#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:00:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179462 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/59/4335911.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_4335911
loop_
_publ_author_name
'Nicholas P. Calta'
'Mercouri G. Kanatzidis'
_publ_section_title
;
 Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23-xSix (RE = Ho,
 Er, Yb) and Er44Mn55(AlSi)237
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9931
_journal_page_last               9940
_journal_paper_doi               10.1021/ic401659y
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Al13 Ho5 Mn4 Si10'
_chemical_formula_weight         1676.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   11.4171(10)
_cell_length_b                   11.4171(10)
_cell_length_c                   4.0575(4)
_cell_measurement_reflns_used    8780
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.65
_cell_measurement_theta_min      1.87
_cell_volume                     528.90(8)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            5141
_diffrn_reflns_theta_full        29.11
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    21.868
_exptl_absorpt_correction_T_max  0.4601
_exptl_absorpt_correction_T_min  0.2325
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   X-Red32
_exptl_crystal_colour            'metallic silver'
_exptl_crystal_density_diffrn    5.262
_exptl_crystal_description       plate
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.079
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.319
_refine_diff_density_rms         0.257
_refine_ls_extinction_coef       0.0096(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.386
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_reflns         468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.386
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0185
_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)+(0.0239P)²+1.1981P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                467
_reflns_number_total             468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401659y_si_001_2.cif
_cod_data_source_block           Hotetragonal
_cod_database_code               4335911
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'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
Ho1 Ho 0.0000 0.0000 0.0000 0.00671(17) Uani 1 16 d S
Ho2 Ho 0.5000 0.26718(2) 0.0000 0.00592(15) Uani 1 4 d S
Mn1 Mn 0.0000 0.29151(9) 0.0000 0.0049(2) Uani 1 4 d S
Al1 Al 0.20130(15) 0.20130(15) 0.0000 0.0117(4) Uani 0.66 4 d SP
Si1 Si 0.20130(15) 0.20130(15) 0.0000 0.0117(4) Uani 0.34 4 d SP
Al2 Al 0.36888(13) 0.11693(12) 0.5000 0.0081(3) Uani 0.66 2 d SP
Si2 Si 0.36888(13) 0.11693(12) 0.5000 0.0081(3) Uani 0.34 2 d SP
Al3 Al 0.5000 0.5000 0.5000 0.0093(8) Uani 0.66 16 d SP
Si3 Si 0.5000 0.5000 0.5000 0.0093(8) Uani 0.34 16 d SP
Al4 Al 0.17640(16) 0.0000 0.5000 0.0045(4) Uani 0.66 4 d SP
Si4 Si 0.17640(16) 0.0000 0.5000 0.0045(4) Uani 0.34 4 d SP
Al5 Al 0.33499(12) 0.33499(12) 0.5000 0.0033(3) Uani 0.66 4 d SP
Si5 Si 0.33499(12) 0.33499(12) 0.5000 0.0033(3) Uani 0.34 4 d SP
Al6 Al 0.0000 0.5000 0.0000 0.0062(5) Uani 0.66 8 d SP
Si6 Si 0.0000 0.5000 0.0000 0.0062(5) Uani 0.34 8 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
Si4 Ho1 Si4 180.00(5) 11 3
Si4 Ho1 Si4 59.76(3) 11 9
Si4 Ho1 Si4 120.24(3) 3 9
Si4 Ho1 Al4 0.00(5) 11 11
Si4 Ho1 Al4 180.0 3 11
Si4 Ho1 Al4 59.76(3) 9 11
Si4 Ho1 Al4 180.00(5) 11 3
Si4 Ho1 Al4 0.00(5) 3 3
Si4 Ho1 Al4 120.24(3) 9 3
Al4 Ho1 Al4 180.00(5) 11 3
Si4 Ho1 Al4 59.76(3) 11 9
Si4 Ho1 Al4 120.24(3) 3 9
Si4 Ho1 Al4 0.00(5) 9 9
Al4 Ho1 Al4 59.76(3) 11 9
Al4 Ho1 Al4 120.24(3) 3 9
Si4 Ho1 Si4 90.42(5) 11 11_556
Si4 Ho1 Si4 89.58(5) 3 11_556
Si4 Ho1 Si4 120.24(3) 9 11_556
Al4 Ho1 Si4 90.42(5) 11 11_556
Al4 Ho1 Si4 89.58(5) 3 11_556
Al4 Ho1 Si4 120.24(3) 9 11_556
Si4 Ho1 Si4 89.58(5) 11 3_554
Si4 Ho1 Si4 90.42(5) 3 3_554
Si4 Ho1 Si4 59.76(3) 9 3_554
Al4 Ho1 Si4 89.58(5) 11 3_554
Al4 Ho1 Si4 90.42(5) 3 3_554
Al4 Ho1 Si4 59.76(3) 9 3_554
Si4 Ho1 Si4 180.00(5) 11_556 3_554
Si4 Ho1 Si4 120.24(3) 11 9_556
Si4 Ho1 Si4 59.76(3) 3 9_556
Si4 Ho1 Si4 90.42(5) 9 9_556
Al4 Ho1 Si4 120.24(3) 11 9_556
Al4 Ho1 Si4 59.76(3) 3 9_556
Al4 Ho1 Si4 90.42(5) 9 9_556
Si4 Ho1 Si4 59.76(3) 11_556 9_556
Si4 Ho1 Si4 120.24(3) 3_554 9_556
Si4 Ho1 Si4 59.76(3) 11 1_554
Si4 Ho1 Si4 120.24(3) 3 1_554
Si4 Ho1 Si4 89.58(5) 9 1_554
Al4 Ho1 Si4 59.76(3) 11 1_554
Al4 Ho1 Si4 120.24(3) 3 1_554
Al4 Ho1 Si4 89.58(5) 9 1_554
Si4 Ho1 Si4 120.24(3) 11_556 1_554
Si4 Ho1 Si4 59.76(3) 3_554 1_554
Si4 Ho1 Si4 180.00(5) 9_556 1_554
Si4 Ho1 Al4 90.42(5) 11 11_556
Si4 Ho1 Al4 89.58(5) 3 11_556
Si4 Ho1 Al4 120.24(3) 9 11_556
Al4 Ho1 Al4 90.42(5) 11 11_556
Al4 Ho1 Al4 89.58(5) 3 11_556
Al4 Ho1 Al4 120.24(3) 9 11_556
Si4 Ho1 Al4 0.00(5) 11_556 11_556
Si4 Ho1 Al4 180.00(5) 3_554 11_556
Si4 Ho1 Al4 59.76(3) 9_556 11_556
Si4 Ho1 Al4 120.24(3) 1_554 11_556
Si4 Ho1 Al4 89.58(5) 11 3_554
Si4 Ho1 Al4 90.42(5) 3 3_554
Si4 Ho1 Al4 59.76(3) 9 3_554
Al4 Ho1 Al4 89.58(5) 11 3_554
Al4 Ho1 Al4 90.42(5) 3 3_554
Al4 Ho1 Al4 59.76(3) 9 3_554
Si4 Ho1 Al4 180.00(5) 11_556 3_554
Si4 Ho1 Al4 0.00(5) 3_554 3_554
Si4 Ho1 Al4 120.24(3) 9_556 3_554
Si4 Ho1 Al4 59.76(3) 1_554 3_554
Al4 Ho1 Al4 180.00(5) 11_556 3_554
Al5 Ho2 Si5 81.89(5) . 3_655
Al5 Ho2 Al5 81.89(5) . 3_655
Si5 Ho2 Al5 0.0 3_655 3_655
Al5 Ho2 Si5 89.77(2) . 1_554
Si5 Ho2 Si5 148.75(6) 3_655 1_554
Al5 Ho2 Si5 148.75(6) 3_655 1_554
Al5 Ho2 Al5 89.77(2) . 1_554
Si5 Ho2 Al5 148.75(6) 3_655 1_554
Al5 Ho2 Al5 148.75(6) 3_655 1_554
Si5 Ho2 Al5 0.000(11) 1_554 1_554
Al5 Ho2 Si5 148.75(6) . 3_654
Si5 Ho2 Si5 89.77(2) 3_655 3_654
Al5 Ho2 Si5 89.77(2) 3_655 3_654
Si5 Ho2 Si5 81.89(5) 1_554 3_654
Al5 Ho2 Si5 81.89(5) 1_554 3_654
Al5 Ho2 Al5 148.75(6) . 3_654
Si5 Ho2 Al5 89.77(2) 3_655 3_654
Al5 Ho2 Al5 89.77(2) 3_655 3_654
Si5 Ho2 Al5 81.89(5) 1_554 3_654
Al5 Ho2 Al5 81.89(5) 1_554 3_654
Si5 Ho2 Al5 0.00(5) 3_654 3_654
Al5 Ho2 Si2 107.41(4) . 1_554
Si5 Ho2 Si2 160.51(5) 3_655 1_554
Al5 Ho2 Si2 160.51(5) 3_655 1_554
Si5 Ho2 Si2 50.23(4) 1_554 1_554
Al5 Ho2 Si2 50.23(4) 1_554 1_554
Si5 Ho2 Si2 90.21(2) 3_654 1_554
Al5 Ho2 Si2 90.21(2) 3_654 1_554
Al5 Ho2 Al2 107.41(4) . 1_554
Si5 Ho2 Al2 160.51(5) 3_655 1_554
Al5 Ho2 Al2 160.51(5) 3_655 1_554
Si5 Ho2 Al2 50.23(4) 1_554 1_554
Al5 Ho2 Al2 50.23(4) 1_554 1_554
Si5 Ho2 Al2 90.21(2) 3_654 1_554
Al5 Ho2 Al2 90.21(2) 3_654 1_554
Si2 Ho2 Al2 0.00(7) 1_554 1_554
Al5 Ho2 Si2 160.51(5) . 5_655
Si5 Ho2 Si2 107.41(4) 3_655 5_655
Al5 Ho2 Si2 107.41(4) 3_655 5_655
Si5 Ho2 Si2 90.21(2) 1_554 5_655
Al5 Ho2 Si2 90.21(2) 1_554 5_655
Si5 Ho2 Si2 50.23(4) 3_654 5_655
Al5 Ho2 Si2 50.23(4) 3_654 5_655
Si2 Ho2 Si2 58.80(5) 1_554 5_655
Al2 Ho2 Si2 58.80(5) 1_554 5_655
Al5 Ho2 Al2 160.51(5) . 5_655
Si5 Ho2 Al2 107.41(4) 3_655 5_655
Al5 Ho2 Al2 107.41(4) 3_655 5_655
Si5 Ho2 Al2 90.21(2) 1_554 5_655
Al5 Ho2 Al2 90.21(2) 1_554 5_655
Si5 Ho2 Al2 50.23(4) 3_654 5_655
Al5 Ho2 Al2 50.23(4) 3_654 5_655
Si2 Ho2 Al2 58.80(5) 1_554 5_655
Al2 Ho2 Al2 58.80(5) 1_554 5_655
Si2 Ho2 Al2 0.00(5) 5_655 5_655
Al6 Mn1 Si4 122.94(4) . 3_554
Al6 Mn1 Al4 122.94(4) . 3_554
Si4 Mn1 Al4 0.00(7) 3_554 3_554
Al6 Mn1 Si4 122.94(4) . 3
Si4 Mn1 Si4 114.13(8) 3_554 3
Al4 Mn1 Si4 114.13(8) 3_554 3
Al6 Mn1 Al4 122.94(4) . 3
Si4 Mn1 Al4 114.13(8) 3_554 3
Al4 Mn1 Al4 114.13(8) 3_554 3
Si4 Mn1 Al4 0.00(7) 3 3
Al6 Mn1 Al1 114.14(5) . .
Si4 Mn1 Al1 77.15(3) 3_554 .
Al4 Mn1 Al1 77.15(3) 3_554 .
Si4 Mn1 Al1 77.15(3) 3 .
Al4 Mn1 Al1 77.15(3) 3 .
Al6 Mn1 Si1 114.14(5) . 3
Si4 Mn1 Si1 77.15(3) 3_554 3
Al4 Mn1 Si1 77.15(3) 3_554 3
Si4 Mn1 Si1 77.15(3) 3 3
Al4 Mn1 Si1 77.15(3) 3 3
Al1 Mn1 Si1 131.72(11) . 3
Al6 Mn1 Al1 114.14(5) . 3
Si4 Mn1 Al1 77.15(3) 3_554 3
Al4 Mn1 Al1 77.15(3) 3_554 3
Si4 Mn1 Al1 77.15(3) 3 3
Al4 Mn1 Al1 77.15(3) 3 3
Al1 Mn1 Al1 131.72(11) . 3
Si1 Mn1 Al1 0.00(4) 3 3
Al6 Mn1 Si2 70.01(4) . 7_556
Si4 Mn1 Si2 147.64(4) 3_554 7_556
Al4 Mn1 Si2 147.64(4) 3_554 7_556
Si4 Mn1 Si2 61.77(4) 3 7_556
Al4 Mn1 Si2 61.77(4) 3 7_556
Al1 Mn1 Si2 70.63(4) . 7_556
Si1 Mn1 Si2 127.68(2) 3 7_556
Al1 Mn1 Si2 127.68(2) 3 7_556
Al6 Mn1 Al2 70.01(4) . 7_556
Si4 Mn1 Al2 147.64(4) 3_554 7_556
Al4 Mn1 Al2 147.64(4) 3_554 7_556
Si4 Mn1 Al2 61.77(4) 3 7_556
Al4 Mn1 Al2 61.77(4) 3 7_556
Al1 Mn1 Al2 70.63(4) . 7_556
Si1 Mn1 Al2 127.68(2) 3 7_556
Al1 Mn1 Al2 127.68(2) 3 7_556
Si2 Mn1 Al2 0.0 7_556 7_556
Mn1 Al1 Mn1 138.28(11) 11 .
Mn1 Al1 Al2 136.50(2) 11 7_556
Mn1 Al1 Al2 55.73(3) . 7_556
Mn1 Al1 Al2 55.73(3) 11 .
Mn1 Al1 Al2 136.50(2) . .
Al2 Al1 Al2 87.17(5) 7_556 .
Mn1 Al1 Al2 55.73(3) 11 1_554
Mn1 Al1 Al2 136.50(2) . 1_554
Al2 Al1 Al2 153.68(10) 7_556 1_554
Al2 Al1 Al2 86.89(4) . 1_554
Mn1 Al1 Al2 136.50(2) 11 7
Mn1 Al1 Al2 55.73(3) . 7
Al2 Al1 Al2 86.89(4) 7_556 7
Al2 Al1 Al2 153.68(10) . 7
Al2 Al1 Al2 87.17(5) 1_554 7
Mn1 Al1 Al5 105.04(3) 11 1_554
Mn1 Al1 Al5 105.04(3) . 1_554
Al2 Al1 Al5 107.76(6) 7_556 1_554
Al2 Al1 Al5 107.76(6) . 1_554
Al2 Al1 Al5 50.44(3) 1_554 1_554
Al2 Al1 Al5 50.44(3) 7 1_554
Mn1 Al1 Al5 105.04(3) 11 .
Mn1 Al1 Al5 105.04(3) . .
Al2 Al1 Al5 50.44(3) 7_556 .
Al2 Al1 Al5 50.44(3) . .
Al2 Al1 Al5 107.76(6) 1_554 .
Al2 Al1 Al5 107.76(6) 7 .
Al5 Al1 Al5 86.45(8) 1_554 .
Mn1 Al1 Ho1 69.14(5) 11 .
Mn1 Al1 Ho1 69.14(5) . .
Al2 Al1 Ho1 103.16(5) 7_556 .
Al2 Al1 Ho1 103.16(5) . .
Al2 Al1 Ho1 103.16(5) 1_554 .
Al2 Al1 Ho1 103.16(5) 7 .
Al5 Al1 Ho1 136.78(4) 1_554 .
Al5 Al1 Ho1 136.78(4) . .
Al5 Al2 Al4 112.44(7) . .
Al5 Al2 Mn1 117.26(4) . 11
Al4 Al2 Mn1 55.92(3) . 11
Al5 Al2 Mn1 117.26(4) . 11_556
Al4 Al2 Mn1 55.92(3) . 11_556
Mn1 Al2 Mn1 103.45(5) 11 11_556
Al5 Al2 Si2 171.17(5) . 13
Al4 Al2 Si2 58.72(4) . 13
Mn1 Al2 Si2 58.90(3) 11 13
Mn1 Al2 Si2 58.90(3) 11_556 13
Al5 Al2 Al2 171.17(5) . 13
Al4 Al2 Al2 58.72(4) . 13
Mn1 Al2 Al2 58.90(3) 11 13
Mn1 Al2 Al2 58.90(3) 11_556 13
Si2 Al2 Al2 0.00(7) 13 13
Al5 Al2 Si6 122.89(4) . 3_656
Al4 Al2 Si6 101.86(4) . 3_656
Mn1 Al2 Si6 119.73(5) 11 3_656
Mn1 Al2 Si6 51.64(3) 11_556 3_656
Si2 Al2 Si6 62.10(3) 13 3_656
Al2 Al2 Si6 62.10(3) 13 3_656
Al5 Al2 Si6 122.89(4) . 3_655
Al4 Al2 Si6 101.86(4) . 3_655
Mn1 Al2 Si6 51.64(3) 11 3_655
Mn1 Al2 Si6 119.73(5) 11_556 3_655
Si2 Al2 Si6 62.10(3) 13 3_655
Al2 Al2 Si6 62.10(3) 13 3_655
Si6 Al2 Si6 90.65(4) 3_656 3_655
Al5 Al2 Al6 122.89(4) . 3_656
Al4 Al2 Al6 101.86(4) . 3_656
Mn1 Al2 Al6 119.73(5) 11 3_656
Mn1 Al2 Al6 51.64(3) 11_556 3_656
Si2 Al2 Al6 62.10(3) 13 3_656
Al2 Al2 Al6 62.10(3) 13 3_656
Si6 Al2 Al6 0.0 3_656 3_656
Si6 Al2 Al6 90.65(4) 3_655 3_656
Al5 Al2 Al6 122.89(4) . 3_655
Al4 Al2 Al6 101.86(4) . 3_655
Mn1 Al2 Al6 51.64(3) 11 3_655
Mn1 Al2 Al6 119.73(5) 11_556 3_655
Si2 Al2 Al6 62.10(3) 13 3_655
Al2 Al2 Al6 62.10(3) 13 3_655
Si6 Al2 Al6 90.65(4) 3_656 3_655
Si6 Al2 Al6 0.0 3_655 3_655
Al6 Al2 Al6 90.65(4) 3_656 3_655
Al5 Al3 Si5 180.0 . 9_666
Al5 Al3 Al5 180.0 . 9_666
Si5 Al3 Al5 0.00(4) 9_666 9_666
Al5 Al3 Si5 90.0 . 11_566
Si5 Al3 Si5 90.0 9_666 11_566
Al5 Al3 Si5 90.0 9_666 11_566
Al5 Al3 Si5 90.0 . 3_655
Si5 Al3 Si5 90.0 9_666 3_655
Al5 Al3 Si5 90.0 9_666 3_655
Si5 Al3 Si5 180.0 11_566 3_655
Al5 Al3 Al5 90.0 . 11_566
Si5 Al3 Al5 90.0 9_666 11_566
Al5 Al3 Al5 90.0 9_666 11_566
Si5 Al3 Al5 0.00(4) 11_566 11_566
Si5 Al3 Al5 180.0 3_655 11_566
Al5 Al3 Al5 90.0 . 3_655
Si5 Al3 Al5 90.0 9_666 3_655
Al5 Al3 Al5 90.0 9_666 3_655
Si5 Al3 Al5 180.0 11_566 3_655
Si5 Al3 Al5 0.00(4) 3_655 3_655
Al5 Al3 Al5 180.0 11_566 3_655
Al5 Al3 Ho2 124.201(2) . 9_666
Si5 Al3 Ho2 55.799(2) 9_666 9_666
Al5 Al3 Ho2 55.799(2) 9_666 9_666
Si5 Al3 Ho2 55.799(2) 11_566 9_666
Si5 Al3 Ho2 124.201(2) 3_655 9_666
Al5 Al3 Ho2 55.799(2) 11_566 9_666
Al5 Al3 Ho2 124.201(2) 3_655 9_666
Al5 Al3 Ho2 55.799(2) . 11_565
Si5 Al3 Ho2 124.201(2) 9_666 11_565
Al5 Al3 Ho2 124.201(2) 9_666 11_565
Si5 Al3 Ho2 55.799(2) 11_566 11_565
Si5 Al3 Ho2 124.201(3) 3_655 11_565
Al5 Al3 Ho2 55.799(2) 11_566 11_565
Al5 Al3 Ho2 124.201(3) 3_655 11_565
Ho2 Al3 Ho2 111.598(5) 9_666 11_565
Al5 Al3 Ho2 124.201(2) . 3_656
Si5 Al3 Ho2 55.799(2) 9_666 3_656
Al5 Al3 Ho2 55.799(2) 9_666 3_656
Si5 Al3 Ho2 124.201(2) 11_566 3_656
Si5 Al3 Ho2 55.799(2) 3_655 3_656
Al5 Al3 Ho2 124.201(2) 11_566 3_656
Al5 Al3 Ho2 55.799(2) 3_655 3_656
Ho2 Al3 Ho2 68.402(5) 9_666 3_656
Ho2 Al3 Ho2 180.0 11_565 3_656
Al5 Al3 Ho2 124.201(2) . 9_665
Si5 Al3 Ho2 55.799(2) 9_666 9_665
Al5 Al3 Ho2 55.799(2) 9_666 9_665
Si5 Al3 Ho2 55.799(2) 11_566 9_665
Si5 Al3 Ho2 124.201(2) 3_655 9_665
Al5 Al3 Ho2 55.799(2) 11_566 9_665
Al5 Al3 Ho2 124.201(2) 3_655 9_665
Ho2 Al3 Ho2 74.704(9) 9_666 9_665
Ho2 Al3 Ho2 68.402(5) 11_565 9_665
Ho2 Al3 Ho2 111.598(5) 3_656 9_665
Mn1 Al4 Mn1 114.13(8) 11_556 11
Mn1 Al4 Al2 62.31(4) 11_556 .
Mn1 Al4 Al2 62.31(4) 11 .
Mn1 Al4 Si2 62.31(4) 11_556 13
Mn1 Al4 Si2 62.31(4) 11 13
Al2 Al4 Si2 62.55(8) . 13
Mn1 Al4 Al2 62.31(4) 11_556 13
Mn1 Al4 Al2 62.31(4) 11 13
Al2 Al4 Al2 62.55(8) . 13
Si2 Al4 Al2 0.00(5) 13 13
Mn1 Al4 Si4 112.61(3) 11_556 11_556
Mn1 Al4 Si4 112.61(3) 11 11_556
Al2 Al4 Si4 166.28(4) . 11_556
Si2 Al4 Si4 103.72(4) 13 11_556
Al2 Al4 Si4 103.72(4) 13 11_556
Mn1 Al4 Al4 112.61(3) 11_556 11_556
Mn1 Al4 Al4 112.61(3) 11 11_556
Al2 Al4 Al4 166.28(4) . 11_556
Si2 Al4 Al4 103.72(4) 13 11_556
Al2 Al4 Al4 103.72(4) 13 11_556
Si4 Al4 Al4 0.00(5) 11_556 11_556
Mn1 Al4 Si4 112.61(3) 11_556 3
Mn1 Al4 Si4 112.61(3) 11 3
Al2 Al4 Si4 103.72(4) . 3
Si2 Al4 Si4 166.28(4) 13 3
Al2 Al4 Si4 166.28(4) 13 3
Si4 Al4 Si4 90.0 11_556 3
Al4 Al4 Si4 90.0 11_556 3
Mn1 Al4 Al4 112.61(3) 11_556 3
Mn1 Al4 Al4 112.61(3) 11 3
Al2 Al4 Al4 103.72(4) . 3
Si2 Al4 Al4 166.28(4) 13 3
Al2 Al4 Al4 166.28(4) 13 3
Si4 Al4 Al4 90.0 11_556 3
Al4 Al4 Al4 90.0 11_556 3
Si4 Al4 Al4 0.0 3 3
Mn1 Al4 Ho1 168.15(6) 11_556 .
Mn1 Al4 Ho1 77.72(2) 11 .
Al2 Al4 Ho1 127.022(18) . .
Si2 Al4 Ho1 127.022(18) 13 .
Al2 Al4 Ho1 127.022(18) 13 .
Si4 Al4 Ho1 60.121(15) 11_556 .
Al4 Al4 Ho1 60.121(15) 11_556 .
Si4 Al4 Ho1 60.121(15) 3 .
Al4 Al4 Ho1 60.121(15) 3 .
Mn1 Al4 Ho1 77.72(2) 11_556 1_556
Mn1 Al4 Ho1 168.15(6) 11 1_556
Al2 Al4 Ho1 127.022(18) . 1_556
Si2 Al4 Ho1 127.022(18) 13 1_556
Al2 Al4 Ho1 127.022(18) 13 1_556
Si4 Al4 Ho1 60.121(15) 11_556 1_556
Al4 Al4 Ho1 60.121(15) 11_556 1_556
Si4 Al4 Ho1 60.121(15) 3 1_556
Al4 Al4 Ho1 60.121(15) 3 1_556
Ho1 Al4 Ho1 90.42(5) . 1_556
Al2 Al5 Si2 107.67(10) . 7_556
Al2 Al5 Al2 107.67(10) . 7_556
Si2 Al5 Al2 0.000(10) 7_556 7_556
Al2 Al5 Al3 126.17(5) . .
Si2 Al5 Al3 126.17(5) 7_556 .
Al2 Al5 Al3 126.17(5) 7_556 .
Al2 Al5 Ho2 133.54(3) . 11_566
Si2 Al5 Ho2 68.48(2) 7_556 11_566
Al2 Al5 Ho2 68.48(2) 7_556 11_566
Al3 Al5 Ho2 74.16(4) . 11_566
Al2 Al5 Ho2 68.48(2) . 1_556
Si2 Al5 Ho2 133.54(3) 7_556 1_556
Al2 Al5 Ho2 133.54(3) 7_556 1_556
Al3 Al5 Ho2 74.16(4) . 1_556
Ho2 Al5 Ho2 81.66(2) 11_566 1_556
Al2 Al5 Ho2 133.54(3) . 11_565
Si2 Al5 Ho2 68.48(2) 7_556 11_565
Al2 Al5 Ho2 68.48(2) 7_556 11_565
Al3 Al5 Ho2 74.16(4) . 11_565
Ho2 Al5 Ho2 89.77(2) 11_566 11_565
Ho2 Al5 Ho2 148.32(7) 1_556 11_565
Al2 Al5 Ho2 68.48(2) . .
Si2 Al5 Ho2 133.54(3) 7_556 .
Al2 Al5 Ho2 133.54(3) 7_556 .
Al3 Al5 Ho2 74.16(4) . .
Ho2 Al5 Ho2 148.32(7) 11_566 .
Ho2 Al5 Ho2 89.77(2) 1_556 .
Ho2 Al5 Ho2 81.66(2) 11_565 .
Al2 Al5 Al1 64.53(4) . 1_556
Si2 Al5 Al1 64.53(4) 7_556 1_556
Al2 Al5 Al1 64.53(4) 7_556 1_556
Al3 Al5 Al1 136.78(4) . 1_556
Ho2 Al5 Al1 73.48(3) 11_566 1_556
Ho2 Al5 Al1 73.48(3) 1_556 1_556
Ho2 Al5 Al1 133.02(4) 11_565 1_556
Ho2 Al5 Al1 133.02(4) . 1_556
Al2 Al5 Al1 64.53(4) . .
Si2 Al5 Al1 64.53(4) 7_556 .
Al2 Al5 Al1 64.53(4) 7_556 .
Al3 Al5 Al1 136.78(4) . .
Ho2 Al5 Al1 133.02(4) 11_566 .
Ho2 Al5 Al1 133.02(4) 1_556 .
Ho2 Al5 Al1 73.48(3) 11_565 .
Ho2 Al5 Al1 73.48(3) . .
Al1 Al5 Al1 86.45(8) 1_556 .
Mn1 Al6 Mn1 180.0 . 9_565
Mn1 Al6 Si2 121.65(3) . 11_566
Mn1 Al6 Si2 58.35(3) 9_565 11_566
Mn1 Al6 Si2 58.35(3) . 3_554
Mn1 Al6 Si2 121.65(3) 9_565 3_554
Si2 Al6 Si2 180.0 11_566 3_554
Mn1 Al6 Al2 121.65(3) . 11_566
Mn1 Al6 Al2 58.35(3) 9_565 11_566
Si2 Al6 Al2 0.00(5) 11_566 11_566
Si2 Al6 Al2 180.0 3_554 11_566
Mn1 Al6 Al2 58.35(3) . 3_554
Mn1 Al6 Al2 121.65(3) 9_565 3_554
Si2 Al6 Al2 180.0 11_566 3_554
Si2 Al6 Al2 0.00(5) 3_554 3_554
Al2 Al6 Al2 180.0 11_566 3_554
Mn1 Al6 Si2 121.65(3) . 15_565
Mn1 Al6 Si2 58.35(3) 9_565 15_565
Si2 Al6 Si2 55.80(5) 11_566 15_565
Si2 Al6 Si2 124.20(5) 3_554 15_565
Al2 Al6 Si2 55.80(5) 11_566 15_565
Al2 Al6 Si2 124.20(5) 3_554 15_565
Mn1 Al6 Si2 58.35(3) . 7
Mn1 Al6 Si2 121.65(3) 9_565 7
Si2 Al6 Si2 124.20(5) 11_566 7
Si2 Al6 Si2 55.80(5) 3_554 7
Al2 Al6 Si2 124.20(5) 11_566 7
Al2 Al6 Si2 55.80(5) 3_554 7
Si2 Al6 Si2 180.0 15_565 7
Mn1 Al6 Al2 121.65(3) . 15_565
Mn1 Al6 Al2 58.35(3) 9_565 15_565
Si2 Al6 Al2 55.80(5) 11_566 15_565
Si2 Al6 Al2 124.20(5) 3_554 15_565
Al2 Al6 Al2 55.80(5) 11_566 15_565
Al2 Al6 Al2 124.20(5) 3_554 15_565
Si2 Al6 Al2 0.00(5) 15_565 15_565
Si2 Al6 Al2 180.0 7 15_565
Mn1 Al6 Al2 58.35(3) . 7
Mn1 Al6 Al2 121.65(3) 9_565 7
Si2 Al6 Al2 124.20(5) 11_566 7
Si2 Al6 Al2 55.80(5) 3_554 7
Al2 Al6 Al2 124.20(5) 11_566 7
Al2 Al6 Al2 55.80(5) 3_554 7
Si2 Al6 Al2 180.0 15_565 7
Si2 Al6 Al2 0.00(5) 7 7
Al2 Al6 Al2 180.0 15_565 7
Mn1 Al6 Si2 121.65(3) . 15_564
Mn1 Al6 Si2 58.35(3) 9_565 15_564
Si2 Al6 Si2 116.70(5) 11_566 15_564
Si2 Al6 Si2 63.30(5) 3_554 15_564
Al2 Al6 Si2 116.70(5) 11_566 15_564
Al2 Al6 Si2 63.30(5) 3_554 15_564
Si2 Al6 Si2 90.65(4) 15_565 15_564
Si2 Al6 Si2 89.35(4) 7 15_564
Al2 Al6 Si2 90.65(4) 15_565 15_564
Al2 Al6 Si2 89.35(4) 7 15_564
Mn1 Al6 Al2 121.65(3) . 15_564
Mn1 Al6 Al2 58.35(3) 9_565 15_564
Si2 Al6 Al2 116.70(5) 11_566 15_564
Si2 Al6 Al2 63.30(5) 3_554 15_564
Al2 Al6 Al2 116.70(5) 11_566 15_564
Al2 Al6 Al2 63.30(5) 3_554 15_564
Si2 Al6 Al2 90.65(4) 15_565 15_564
Si2 Al6 Al2 89.35(4) 7 15_564
Al2 Al6 Al2 90.65(4) 15_565 15_564
Al2 Al6 Al2 89.35(4) 7 15_564
Si2 Al6 Al2 0.00(7) 15_564 15_564
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 Si4 2.8586(13) 11
Ho1 Si4 2.8586(13) 3
Ho1 Si4 2.8586(13) 9
Ho1 Al4 2.8586(13) 11
Ho1 Al4 2.8586(13) 3
Ho1 Al4 2.8586(13) 9
Ho1 Si4 2.8586(13) 11_556
Ho1 Si4 2.8586(13) 3_554
Ho1 Si4 2.8586(13) 9_556
Ho1 Si4 2.8586(13) 1_554
Ho1 Al4 2.8586(13) 11_556
Ho1 Al4 2.8586(13) 3_554
Ho2 Al5 2.8748(6) .
Ho2 Si5 2.8748(6) 3_655
Ho2 Al5 2.8748(6) 3_655
Ho2 Si5 2.8748(6) 1_554
Ho2 Al5 2.8748(6) 1_554
Ho2 Si5 2.8748(6) 3_654
Ho2 Al5 2.8748(6) 3_654
Ho2 Si2 3.0495(11) 1_554
Ho2 Al2 3.0495(11) 1_554
Ho2 Si2 3.0495(11) 5_655
Ho2 Al2 3.0495(11) 5_655
Mn1 Al6 2.3804(11) .
Mn1 Si4 2.4173(12) 3_554
Mn1 Al4 2.4173(12) 3_554
Mn1 Si4 2.4173(12) 3
Mn1 Al4 2.4173(12) 3
Mn1 Al1 2.5185(10) .
Mn1 Si1 2.5185(10) 3
Mn1 Al1 2.5185(10) 3
Mn1 Si2 2.5843(10) 7_556
Mn1 Al2 2.5843(10) 7_556
Al1 Mn1 2.5185(10) 11
Al1 Al2 2.9503(12) 7_556
Al1 Al2 2.9503(12) .
Al1 Al2 2.9503(12) 1_554
Al1 Al2 2.9503(12) 7
Al1 Al5 2.962(2) 1_554
Al1 Al5 2.962(2) .
Al2 Al5 2.5196(17) .
Al2 Al4 2.571(2) .
Al2 Mn1 2.5843(9) 11
Al2 Mn1 2.5843(9) 11_556
Al2 Si2 2.670(3) 13
Al2 Al2 2.670(3) 13
Al2 Si6 2.8529(11) 3_656
Al2 Si6 2.8529(11) 3_655
Al2 Al6 2.8529(11) 3_656
Al2 Al6 2.8529(11) 3_655
Al3 Al5 2.6642(19) .
Al3 Si5 2.6643(19) 9_666
Al3 Al5 2.6643(19) 9_666
Al3 Si5 2.6643(19) 11_566
Al3 Si5 2.6643(19) 3_655
Al3 Al5 2.6643(19) 11_566
Al3 Al5 2.6643(19) 3_655
Al3 Ho2 3.3439(3) 9_666
Al3 Ho2 3.3439(3) 11_565
Al3 Ho2 3.3439(3) 3_656
Al3 Ho2 3.3439(3) 9_665
Al4 Mn1 2.4172(11) 11_556
Al4 Mn1 2.4172(11) 11
Al4 Si2 2.571(2) 13
Al4 Al2 2.571(2) 13
Al4 Si4 2.848(3) 11_556
Al4 Al4 2.848(3) 11_556
Al4 Si4 2.848(3) 3
Al4 Al4 2.848(3) 3
Al4 Ho1 2.8586(13) 1_556
Al5 Si2 2.5196(17) 7_556
Al5 Al2 2.5196(17) 7_556
Al5 Ho2 2.8748(6) 11_566
Al5 Ho2 2.8748(6) 1_556
Al5 Ho2 2.8748(6) 11_565
Al5 Al1 2.962(2) 1_556
Al6 Mn1 2.3804(11) 9_565
Al6 Si2 2.8529(11) 11_566
Al6 Si2 2.8529(11) 3_554
Al6 Al2 2.8529(11) 11_566
Al6 Al2 2.8529(11) 3_554
Al6 Si2 2.8529(11) 15_565
Al6 Si2 2.8529(11) 7
Al6 Al2 2.8529(11) 15_565
Al6 Al2 2.8529(11) 7
Al6 Si2 2.8529(10) 15_564
Al6 Al2 2.8529(10) 15_564
