1 Si5 120.000(5) 2_645 1_455
Si5 Ho1 Si5 87.71(17) 1_445 1_455
Si5 Ho1 Si5 152.29(18) 2_755 1_455
Si5 Ho1 Si5 136.14(9) 3_665 3_675
Si5 Ho1 Si5 103.86(9) . 3_675
Si5 Ho1 Si5 16.14(9) 2_655 3_675
Si5 Ho1 Si5 87.71(17) 3_775 3_675
Si5 Ho1 Si5 152.29(18) 2_645 3_675
Si5 Ho1 Si5 120.000(5) 1_445 3_675
Si5 Ho1 Si5 120.000(6) 2_755 3_675
Si5 Ho1 Si5 32.29(17) 1_455 3_675
Si5 Ho1 Si4 141.70(3) 3_665 16_567
Si5 Ho1 Si4 66.895(10) . 16_567
Si5 Ho1 Si4 66.895(10) 2_655 16_567
Si5 Ho1 Si4 55.53(6) 3_775 16_567
Si5 Ho1 Si4 138.93(4) 2_645 16_567
Si5 Ho1 Si4 138.93(4) 1_445 16_567
Si5 Ho1 Si4 79.17(7) 2_755 16_567
Si5 Ho1 Si4 79.17(7) 1_455 16_567
Si5 Ho1 Si4 55.53(6) 3_675 16_567
Si5 Ho1 Si4 66.895(10) 3_665 16_557
Si5 Ho1 Si4 66.895(10) . 16_557
Si5 Ho1 Si4 141.70(3) 2_655 16_557
Si5 Ho1 Si4 79.17(6) 3_775 16_557
Si5 Ho1 Si4 55.53(6) 2_645 16_557
Si5 Ho1 Si4 79.17(6) 1_445 16_557
Si5 Ho1 Si4 55.53(6) 2_755 16_557
Si5 Ho1 Si4 138.93(4) 1_455 16_557
Si5 Ho1 Si4 138.93(4) 3_675 16_557
Si4 Ho1 Si4 85.64(4) 16_567 16_557
Si5 Ho1 Si4 66.895(10) 3_665 .
Si5 Ho1 Si4 66.895(10) . .
Si5 Ho1 Si4 141.70(3) 2_655 .
Si5 Ho1 Si4 79.17(6) 3_775 .
Si5 Ho1 Si4 55.53(6) 2_645 .
Si5 Ho1 Si4 79.17(6) 1_445 .
Si5 Ho1 Si4 55.53(6) 2_755 .
Si5 Ho1 Si4 138.93(4) 1_455 .
Si5 Ho1 Si4 138.93(4) 3_675 .
Si4 Ho1 Si4 133.79(2) 16_567 .
Si4 Ho1 Si4 76.59(6) 16_557 .
Si4 Fe2 Si4 117.24(3) 1_465 1_565
Si4 Fe2 Si4 117.24(3) 1_465 1_455
Si4 Fe2 Si4 117.24(3) 1_565 1_455
Si4 Fe2 Si3 99.66(5) 1_465 13_666
Si4 Fe2 Si3 99.66(5) 1_565 13_666
Si4 Fe2 Si3 99.66(5) 1_455 13_666
Si4 Fe2 Si5 69.82(7) 1_465 3_675
Si4 Fe2 Si5 69.82(7) 1_565 3_675
Si4 Fe2 Si5 103.03(15) 1_455 3_675
Si3 Fe2 Si5 157.31(14) 13_666 3_675
Si4 Fe2 Si5 69.82(7) 1_465 1_455
Si4 Fe2 Si5 103.03(15) 1_565 1_455
Si4 Fe2 Si5 69.82(7) 1_455 1_455
Si3 Fe2 Si5 157.31(14) 13_666 1_455
Si5 Fe2 Si5 39.0(2) 3_675 1_455
Si4 Fe2 Si5 103.03(15) 1_465 2_655
Si4 Fe2 Si5 69.82(7) 1_565 2_655
Si4 Fe2 Si5 69.82(7) 1_455 2_655
Si3 Fe2 Si5 157.31(13) 13_666 2_655
Si5 Fe2 Si5 39.0(2) 3_675 2_655
Si5 Fe2 Si5 39.0(2) 1_455 2_655
Si4 Fe2 Si3 67.00(3) 1_465 1_455
Si4 Fe2 Si3 167.09(7) 1_565 1_455
Si4 Fe2 Si3 67.00(3) 1_455 1_455
Si3 Fe2 Si3 67.43(4) 13_666 1_455
Si5 Fe2 Si3 122.16(6) 3_675 1_455
Si5 Fe2 Si3 89.88(14) 1_455 1_455
Si5 Fe2 Si3 122.16(6) 2_655 1_455
Si4 Fe2 Si3 67.00(3) 1_465 1_565
Si4 Fe2 Si3 67.00(3) 1_565 1_565
Si4 Fe2 Si3 167.09(7) 1_455 1_565
Si3 Fe2 Si3 67.43(4) 13_666 1_565
Si5 Fe2 Si3 89.88(14) 3_675 1_565
Si5 Fe2 Si3 122.16(6) 1_455 1_565
Si5 Fe2 Si3 122.16(6) 2_655 1_565
Si3 Fe2 Si3 106.20(5) 1_455 1_565
Si4 Fe2 Si3 167.09(7) 1_465 .
Si4 Fe2 Si3 67.00(3) 1_565 .
Si4 Fe2 Si3 67.00(3) 1_455 .
Si3 Fe2 Si3 67.43(4) 13_666 .
Si5 Fe2 Si3 122.16(6) 3_675 .
Si5 Fe2 Si3 122.16(6) 1_455 .
Si5 Fe2 Si3 89.88(14) 2_655 .
Si3 Fe2 Si3 106.20(5) 1_455 .
Si3 Fe2 Si3 106.20(5) 1_565 .
Si4 Fe2 Ho1 61.85(3) 1_465 1_565
Si4 Fe2 Ho1 61.85(3) 1_565 1_565
Si4 Fe2 Ho1 126.51(6) 1_455 1_565
Si3 Fe2 Ho1 133.828(14) 13_666 1_565
Si5 Fe2 Ho1 23.48(14) 3_675 1_565
Si5 Fe2 Ho1 60.02(10) 1_455 1_565
Si5 Fe2 Ho1 60.02(10) 2_655 1_565
Si3 Fe2 Ho1 126.79(3) 1_455 1_565
Si3 Fe2 Ho1 66.40(4) 1_565 1_565
Si3 Fe2 Ho1 126.79(3) . 1_565
Si4 Fe2 Ho1 61.85(3) 1_465 1_455
Si4 Fe2 Ho1 126.51(6) 1_565 1_455
Si4 Fe2 Ho1 61.85(3) 1_455 1_455
Si3 Fe2 Ho1 133.828(14) 13_666 1_455
Si5 Fe2 Ho1 60.02(10) 3_675 1_455
Si5 Fe2 Ho1 23.48(14) 1_455 1_455
Si5 Fe2 Ho1 60.02(10) 2_655 1_455
Si3 Fe2 Ho1 66.40(4) 1_455 1_455
Si3 Fe2 Ho1 126.79(3) 1_565 1_455
Si3 Fe2 Ho1 126.79(3) . 1_455
Ho1 Fe2 Ho1 77.33(2) 1_565 1_455
Fe2 Si3 Fe2 112.57(4) 13_666 1_655
Fe2 Si3 Fe2 112.57(4) 13_666 1_545
Fe2 Si3 Fe2 106.20(5) 1_655 1_545
Fe2 Si3 Fe2 112.57(4) 13_666 .
Fe2 Si3 Fe2 106.20(5) 1_655 .
Fe2 Si3 Fe2 106.20(5) 1_545 .
Fe2 Si3 Si4 120.37(5) 13_666 1_565
Fe2 Si3 Si4 53.67(2) 1_655 1_565
Fe2 Si3 Si4 127.06(8) 1_545 1_565
Fe2 Si3 Si4 53.67(2) . 1_565
Fe2 Si3 Si4 120.37(5) 13_666 .
Fe2 Si3 Si4 53.67(2) 1_655 .
Fe2 Si3 Si4 53.67(2) 1_545 .
Fe2 Si3 Si4 127.06(8) . .
Si4 Si3 Si4 96.70(6) 1_565 .
Fe2 Si3 Si4 120.37(5) 13_666 1_455
Fe2 Si3 Si4 127.06(8) 1_655 1_455
Fe2 Si3 Si4 53.67(2) 1_545 1_455
Fe2 Si3 Si4 53.67(2) . 1_455
Si4 Si3 Si4 96.70(6) 1_565 1_455
Si4 Si3 Si4 96.70(6) . 1_455
Fe2 Si3 Si3 58.51(7) 13_666 13_656
Fe2 Si3 Si3 126.456(12) 1_655 13_656
Fe2 Si3 Si3 54.06(3) 1_545 13_656
Fe2 Si3 Si3 126.456(12) . 13_656
Si4 Si3 Si3 178.88(10) 1_565 13_656
Si4 Si3 Si3 84.04(3) . 13_656
Si4 Si3 Si3 84.04(3) 1_455 13_656
Fe2 Si3 Si3 58.51(7) 13_666 13_766
Fe2 Si3 Si3 54.06(3) 1_655 13_766
Fe2 Si3 Si3 126.456(12) 1_545 13_766
Fe2 Si3 Si3 126.456(12) . 13_766
Si4 Si3 Si3 84.04(3) 1_565 13_766
Si4 Si3 Si3 84.04(3) . 13_766
Si4 Si3 Si3 178.88(10) 1_455 13_766
Si3 Si3 Si3 95.21(9) 13_656 13_766
Fe2 Si3 Si3 58.51(7) 13_666 13_666
Fe2 Si3 Si3 126.456(12) 1_655 13_666
Fe2 Si3 Si3 126.456(12) 1_545 13_666
Fe2 Si3 Si3 54.06(3) . 13_666
Si4 Si3 Si3 84.04(3) 1_565 13_666
Si4 Si3 Si3 178.88(10) . 13_666
Si4 Si3 Si3 84.04(3) 1_455 13_666
Si3 Si3 Si3 95.21(9) 13_656 13_666
Si3 Si3 Si3 95.21(9) 13_766 13_666
Fe2 Si3 Ho1 180.0 13_666 .
Fe2 Si3 Ho1 67.43(4) 1_655 .
Fe2 Si3 Ho1 67.43(4) 1_545 .
Fe2 Si3 Ho1 67.43(4) . .
Si4 Si3 Ho1 59.63(5) 1_565 .
Si4 Si3 Ho1 59.63(5) . .
Si4 Si3 Ho1 59.63(5) 1_455 .
Si3 Si3 Ho1 121.49(7) 13_656 .
Si3 Si3 Ho1 121.49(7) 13_766 .
Si3 Si3 Ho1 121.49(7) 13_666 .
Fe2 Si4 Fe2 117.24(3) 1_645 1_545
Fe2 Si4 Fe2 117.24(3) 1_645 1_655
Fe2 Si4 Fe2 117.24(3) 1_545 1_655
Fe2 Si4 Si3 139.97(9) 1_645 .
Fe2 Si4 Si3 59.33(2) 1_545 .
Fe2 Si4 Si3 59.33(2) 1_655 .
Fe2 Si4 Si3 59.33(2) 1_645 1_545
Fe2 Si4 Si3 59.33(2) 1_545 1_545
Fe2 Si4 Si3 139.97(9) 1_655 1_545
Si3 Si4 Si3 96.70(6) . 1_545
Fe2 Si4 Si3 59.33(2) 1_645 1_655
Fe2 Si4 Si3 139.97(9) 1_545 1_655
Fe2 Si4 Si3 59.33(2) 1_655 1_655
Si3 Si4 Si3 96.70(6) . 1_655
Si3 Si4 Si3 96.70(6) 1_545 1_655
Fe2 Si4 Si5 56.13(7) 1_645 3_765
Fe2 Si4 Si5 134.43(11) 1_545 3_765
Fe2 Si4 Si5 101.27(14) 1_655 3_765
Si3 Si4 Si5 157.79(13) . 3_765
Si3 Si4 Si5 105.49(12) 1_545 3_765
Si3 Si4 Si5 79.95(7) 1_655 3_765
Fe2 Si4 Si5 134.43(11) 1_645 .
Fe2 Si4 Si5 101.27(13) 1_545 .
Fe2 Si4 Si5 56.13(8) 1_655 .
Si3 Si4 Si5 79.95(7) . .
Si3 Si4 Si5 157.79(13) 1_545 .
Si3 Si4 Si5 105.49(12) 1_655 .
Si5 Si4 Si5 79.86(5) 3_765 .
Fe2 Si4 Si5 101.27(13) 1_645 2_755
Fe2 Si4 Si5 134.43(11) 1_545 2_755
Fe2 Si4 Si5 56.13(7) 1_655 2_755
Si3 Si4 Si5 105.49(12) . 2_755
Si3 Si4 Si5 157.79(13) 1_545 2_755
Si3 Si4 Si5 79.95(7) 1_655 2_755
Si5 Si4 Si5 52.3(2) 3_765 2_755
Si5 Si4 Si5 34.4(2) . 2_755
Fe2 Si4 Si5 101.27(13) 1_645 2_645
Fe2 Si4 Si5 56.13(7) 1_545 2_645
Fe2 Si4 Si5 134.43(11) 1_655 2_645
Si3 Si4 Si5 105.49(12) . 2_645
Si3 Si4 Si5 79.95(7) 1_545 2_645
Si3 Si4 Si5 157.79(13) 1_655 2_645
Si5 Si4 Si5 79.86(5) 3_765 2_645
Si5 Si4 Si5 79.86(5) . 2_645
Si5 Si4 Si5 94.84(6) 2_755 2_645
Fe2 Si4 Si5 56.13(7) 1_645 1_545
Fe2 Si4 Si5 101.27(14) 1_545 1_545
Fe2 Si4 Si5 134.43(11) 1_655 1_545
Si3 Si4 Si5 157.79(13) . 1_545
Si3 Si4 Si5 79.95(7) 1_545 1_545
Si3 Si4 Si5 105.49(12) 1_655 1_545
Si5 Si4 Si5 34.4(2) 3_765 1_545
Si5 Si4 Si5 94.84(6) . 1_545
Si5 Si4 Si5 79.86(5) 2_755 1_545
Si5 Si4 Si5 52.3(2) 2_645 1_545
Fe2 Si4 Si5 134.43(11) 1_645 3_665
Fe2 Si4 Si5 56.13(8) 1_545 3_665
Fe2 Si4 Si5 101.27(13) 1_655 3_665
Si3 Si4 Si5 79.95(7) . 3_665
Si3 Si4 Si5 105.49(12) 1_545 3_665
Si3 Si4 Si5 157.79(13) 1_655 3_665
Si5 Si4 Si5 94.84(6) 3_765 3_665
Si5 Si4 Si5 52.3(2) . 3_665
Si5 Si4 Si5 79.86(5) 2_755 3_665
Si5 Si4 Si5 34.4(2) 2_645 3_665
Si5 Si4 Si5 79.86(5) 1_545 3_665
Ho1 Si5 Si5 150.000(1) . 3_775
Ho1 Si5 Si5 150.0 . 2_755
Si5 Si5 Si5 60.0 3_775 2_755
Ho1 Si5 Si5 30.000(1) . 3_665
Si5 Si5 Si5 180.000(1) 3_775 3_665
Si5 Si5 Si5 120.000(2) 2_755 3_665
Ho1 Si5 Si5 30.0 . 2_655
Si5 Si5 Si5 120.0 3_775 2_655
Si5 Si5 Si5 180.000(1) 2_755 2_655
Si5 Si5 Si5 60.0 3_665 2_655
Ho1 Si5 Fe2 112.69(13) . 16_657
Si5 Si5 Fe2 70.48(11) 3_775 16_657
Si5 Si5 Fe2 70.48(11) 2_755 16_657
Si5 Si5 Fe2 109.52(11) 3_665 16_657
Si5 Si5 Fe2 109.52(11) 2_655 16_657
Ho1 Si5 Fe2 112.69(13) . 1_655
Si5 Si5 Fe2 70.48(11) 3_775 1_655
Si5 Si5 Fe2 70.48(11) 2_755 1_655
Si5 Si5 Fe2 109.52(11) 3_665 1_655
Si5 Si5 Fe2 109.52(11) 2_655 1_655
Fe2 Si5 Fe2 134.6(3) 16_657 1_655
Ho1 Si5 Si4 85.19(13) . .
Si5 Si5 Si4 116.16(12) 3_775 .
Si5 Si5 Si4 72.81(12) 2_755 .
Si5 Si5 Si4 63.84(12) 3_665 .
Si5 Si5 Si4 107.19(12) 2_655 .
Fe2 Si5 Si4 130.68(9) 16_657 .
Fe2 Si5 Si4 54.05(3) 1_655 .
Ho1 Si5 Si4 85.19(13) . 16_557
Si5 Si5 Si4 116.16(12) 3_775 16_557
Si5 Si5 Si4 72.81(12) 2_755 16_557
Si5 Si5 Si4 63.84(12) 3_665 16_557
Si5 Si5 Si4 107.19(12) 2_655 16_557
Fe2 Si5 Si4 54.05(3) 16_657 16_557
Fe2 Si5 Si4 130.68(9) 1_655 16_557
Si4 Si5 Si4 84.35(6) . 16_557
Ho1 Si5 Si4 85.19(13) . 16_567
Si5 Si5 Si4 72.81(12) 3_775 16_567
Si5 Si5 Si4 116.16(12) 2_755 16_567
Si5 Si5 Si4 107.19(12) 3_665 16_567
Si5 Si5 Si4 63.84(12) 2_655 16_567
Fe2 Si5 Si4 54.05(3) 16_657 16_567
Fe2 Si5 Si4 130.68(9) 1_655 16_567
Si4 Si5 Si4 170.4(3) . 16_567
Si4 Si5 Si4 94.84(6) 16_557 16_567
Ho1 Si5 Si4 85.19(13) . 1_565
Si5 Si5 Si4 72.81(12) 3_775 1_565
Si5 Si5 Si4 116.16(12) 2_755 1_565
Si5 Si5 Si4 107.19(12) 3_665 1_565
Si5 Si5 Si4 63.84(12) 2_655 1_565
Fe2 Si5 Si4 130.68(9) 16_657 1_565
Fe2 Si5 Si4 54.05(3) 1_655 1_565
Si4 Si5 Si4 94.84(6) . 1_565
Si4 Si5 Si4 170.4(3) 16_557 1_565
Si4 Si5 Si4 84.35(6) 16_567 1_565
Ho1 Si5 Ho1 136.14(8) . 1_665
Si5 Si5 Ho1 13.86(8) 3_775 1_665
Si5 Si5 Ho1 73.86(8) 2_755 1_665
Si5 Si5 Ho1 166.14(8) 3_665 1_665
Si5 Si5 Ho1 106.14(8) 2_655 1_665
Fe2 Si5 Ho1 73.85(12) 16_657 1_665
Fe2 Si5 Ho1 73.85(12) 1_655 1_665
Si4 Si5 Ho1 124.80(15) . 1_665
Si4 Si5 Ho1 124.80(15) 16_557 1_665
Si4 Si5 Ho1 63.28(5) 16_567 1_665
Si4 Si5 Ho1 63.28(5) 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
Ho1 Si5 1.361(6) 3_665
Ho1 Si5 1.361(6) .
Ho1 Si5 1.361(6) 2_655
Ho1 Si5 2.841(5) 3_775
Ho1 Si5 2.841(4) 2_645
Ho1 Si5 2.841(5) 1_445
Ho1 Si5 2.841(4) 2_755
Ho1 Si5 2.841(4) 1_455
Ho1 Si5 2.841(4) 3_675
Ho1 Si4 2.8963(12) 16_567
Ho1 Si4 2.8963(12) 16_557
Ho1 Si4 2.8963(12) .
Fe2 Si4 2.3058(5) 1_465
Fe2 Si4 2.3058(5) 1_565
Fe2 Si4 2.3058(5) 1_455
Fe2 Si3 2.337(2) 13_666
Fe2 Si5 2.365(3) 3_675
Fe2 Si5 2.365(3) 1_455
Fe2 Si5 2.365(2) 2_655
Fe2 Si3 2.4616(9) 1_455
Fe2 Si3 2.4616(9) 1_565
Fe2 Si3 2.4616(8) .
Fe2 Ho1 3.1508(7) 1_565
Fe2 Ho1 3.1508(7) 1_455
Si3 Fe2 2.337(2) 13_666
Si3 Fe2 2.4616(8) 1_655
Si3 Fe2 2.4616(8) 1_545
Si3 Si4 2.6346(13) 1_565
Si3 Si4 2.6346(13) .
Si3 Si4 2.6346(13) 1_455
Si3 Si3 2.6656(19) 13_656
Si3 Si3 2.6656(19) 13_766
Si3 Si3 2.6656(19) 13_666
Si4 Fe2 2.3058(5) 1_645
Si4 Fe2 2.3058(5) 1_545
Si4 Fe2 2.3058(5) 1_655
Si4 Si3 2.6346(13) 1_545
Si4 Si3 2.6346(13) 1_655
Si4 Si5 2.6734(13) 3_765
Si4 Si5 2.6734(13) .
Si4 Si5 2.6734(13) 2_755
Si4 Si5 2.6734(13) 2_645
Si4 Si5 2.6734(13) 1_545
Si4 Si5 2.6734(13) 3_665
Si5 Si5 1.580(10) 3_775
Si5 Si5 1.580(10) 2_755
Si5 Si5 2.357(10) 3_665
Si5 Si5 2.357(10) 2_655
Si5 Fe2 2.365(2) 16_657
Si5 Fe2 2.365(2) 1_655
Si5 Si4 2.6734(13) 16_557
Si5 Si4 2.6734(13) 16_567
Si5 Si4 2.6734(13) 1_565
Si5 Ho1 2.841(4) 1_665
