#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:00:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179462 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/59/4335912.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_4335912
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            'Al15.1 Er5 Mn4 Si7.9'
_chemical_formula_weight         1685.35
_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                   11.3834(9)
_cell_length_b                   11.3834(9)
_cell_length_c                   4.0399(5)
_cell_measurement_reflns_used    4312
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.74
_cell_measurement_theta_min      1.79
_cell_volume                     523.50(9)
_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_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_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            5147
_diffrn_reflns_theta_full        29.15
_diffrn_reflns_theta_max         29.15
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    23.239
_exptl_absorpt_correction_T_max  0.7235
_exptl_absorpt_correction_T_min  0.4910
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   X-Red32
_exptl_crystal_colour            'metallic silver'
_exptl_crystal_density_diffrn    5.353
_exptl_crystal_description       plate
_exptl_crystal_F_000             749
_exptl_crystal_size_max          0.041
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.007
_refine_diff_density_max         1.240
_refine_diff_density_min         -1.847
_refine_diff_density_rms         0.312
_refine_ls_extinction_coef       0.0026(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.374
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.374
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0263
_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)+(0.0163P)²+0.8480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0421
_refine_ls_wR_factor_ref         0.0428
_reflns_number_gt                439
_reflns_number_total             470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401659y_si_001_3.cif
_cod_data_source_block           Ertetragonal
_cod_database_code               4335912
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
Er1 Er 0.0000 0.0000 0.0000 0.00554(19) Uani 1 16 d S
Er2 Er 0.5000 0.26742(3) 0.0000 0.00546(13) Uani 1 4 d S
Mn1 Mn 0.0000 0.29206(12) 0.0000 0.0040(3) Uani 1 4 d S
Al1 Al 0.20113(18) 0.20113(18) 0.0000 0.0102(5) Uani 0.66 4 d SP
Si1 Si 0.20113(18) 0.20113(18) 0.0000 0.0102(5) Uani 0.34 4 d SP
Al2 Al 0.36922(15) 0.11722(17) 0.5000 0.0075(3) Uani 0.66 2 d SP
Si2 Si 0.36922(15) 0.11722(17) 0.5000 0.0075(3) Uani 0.34 2 d SP
Al3 Al 0.5000 0.5000 0.5000 0.0102(11) Uani 0.66 16 d SP
Si3 Si 0.5000 0.5000 0.5000 0.0102(11) Uani 0.34 16 d SP
Al4 Al 0.1761(2) 0.0000 0.5000 0.0040(5) Uani 0.66 4 d SP
Si4 Si 0.1761(2) 0.0000 0.5000 0.0040(5) Uani 0.34 4 d SP
Al5 Al 0.33542(16) 0.33542(16) 0.5000 0.0030(5) Uani 0.66 4 d SP
Si5 Si 0.33542(16) 0.33542(16) 0.5000 0.0030(5) Uani 0.34 4 d SP
Al6 Al 0.0000 0.5000 0.0000 0.0057(7) Uani 0.66 8 d SP
Si6 Si 0.0000 0.5000 0.0000 0.0057(7) 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'
Er Er -0.2586 4.9576 '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 Er1 Si4 180.00(7) 11 3
Si4 Er1 Si4 59.75(4) 11 9
Si4 Er1 Si4 120.25(4) 3 9
Si4 Er1 Al4 0.00(7) 11 11
Si4 Er1 Al4 180.0 3 11
Si4 Er1 Al4 59.75(4) 9 11
Si4 Er1 Al4 180.00(7) 11 3
Si4 Er1 Al4 0.00(7) 3 3
Si4 Er1 Al4 120.25(4) 9 3
Al4 Er1 Al4 180.00(7) 11 3
Si4 Er1 Al4 59.75(4) 11 9
Si4 Er1 Al4 120.25(4) 3 9
Si4 Er1 Al4 0.00(7) 9 9
Al4 Er1 Al4 59.75(4) 11 9
Al4 Er1 Al4 120.25(4) 3 9
Si4 Er1 Si4 90.44(7) 11 11_556
Si4 Er1 Si4 89.56(7) 3 11_556
Si4 Er1 Si4 120.25(4) 9 11_556
Al4 Er1 Si4 90.44(7) 11 11_556
Al4 Er1 Si4 89.56(7) 3 11_556
Al4 Er1 Si4 120.25(4) 9 11_556
Si4 Er1 Si4 89.56(7) 11 3_554
Si4 Er1 Si4 90.44(7) 3 3_554
Si4 Er1 Si4 59.75(4) 9 3_554
Al4 Er1 Si4 89.56(7) 11 3_554
Al4 Er1 Si4 90.44(7) 3 3_554
Al4 Er1 Si4 59.75(4) 9 3_554
Si4 Er1 Si4 180.00(7) 11_556 3_554
Si4 Er1 Si4 120.25(4) 11 9_556
Si4 Er1 Si4 59.75(4) 3 9_556
Si4 Er1 Si4 90.44(7) 9 9_556
Al4 Er1 Si4 120.25(4) 11 9_556
Al4 Er1 Si4 59.75(4) 3 9_556
Al4 Er1 Si4 90.44(7) 9 9_556
Si4 Er1 Si4 59.75(4) 11_556 9_556
Si4 Er1 Si4 120.25(4) 3_554 9_556
Si4 Er1 Si4 59.75(4) 11 1_554
Si4 Er1 Si4 120.25(4) 3 1_554
Si4 Er1 Si4 89.56(7) 9 1_554
Al4 Er1 Si4 59.75(4) 11 1_554
Al4 Er1 Si4 120.25(4) 3 1_554
Al4 Er1 Si4 89.56(7) 9 1_554
Si4 Er1 Si4 120.25(4) 11_556 1_554
Si4 Er1 Si4 59.75(4) 3_554 1_554
Si4 Er1 Si4 180.00(7) 9_556 1_554
Si4 Er1 Al4 90.44(7) 11 11_556
Si4 Er1 Al4 89.56(7) 3 11_556
Si4 Er1 Al4 120.25(4) 9 11_556
Al4 Er1 Al4 90.44(7) 11 11_556
Al4 Er1 Al4 89.56(7) 3 11_556
Al4 Er1 Al4 120.25(4) 9 11_556
Si4 Er1 Al4 0.00(7) 11_556 11_556
Si4 Er1 Al4 180.00(7) 3_554 11_556
Si4 Er1 Al4 59.75(4) 9_556 11_556
Si4 Er1 Al4 120.25(4) 1_554 11_556
Si4 Er1 Al4 89.56(7) 11 3_554
Si4 Er1 Al4 90.44(7) 3 3_554
Si4 Er1 Al4 59.75(4) 9 3_554
Al4 Er1 Al4 89.56(7) 11 3_554
Al4 Er1 Al4 90.44(7) 3 3_554
Al4 Er1 Al4 59.75(4) 9 3_554
Si4 Er1 Al4 180.00(7) 11_556 3_554
Si4 Er1 Al4 0.00(7) 3_554 3_554
Si4 Er1 Al4 120.25(4) 9_556 3_554
Si4 Er1 Al4 59.75(4) 1_554 3_554
Al4 Er1 Al4 180.00(7) 11_556 3_554
Al5 Er2 Si5 81.79(7) . 3_655
Al5 Er2 Al5 81.79(7) . 3_655
Si5 Er2 Al5 0.00(7) 3_655 3_655
Al5 Er2 Si5 89.80(3) . 1_554
Si5 Er2 Si5 148.61(8) 3_655 1_554
Al5 Er2 Si5 148.61(8) 3_655 1_554
Al5 Er2 Al5 89.80(3) . 1_554
Si5 Er2 Al5 148.61(8) 3_655 1_554
Al5 Er2 Al5 148.61(8) 3_655 1_554
Si5 Er2 Al5 0.000(15) 1_554 1_554
Al5 Er2 Si5 148.61(8) . 3_654
Si5 Er2 Si5 89.80(3) 3_655 3_654
Al5 Er2 Si5 89.80(3) 3_655 3_654
Si5 Er2 Si5 81.79(7) 1_554 3_654
Al5 Er2 Si5 81.79(7) 1_554 3_654
Al5 Er2 Al5 148.61(8) . 3_654
Si5 Er2 Al5 89.80(3) 3_655 3_654
Al5 Er2 Al5 89.80(3) 3_655 3_654
Si5 Er2 Al5 81.79(7) 1_554 3_654
Al5 Er2 Al5 81.79(7) 1_554 3_654
Si5 Er2 Al5 0.00(7) 3_654 3_654
Al5 Er2 Si2 107.51(5) . 1_554
Si5 Er2 Si2 160.54(6) 3_655 1_554
Al5 Er2 Si2 160.54(6) 3_655 1_554
Si5 Er2 Si2 50.34(5) 1_554 1_554
Al5 Er2 Si2 50.34(5) 1_554 1_554
Si5 Er2 Si2 90.21(2) 3_654 1_554
Al5 Er2 Si2 90.21(2) 3_654 1_554
Al5 Er2 Al2 107.51(5) . 1_554
Si5 Er2 Al2 160.54(6) 3_655 1_554
Al5 Er2 Al2 160.54(6) 3_655 1_554
Si5 Er2 Al2 50.34(5) 1_554 1_554
Al5 Er2 Al2 50.34(5) 1_554 1_554
Si5 Er2 Al2 90.21(2) 3_654 1_554
Al5 Er2 Al2 90.21(2) 3_654 1_554
Si2 Er2 Al2 0.00(8) 1_554 1_554
Al5 Er2 Al2 50.34(5) . .
Si5 Er2 Al2 90.21(2) 3_655 .
Al5 Er2 Al2 90.21(2) 3_655 .
Si5 Er2 Al2 107.51(5) 1_554 .
Al5 Er2 Al2 107.51(5) 1_554 .
Si5 Er2 Al2 160.54(6) 3_654 .
Al5 Er2 Al2 160.54(6) 3_654 .
Si2 Er2 Al2 83.40(5) 1_554 .
Al2 Er2 Al2 83.40(5) 1_554 .
Al6 Mn1 Si4 123.16(6) . 3_554
Al6 Mn1 Al4 123.16(6) . 3_554
Si4 Mn1 Al4 0.00(10) 3_554 3_554
Al6 Mn1 Si4 123.16(6) . 3
Si4 Mn1 Si4 113.67(11) 3_554 3
Al4 Mn1 Si4 113.67(11) 3_554 3
Al6 Mn1 Al4 123.16(6) . 3
Si4 Mn1 Al4 113.67(11) 3_554 3
Al4 Mn1 Al4 113.67(11) 3_554 3
Si4 Mn1 Al4 0.00(10) 3 3
Al6 Mn1 Al1 114.33(7) . 3
Si4 Mn1 Al1 76.98(4) 3_554 3
Al4 Mn1 Al1 76.98(4) 3_554 3
Si4 Mn1 Al1 76.98(4) 3 3
Al4 Mn1 Al1 76.98(4) 3 3
Al6 Mn1 Si1 114.33(7) . 3
Si4 Mn1 Si1 76.98(4) 3_554 3
Al4 Mn1 Si1 76.98(4) 3_554 3
Si4 Mn1 Si1 76.98(4) 3 3
Al4 Mn1 Si1 76.98(4) 3 3
Al1 Mn1 Si1 0.00(5) 3 3
Al6 Mn1 Al1 114.33(7) . .
Si4 Mn1 Al1 76.98(4) 3_554 .
Al4 Mn1 Al1 76.98(4) 3_554 .
Si4 Mn1 Al1 76.98(4) 3 .
Al4 Mn1 Al1 76.98(4) 3 .
Al1 Mn1 Al1 131.34(13) 3 .
Si1 Mn1 Al1 131.34(13) 3 .
Al6 Mn1 Si2 70.06(5) . 7_556
Si4 Mn1 Si2 147.47(4) 3_554 7_556
Al4 Mn1 Si2 147.47(4) 3_554 7_556
Si4 Mn1 Si2 61.96(5) 3 7_556
Al4 Mn1 Si2 61.96(5) 3 7_556
Al1 Mn1 Si2 127.78(3) 3 7_556
Si1 Mn1 Si2 127.78(3) 3 7_556
Al1 Mn1 Si2 70.63(5) . 7_556
Al6 Mn1 Al2 70.06(5) . 7_556
Si4 Mn1 Al2 147.47(4) 3_554 7_556
Al4 Mn1 Al2 147.47(4) 3_554 7_556
Si4 Mn1 Al2 61.96(5) 3 7_556
Al4 Mn1 Al2 61.96(5) 3 7_556
Al1 Mn1 Al2 127.78(3) 3 7_556
Si1 Mn1 Al2 127.78(3) 3 7_556
Al1 Mn1 Al2 70.63(5) . 7_556
Si2 Mn1 Al2 0.00(7) 7_556 7_556
Mn1 Al1 Mn1 138.66(13) 11 .
Mn1 Al1 Al2 136.59(3) 11 7_556
Mn1 Al1 Al2 55.68(4) . 7_556
Mn1 Al1 Al2 136.59(3) 11 7
Mn1 Al1 Al2 55.68(4) . 7
Al2 Al1 Al2 86.73(5) 7_556 7
Mn1 Al1 Al2 55.68(4) 11 1_554
Mn1 Al1 Al2 136.59(3) . 1_554
Al2 Al1 Al2 153.36(13) 7_556 1_554
Al2 Al1 Al2 87.18(6) 7 1_554
Mn1 Al1 Al2 55.68(4) 11 .
Mn1 Al1 Al2 136.59(3) . .
Al2 Al1 Al2 87.18(6) 7_556 .
Al2 Al1 Al2 153.36(13) 7 .
Al2 Al1 Al2 86.73(5) 1_554 .
Mn1 Al1 Al5 104.95(4) 11 1_554
Mn1 Al1 Al5 104.95(4) . 1_554
Al2 Al1 Al5 107.49(8) 7_556 1_554
Al2 Al1 Al5 50.42(5) 7 1_554
Al2 Al1 Al5 50.42(5) 1_554 1_554
Al2 Al1 Al5 107.49(8) . 1_554
Mn1 Al1 Al5 104.95(4) 11 .
Mn1 Al1 Al5 104.95(4) . .
Al2 Al1 Al5 50.42(5) 7_556 .
Al2 Al1 Al5 107.49(8) 7 .
Al2 Al1 Al5 107.49(8) 1_554 .
Al2 Al1 Al5 50.42(5) . .
Al5 Al1 Al5 86.11(10) 1_554 .
Mn1 Al1 Er1 69.33(7) 11 .
Mn1 Al1 Er1 69.33(7) . .
Al2 Al1 Er1 103.32(6) 7_556 .
Al2 Al1 Er1 103.32(6) 7 .
Al2 Al1 Er1 103.32(6) 1_554 .
Al2 Al1 Er1 103.32(6) . .
Al5 Al1 Er1 136.94(5) 1_554 .
Al5 Al1 Er1 136.94(5) . .
Al5 Al2 Al4 112.45(8) . .
Al5 Al2 Mn1 117.38(5) . 11
Al4 Al2 Mn1 55.92(4) . 11
Al5 Al2 Mn1 117.38(5) . 11_556
Al4 Al2 Mn1 55.92(4) . 11_556
Mn1 Al2 Mn1 103.32(7) 11 11_556
Al5 Al2 Si2 171.19(6) . 13
Al4 Al2 Si2 58.74(5) . 13
Mn1 Al2 Si2 58.79(4) 11 13
Mn1 Al2 Si2 58.79(4) 11_556 13
Al5 Al2 Al2 171.19(6) . 13
Al4 Al2 Al2 58.74(5) . 13
Mn1 Al2 Al2 58.79(4) 11 13
Mn1 Al2 Al2 58.79(4) 11_556 13
Si2 Al2 Al2 0.0 13 13
Al5 Al2 Si6 122.97(5) . 3_656
Al4 Al2 Si6 101.78(5) . 3_656
Mn1 Al2 Si6 119.53(7) 11 3_656
Mn1 Al2 Si6 51.53(3) 11_556 3_656
Si2 Al2 Si6 62.00(3) 13 3_656
Al2 Al2 Si6 62.00(3) 13 3_656
Al5 Al2 Si6 122.97(5) . 3_655
Al4 Al2 Si6 101.78(5) . 3_655
Mn1 Al2 Si6 51.53(3) 11 3_655
Mn1 Al2 Si6 119.53(7) 11_556 3_655
Si2 Al2 Si6 62.00(3) 13 3_655
Al2 Al2 Si6 62.00(3) 13 3_655
Si6 Al2 Si6 90.59(5) 3_656 3_655
Al5 Al2 Al6 122.97(5) . 3_656
Al4 Al2 Al6 101.78(5) . 3_656
Mn1 Al2 Al6 119.53(7) 11 3_656
Mn1 Al2 Al6 51.53(3) 11_556 3_656
Si2 Al2 Al6 62.00(3) 13 3_656
Al2 Al2 Al6 62.00(3) 13 3_656
Si6 Al2 Al6 0.0 3_656 3_656
Si6 Al2 Al6 90.59(5) 3_655 3_656
Al5 Al2 Al6 122.97(5) . 3_655
Al4 Al2 Al6 101.78(5) . 3_655
Mn1 Al2 Al6 51.53(3) 11 3_655
Mn1 Al2 Al6 119.53(7) 11_556 3_655
Si2 Al2 Al6 62.00(3) 13 3_655
Al2 Al2 Al6 62.00(3) 13 3_655
Si6 Al2 Al6 90.59(5) 3_656 3_655
Si6 Al2 Al6 0.0 3_655 3_655
Al6 Al2 Al6 90.59(5) 3_656 3_655
Al5 Al3 Si5 180.0 . 9_666
Al5 Al3 Al5 180.0 . 9_666
Si5 Al3 Al5 0.00(5) 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(5) 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(5) 3_655 3_655
Al5 Al3 Al5 180.0 11_566 3_655
Al5 Al3 Er2 124.206(3) . 9_666
Si5 Al3 Er2 55.794(3) 9_666 9_666
Al5 Al3 Er2 55.794(3) 9_666 9_666
Si5 Al3 Er2 55.794(3) 11_566 9_666
Si5 Al3 Er2 124.206(3) 3_655 9_666
Al5 Al3 Er2 55.794(3) 11_566 9_666
Al5 Al3 Er2 124.206(3) 3_655 9_666
Al5 Al3 Er2 55.794(3) . 11_565
Si5 Al3 Er2 124.206(3) 9_666 11_565
Al5 Al3 Er2 124.206(3) 9_666 11_565
Si5 Al3 Er2 55.794(3) 11_566 11_565
Si5 Al3 Er2 124.206(3) 3_655 11_565
Al5 Al3 Er2 55.794(3) 11_566 11_565
Al5 Al3 Er2 124.206(3) 3_655 11_565
Er2 Al3 Er2 111.587(6) 9_666 11_565
Al5 Al3 Er2 124.206(3) . 3_656
Si5 Al3 Er2 55.794(3) 9_666 3_656
Al5 Al3 Er2 55.794(3) 9_666 3_656
Si5 Al3 Er2 124.206(3) 11_566 3_656
Si5 Al3 Er2 55.794(3) 3_655 3_656
Al5 Al3 Er2 124.206(3) 11_566 3_656
Al5 Al3 Er2 55.794(3) 3_655 3_656
Er2 Al3 Er2 68.413(6) 9_666 3_656
Er2 Al3 Er2 180.0 11_565 3_656
Al5 Al3 Er2 124.206(3) . 9_665
Si5 Al3 Er2 55.794(3) 9_666 9_665
Al5 Al3 Er2 55.794(3) 9_666 9_665
Si5 Al3 Er2 55.794(3) 11_566 9_665
Si5 Al3 Er2 124.206(3) 3_655 9_665
Al5 Al3 Er2 55.794(3) 11_566 9_665
Al5 Al3 Er2 124.206(3) 3_655 9_665
Er2 Al3 Er2 74.683(11) 9_666 9_665
Er2 Al3 Er2 68.413(6) 11_565 9_665
Er2 Al3 Er2 111.587(6) 3_656 9_665
Mn1 Al4 Mn1 113.67(11) 11_556 11
Mn1 Al4 Si2 62.12(6) 11_556 13
Mn1 Al4 Si2 62.12(6) 11 13
Mn1 Al4 Al2 62.12(6) 11_556 13
Mn1 Al4 Al2 62.12(6) 11 13
Si2 Al4 Al2 0.00(7) 13 13
Mn1 Al4 Al2 62.12(6) 11_556 .
Mn1 Al4 Al2 62.12(6) 11 .
Si2 Al4 Al2 62.52(10) 13 .
Al2 Al4 Al2 62.52(10) 13 .
Mn1 Al4 Si4 112.76(4) 11_556 11_556
Mn1 Al4 Si4 112.76(4) 11 11_556
Si2 Al4 Si4 103.74(5) 13 11_556
Al2 Al4 Si4 103.74(5) 13 11_556
Al2 Al4 Si4 166.26(5) . 11_556
Mn1 Al4 Al4 112.76(4) 11_556 11_556
Mn1 Al4 Al4 112.76(4) 11 11_556
Si2 Al4 Al4 103.74(5) 13 11_556
Al2 Al4 Al4 103.74(5) 13 11_556
Al2 Al4 Al4 166.26(5) . 11_556
Si4 Al4 Al4 0.00(7) 11_556 11_556
Mn1 Al4 Si4 112.76(4) 11_556 3
Mn1 Al4 Si4 112.76(4) 11 3
Si2 Al4 Si4 166.26(5) 13 3
Al2 Al4 Si4 166.26(5) 13 3
Al2 Al4 Si4 103.74(5) . 3
Si4 Al4 Si4 90.0 11_556 3
Al4 Al4 Si4 90.0 11_556 3
Mn1 Al4 Al4 112.76(4) 11_556 3
Mn1 Al4 Al4 112.76(4) 11 3
Si2 Al4 Al4 166.26(5) 13 3
Al2 Al4 Al4 166.26(5) 13 3
Al2 Al4 Al4 103.74(5) . 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 Er1 168.38(9) 11_556 .
Mn1 Al4 Er1 77.95(3) 11 .
Si2 Al4 Er1 127.02(2) 13 .
Al2 Al4 Er1 127.02(2) 13 .
Al2 Al4 Er1 127.02(2) . .
Si4 Al4 Er1 60.13(2) 11_556 .
Al4 Al4 Er1 60.13(2) 11_556 .
Si4 Al4 Er1 60.13(2) 3 .
Al4 Al4 Er1 60.13(2) 3 .
Mn1 Al4 Er1 77.95(3) 11_556 1_556
Mn1 Al4 Er1 168.38(9) 11 1_556
Si2 Al4 Er1 127.02(2) 13 1_556
Al2 Al4 Er1 127.02(2) 13 1_556
Al2 Al4 Er1 127.02(2) . 1_556
Si4 Al4 Er1 60.13(2) 11_556 1_556
Al4 Al4 Er1 60.13(2) 11_556 1_556
Si4 Al4 Er1 60.13(2) 3 1_556
Al4 Al4 Er1 60.13(2) 3 1_556
Er1 Al4 Er1 90.44(7) . 1_556
Si2 Al5 Al2 0.000(13) 7_556 7_556
Si2 Al5 Al2 107.61(12) 7_556 .
Al2 Al5 Al2 107.61(12) 7_556 .
Si2 Al5 Al3 126.20(6) 7_556 .
Al2 Al5 Al3 126.20(6) 7_556 .
Al2 Al5 Al3 126.19(6) . .
Si2 Al5 Er2 68.44(3) 7_556 11_566
Al2 Al5 Er2 68.44(3) 7_556 11_566
Al2 Al5 Er2 133.50(4) . 11_566
Al3 Al5 Er2 74.24(5) . 11_566
Si2 Al5 Er2 133.50(4) 7_556 1_556
Al2 Al5 Er2 133.50(4) 7_556 1_556
Al2 Al5 Er2 68.44(3) . 1_556
Al3 Al5 Er2 74.24(5) . 1_556
Er2 Al5 Er2 81.72(3) 11_566 1_556
Si2 Al5 Er2 68.44(3) 7_556 11_565
Al2 Al5 Er2 68.44(3) 7_556 11_565
Al2 Al5 Er2 133.50(4) . 11_565
Al3 Al5 Er2 74.24(5) . 11_565
Er2 Al5 Er2 89.80(3) 11_566 11_565
Er2 Al5 Er2 148.48(10) 1_556 11_565
Si2 Al5 Er2 133.50(4) 7_556 .
Al2 Al5 Er2 133.50(4) 7_556 .
Al2 Al5 Er2 68.44(3) . .
Al3 Al5 Er2 74.24(5) . .
Er2 Al5 Er2 148.48(10) 11_566 .
Er2 Al5 Er2 89.80(3) 1_556 .
Er2 Al5 Er2 81.72(3) 11_565 .
Si2 Al5 Al1 64.44(5) 7_556 .
Al2 Al5 Al1 64.44(5) 7_556 .
Al2 Al5 Al1 64.44(5) . .
Al3 Al5 Al1 136.94(5) . .
Er2 Al5 Al1 132.87(5) 11_566 .
Er2 Al5 Al1 132.87(5) 1_556 .
Er2 Al5 Al1 73.54(3) 11_565 .
Er2 Al5 Al1 73.54(3) . .
Si2 Al5 Al1 64.44(5) 7_556 1_556
Al2 Al5 Al1 64.44(5) 7_556 1_556
Al2 Al5 Al1 64.44(5) . 1_556
Al3 Al5 Al1 136.94(5) . 1_556
Er2 Al5 Al1 73.54(3) 11_566 1_556
Er2 Al5 Al1 73.54(3) 1_556 1_556
Er2 Al5 Al1 132.87(5) 11_565 1_556
Er2 Al5 Al1 132.87(5) . 1_556
Al1 Al5 Al1 86.11(10) . 1_556
Mn1 Al6 Mn1 180.0 9_565 .
Mn1 Al6 Si2 58.41(3) 9_565 11_566
Mn1 Al6 Si2 121.59(3) . 11_566
Mn1 Al6 Si2 121.59(3) 9_565 3_554
Mn1 Al6 Si2 58.41(3) . 3_554
Si2 Al6 Si2 180.0 11_566 3_554
Mn1 Al6 Al2 58.41(3) 9_565 11_566
Mn1 Al6 Al2 121.59(3) . 11_566
Si2 Al6 Al2 0.00(6) 11_566 11_566
Si2 Al6 Al2 180.0 3_554 11_566
Mn1 Al6 Al2 121.59(3) 9_565 3_554
Mn1 Al6 Al2 58.41(3) . 3_554
Si2 Al6 Al2 180.0 11_566 3_554
Si2 Al6 Al2 0.00(7) 3_554 3_554
Al2 Al6 Al2 180.0 11_566 3_554
Mn1 Al6 Si2 58.41(3) 9_565 15_565
Mn1 Al6 Si2 121.59(3) . 15_565
Si2 Al6 Si2 56.01(7) 11_566 15_565
Si2 Al6 Si2 123.99(7) 3_554 15_565
Al2 Al6 Si2 56.01(7) 11_566 15_565
Al2 Al6 Si2 123.99(7) 3_554 15_565
Mn1 Al6 Si2 121.59(3) 9_565 7
Mn1 Al6 Si2 58.41(3) . 7
Si2 Al6 Si2 123.99(7) 11_566 7
Si2 Al6 Si2 56.01(7) 3_554 7
Al2 Al6 Si2 123.99(7) 11_566 7
Al2 Al6 Si2 56.01(7) 3_554 7
Si2 Al6 Si2 180.0 15_565 7
Mn1 Al6 Al2 58.41(3) 9_565 15_565
Mn1 Al6 Al2 121.59(3) . 15_565
Si2 Al6 Al2 56.01(7) 11_566 15_565
Si2 Al6 Al2 123.99(7) 3_554 15_565
Al2 Al6 Al2 56.01(7) 11_566 15_565
Al2 Al6 Al2 123.99(7) 3_554 15_565
Si2 Al6 Al2 0.00(7) 15_565 15_565
Si2 Al6 Al2 180.0 7 15_565
Mn1 Al6 Al2 121.59(3) 9_565 7
Mn1 Al6 Al2 58.41(3) . 7
Si2 Al6 Al2 123.99(7) 11_566 7
Si2 Al6 Al2 56.01(7) 3_554 7
Al2 Al6 Al2 123.99(7) 11_566 7
Al2 Al6 Al2 56.01(7) 3_554 7
Si2 Al6 Al2 180.0 15_565 7
Si2 Al6 Al2 0.00(6) 7 7
Al2 Al6 Al2 180.0 15_565 7
Mn1 Al6 Si2 58.41(3) 9_565 15_564
Mn1 Al6 Si2 121.59(3) . 15_564
Si2 Al6 Si2 116.82(6) 11_566 15_564
Si2 Al6 Si2 63.18(6) 3_554 15_564
Al2 Al6 Si2 116.82(6) 11_566 15_564
Al2 Al6 Si2 63.18(6) 3_554 15_564
Si2 Al6 Si2 90.59(5) 15_565 15_564
Si2 Al6 Si2 89.41(5) 7 15_564
Al2 Al6 Si2 90.59(5) 15_565 15_564
Al2 Al6 Si2 89.41(5) 7 15_564
Mn1 Al6 Al2 58.41(3) 9_565 15_564
Mn1 Al6 Al2 121.59(3) . 15_564
Si2 Al6 Al2 116.82(6) 11_566 15_564
Si2 Al6 Al2 63.18(6) 3_554 15_564
Al2 Al6 Al2 116.82(6) 11_566 15_564
Al2 Al6 Al2 63.18(6) 3_554 15_564
Si2 Al6 Al2 90.59(5) 15_565 15_564
Si2 Al6 Al2 89.41(5) 7 15_564
Al2 Al6 Al2 90.59(5) 15_565 15_564
Al2 Al6 Al2 89.41(5) 7 15_564
Si2 Al6 Al2 0.00(9) 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
Er1 Si4 2.8458(17) 11
Er1 Si4 2.8458(17) 3
Er1 Si4 2.8458(17) 9
Er1 Al4 2.8458(17) 11
Er1 Al4 2.8458(17) 3
Er1 Al4 2.8458(17) 9
Er1 Si4 2.8458(17) 11_556
Er1 Si4 2.8458(17) 3_554
Er1 Si4 2.8458(17) 9_556
Er1 Si4 2.8458(17) 1_554
Er1 Al4 2.8458(17) 11_556
Er1 Al4 2.8458(17) 3_554
Er2 Al5 2.8617(7) .
Er2 Si5 2.8617(7) 3_655
Er2 Al5 2.8617(7) 3_655
Er2 Si5 2.8617(7) 1_554
Er2 Al5 2.8617(7) 1_554
Er2 Si5 2.8617(7) 3_654
Er2 Al5 2.8617(7) 3_654
Er2 Si2 3.0364(14) 1_554
Er2 Al2 3.0364(14) 1_554
Er2 Al2 3.0364(14) .
Mn1 Al6 2.3671(14) .
Mn1 Si4 2.4130(15) 3_554
Mn1 Al4 2.4130(15) 3_554
Mn1 Si4 2.4130(15) 3
Mn1 Al4 2.4130(15) 3
Mn1 Al1 2.5126(12) 3
Mn1 Si1 2.5126(12) 3
Mn1 Al1 2.5127(12) .
Mn1 Si2 2.5753(13) 7_556
Mn1 Al2 2.5753(13) 7_556
Al1 Mn1 2.5127(12) 11
Al1 Al2 2.9417(14) 7_556
Al1 Al2 2.9417(14) 7
Al1 Al2 2.9417(14) 1_554
Al1 Al2 2.9417(14) .
Al1 Al5 2.959(3) 1_554
Al1 Al5 2.959(3) .
Al2 Al5 2.513(2) .
Al2 Al4 2.572(3) .
Al2 Mn1 2.5753(13) 11
Al2 Mn1 2.5753(13) 11_556
Al2 Si2 2.669(4) 13
Al2 Al2 2.669(4) 13
Al2 Si6 2.8420(13) 3_656
Al2 Si6 2.8420(13) 3_655
Al2 Al6 2.8420(13) 3_656
Al2 Al6 2.8420(13) 3_655
Al3 Al5 2.650(3) .
Al3 Si5 2.650(3) 9_666
Al3 Al5 2.650(3) 9_666
Al3 Si5 2.650(3) 11_566
Al3 Si5 2.650(3) 3_655
Al3 Al5 2.650(3) 11_566
Al3 Al5 2.650(3) 3_655
Al3 Er2 3.3301(4) 9_666
Al3 Er2 3.3301(4) 11_565
Al3 Er2 3.3301(4) 3_656
Al3 Er2 3.3301(4) 9_665
Al4 Mn1 2.4130(15) 11_556
Al4 Mn1 2.4130(15) 11
Al4 Si2 2.572(3) 13
Al4 Al2 2.572(3) 13
Al4 Si4 2.835(3) 11_556
Al4 Al4 2.835(3) 11_556
Al4 Si4 2.835(3) 3
Al4 Al4 2.835(3) 3
Al4 Er1 2.8459(17) 1_556
Al5 Si2 2.513(2) 7_556
Al5 Al2 2.513(2) 7_556
Al5 Er2 2.8617(7) 11_566
Al5 Er2 2.8617(7) 1_556
Al5 Er2 2.8617(7) 11_565
Al5 Al1 2.959(3) 1_556
Al6 Mn1 2.3671(14) 9_565
Al6 Si2 2.8421(13) 11_566
Al6 Si2 2.8421(13) 3_554
Al6 Al2 2.8421(13) 11_566
Al6 Al2 2.8421(13) 3_554
Al6 Si2 2.8421(13) 15_565
Al6 Si2 2.8421(13) 7
Al6 Al2 2.8421(13) 15_565
Al6 Al2 2.8421(13) 7
Al6 Si2 2.8421(13) 15_564
Al6 Al2 2.8421(13) 15_564
