#------------------------------------------------------------------------------
#$Date: 2025-07-05 13:10:14 +0300 (Sat, 05 Jul 2025) $
#$Revision: 300370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/47/1564724.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_1564724
loop_
_publ_author_name
'Hu, Qifa'
'Wen, Bin'
'Fan, Changzeng'
_publ_section_title
;
 Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al--Mn--Ni system
;
_journal_coeditor_code           WM4153
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x210981
_journal_paper_doi               10.1107/S2414314621009810
_journal_volume                  6
_journal_year                    2021
_chemical_formula_iupac          'Al20 Mn5.37 Ni1.31'
_chemical_formula_sum            'Al20 Mn5.37 Ni1.31'
_chemical_formula_weight         911.74
_chemical_name_systematic
;
Icosaaluminium pentamanganese nickel
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.6009(3)
_cell_length_b                   7.6009(3)
_cell_length_c                   7.8187(5)
_cell_measurement_reflns_used    5904
_cell_measurement_temperature    296
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      3.09
_cell_volume                     391.20(3)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2017)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0101
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14281
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.525
_diffrn_reflns_theta_min         3.095
_exptl_absorpt_coefficient_mu    6.850
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    3.870
_exptl_crystal_description       fragment
_exptl_crystal_F_000             431
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     21
_refine_ls_number_reflns         260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0176
_refine_ls_R_factor_gt           0.0159
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0158P)²+0.1412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0330
_refine_ls_wR_factor_ref         0.0333
_reflns_number_gt                246
_reflns_number_total             260
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            wm4153sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        391.20(4)
_cod_database_code               1564724
_cod_database_fobs_code          1564724
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn Mn1 0.12191(3) 0.24382(5) 0.250000 0.00549(12) Uani d 0.895(14) . .
Ni Ni1 0.12191(3) 0.24382(5) 0.250000 0.00549(12) Uani d 0.105(14) . .
Al Al1 0.000000 0.000000 0.000000 0.0062(3) Uani d 1 . .
Al Al2 0.45923(6) 0.91845(12) 0.250000 0.00770(19) Uani d 1 . .
Al Al3 0.19943(4) 0.39887(8) 0.93807(7) 0.00821(16) Uani d 1 . .
Ni Ni2 0.666667 0.333333 0.250000 0.0046(4) Uani d 0.342(2) . .
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Al2 Mn1 Al2 2_665 3_565 72.58(4) ?
Al2 Mn1 Al1 2_665 . 120.763(8) ?
Al2 Mn1 Al1 3_565 . 120.763(8) ?
Al2 Mn1 Al1 2_665 4 120.763(9) ?
Al2 Mn1 Al1 3_565 4 120.763(8) ?
Al1 Mn1 Al1 . 4 101.222(13) ?
Al2 Mn1 Al3 2_665 16_557 71.871(12) ?
Al2 Mn1 Al3 3_565 16_557 71.871(12) ?
Al1 Mn1 Al3 . 16_557 163.319(18) ?
Al1 Mn1 Al3 4 16_557 62.097(12) ?
Al2 Mn1 Al3 2_665 1_554 71.871(12) ?
Al2 Mn1 Al3 3_565 1_554 71.871(12) ?
Al1 Mn1 Al3 . 1_554 62.097(12) ?
Al1 Mn1 Al3 4 1_554 163.319(18) ?
Al3 Mn1 Al3 16_557 1_554 134.58(3) ?
Al2 Mn1 Al3 2_665 15_556 65.942(17) ?
Al2 Mn1 Al3 3_565 15_556 125.493(18) ?
Al1 Mn1 Al3 . 15_556 60.965(11) ?
Al1 Mn1 Al3 4 15_556 110.438(11) ?
Al3 Mn1 Al3 16_557 15_556 122.648(12) ?
Al3 Mn1 Al3 1_554 15_556 62.829(9) ?
Al2 Mn1 Al3 2_665 6_554 65.942(17) ?
Al2 Mn1 Al3 3_565 6_554 125.493(18) ?
Al1 Mn1 Al3 . 6_554 110.438(11) ?
Al1 Mn1 Al3 4 6_554 60.965(11) ?
Al3 Mn1 Al3 16_557 6_554 62.829(9) ?
Al3 Mn1 Al3 1_554 6_554 122.648(12) ?
Al3 Mn1 Al3 15_556 6_554 65.35(2) ?
Al2 Mn1 Al3 2_665 5_554 125.493(18) ?
Al2 Mn1 Al3 3_565 5_554 65.942(17) ?
Al1 Mn1 Al3 . 5_554 110.438(11) ?
Al1 Mn1 Al3 4 5_554 60.965(11) ?
Al3 Mn1 Al3 16_557 5_554 62.829(9) ?
Al3 Mn1 Al3 1_554 5_554 122.648(12) ?
Al3 Mn1 Al3 15_556 5_554 167.68(2) ?
Al3 Mn1 Al3 6_554 5_554 113.20(2) ?
Al2 Mn1 Al3 2_665 14_556 125.493(18) ?
Al2 Mn1 Al3 3_565 14_556 65.942(17) ?
Al1 Mn1 Al3 . 14_556 60.965(11) ?
Al1 Mn1 Al3 4 14_556 110.438(11) ?
Al3 Mn1 Al3 16_557 14_556 122.647(12) ?
Al3 Mn1 Al3 1_554 14_556 62.829(9) ?
Al3 Mn1 Al3 15_556 14_556 113.20(2) ?
Al3 Mn1 Al3 6_554 14_556 167.68(2) ?
Al3 Mn1 Al3 5_554 14_556 65.35(2) ?
Al2 Mn1 Mn1 2_665 2 113.710(19) ?
Al2 Mn1 Mn1 3_565 2 173.710(19) ?
Al1 Mn1 Mn1 . 2 56.663(5) ?
Al1 Mn1 Mn1 4 2 56.663(5) ?
Al3 Mn1 Mn1 16_557 2 109.531(12) ?
Al3 Mn1 Mn1 1_554 2 109.531(12) ?
Al3 Mn1 Mn1 15_556 2 59.314(9) ?
Al3 Mn1 Mn1 6_554 2 59.314(9) ?
Al3 Mn1 Mn1 5_554 2 108.937(11) ?
Al3 Mn1 Mn1 14_556 2 108.937(11) ?
Al2 Mn1 Mn1 2_665 3 173.710(19) ?
Al2 Mn1 Mn1 3_565 3 113.710(19) ?
Al1 Mn1 Mn1 . 3 56.663(5) ?
Al1 Mn1 Mn1 4 3 56.663(5) ?
Al3 Mn1 Mn1 16_557 3 109.531(12) ?
Al3 Mn1 Mn1 1_554 3 109.531(12) ?
Al3 Mn1 Mn1 15_556 3 108.937(11) ?
Al3 Mn1 Mn1 6_554 3 108.937(11) ?
Al3 Mn1 Mn1 5_554 3 59.314(9) ?
Al3 Mn1 Mn1 14_556 3 59.314(9) ?
Mn1 Mn1 Mn1 2 3 60.0 ?
Mn1 Al1 Mn1 . 13 180.0 ?
Mn1 Al1 Mn1 . 15 113.326(11) ?
Mn1 Al1 Mn1 13 15 66.674(10) ?
Mn1 Al1 Mn1 . 3 66.674(10) ?
Mn1 Al1 Mn1 13 3 113.326(10) ?
Mn1 Al1 Mn1 15 3 180.0 ?
Mn1 Al1 Mn1 . 2 66.674(11) ?
Mn1 Al1 Mn1 13 2 113.326(11) ?
Mn1 Al1 Mn1 15 2 113.326(10) ?
Mn1 Al1 Mn1 3 2 66.674(10) ?
Mn1 Al1 Mn1 . 14 113.326(11) ?
Mn1 Al1 Mn1 13 14 66.674(11) ?
Mn1 Al1 Mn1 15 14 66.674(10) ?
Mn1 Al1 Mn1 3 14 113.326(10) ?
Mn1 Al1 Mn1 2 14 180.000(15) ?
Mn1 Al1 Al3 . 14_556 63.116(9) ?
Mn1 Al1 Al3 13 14_556 116.885(9) ?
Mn1 Al1 Al3 15 14_556 116.884(9) ?
Mn1 Al1 Al3 3 14_556 63.116(9) ?
Mn1 Al1 Al3 2 14_556 118.940(13) ?
Mn1 Al1 Al3 14 14_556 61.060(13) ?
Mn1 Al1 Al3 . 2_554 116.884(9) ?
Mn1 Al1 Al3 13 2_554 63.115(9) ?
Mn1 Al1 Al3 15 2_554 63.116(9) ?
Mn1 Al1 Al3 3 2_554 116.884(9) ?
Mn1 Al1 Al3 2 2_554 61.060(13) ?
Mn1 Al1 Al3 14 2_554 118.940(13) ?
Al3 Al1 Al3 14_556 2_554 180.0 ?
Mn1 Al1 Al3 . 1_554 61.060(13) ?
Mn1 Al1 Al3 13 1_554 118.940(13) ?
Mn1 Al1 Al3 15 1_554 63.115(9) ?
Mn1 Al1 Al3 3 1_554 116.885(9) ?
Mn1 Al1 Al3 2 1_554 116.884(9) ?
Mn1 Al1 Al3 14 1_554 63.116(9) ?
Al3 Al1 Al3 14_556 1_554 63.214(7) ?
Al3 Al1 Al3 2_554 1_554 116.786(7) ?
Mn1 Al1 Al3 . 13_556 118.940(13) ?
Mn1 Al1 Al3 13 13_556 61.060(13) ?
Mn1 Al1 Al3 15 13_556 116.885(9) ?
Mn1 Al1 Al3 3 13_556 63.115(9) ?
Mn1 Al1 Al3 2 13_556 63.116(9) ?
Mn1 Al1 Al3 14 13_556 116.884(9) ?
Al3 Al1 Al3 14_556 13_556 116.786(7) ?
Al3 Al1 Al3 2_554 13_556 63.214(7) ?
Al3 Al1 Al3 1_554 13_556 180.000(14) ?
Mn1 Al1 Al3 . 15_556 63.116(9) ?
Mn1 Al1 Al3 13 15_556 116.884(9) ?
Mn1 Al1 Al3 15 15_556 61.060(13) ?
Mn1 Al1 Al3 3 15_556 118.940(13) ?
Mn1 Al1 Al3 2 15_556 63.115(9) ?
Mn1 Al1 Al3 14 15_556 116.885(9) ?
Al3 Al1 Al3 14_556 15_556 116.786(7) ?
Al3 Al1 Al3 2_554 15_556 63.214(7) ?
Al3 Al1 Al3 1_554 15_556 63.214(7) ?
Al3 Al1 Al3 13_556 15_556 116.786(7) ?
Mn1 Al2 Mn1 3_565 2_665 167.42(4) ?
Mn1 Al2 Ni2 3_565 1_565 96.289(19) ?
Mn1 Al2 Ni2 2_665 1_565 96.290(19) ?
Mn1 Al2 Al3 3_565 5_564 62.135(13) ?
Mn1 Al2 Al3 2_665 5_564 127.69(2) ?
Ni2 Al2 Al3 1_565 5_564 48.892(16) ?
Mn1 Al2 Al3 3_565 14_566 62.135(13) ?
Mn1 Al2 Al3 2_665 14_566 127.69(2) ?
Ni2 Al2 Al3 1_565 14_566 48.892(16) ?
Al3 Al2 Al3 5_564 14_566 63.03(2) ?
Mn1 Al2 Al3 3_565 6_664 127.69(2) ?
Mn1 Al2 Al3 2_665 6_664 62.135(13) ?
Ni2 Al2 Al3 1_565 6_664 48.893(16) ?
Al3 Al2 Al3 5_564 6_664 65.73(3) ?
Al3 Al2 Al3 14_566 6_664 97.79(3) ?
Mn1 Al2 Al3 3_565 15_666 127.69(2) ?
Mn1 Al2 Al3 2_665 15_666 62.135(13) ?
Ni2 Al2 Al3 1_565 15_666 48.893(16) ?
Al3 Al2 Al3 5_564 15_666 97.79(3) ?
Al3 Al2 Al3 14_566 15_666 65.73(3) ?
Al3 Al2 Al3 6_664 15_666 63.03(2) ?
Mn1 Al2 Al2 3_565 2_665 53.710(19) ?
Mn1 Al2 Al2 2_665 2_665 113.711(19) ?
Ni2 Al2 Al2 1_565 2_665 150.0 ?
Al3 Al2 Al2 5_564 2_665 107.340(16) ?
Al3 Al2 Al2 14_566 2_665 107.340(16) ?
Al3 Al2 Al2 6_664 2_665 147.217(13) ?
Al3 Al2 Al2 15_666 2_665 147.217(13) ?
Mn1 Al2 Al2 3_565 3_565 113.710(19) ?
Mn1 Al2 Al2 2_665 3_565 53.710(19) ?
Ni2 Al2 Al2 1_565 3_565 150.0 ?
Al3 Al2 Al2 5_564 3_565 147.217(13) ?
Al3 Al2 Al2 14_566 3_565 147.217(13) ?
Al3 Al2 Al2 6_664 3_565 107.340(16) ?
Al3 Al2 Al2 15_666 3_565 107.340(16) ?
Al2 Al2 Al2 2_665 3_565 60.0 ?
Mn1 Al2 Al3 3_565 3_564 57.471(11) ?
Mn1 Al2 Al3 2_665 3_564 118.729(14) ?
Ni2 Al2 Al3 1_565 3_564 105.093(16) ?
Al3 Al2 Al3 5_564 3_564 108.722(19) ?
Al3 Al2 Al3 14_566 3_564 57.684(15) ?
Al3 Al2 Al3 6_664 3_564 151.28(3) ?
Al3 Al2 Al3 15_666 3_564 91.228(9) ?
Al2 Al2 Al3 2_665 3_564 61.207(14) ?
Al2 Al2 Al3 3_565 3_564 91.756(15) ?
Mn1 Al2 Al3 3_565 18_567 57.471(11) ?
Mn1 Al2 Al3 2_665 18_567 118.729(14) ?
Ni2 Al2 Al3 1_565 18_567 105.093(16) ?
Al3 Al2 Al3 5_564 18_567 57.684(15) ?
Al3 Al2 Al3 14_566 18_567 108.722(19) ?
Al3 Al2 Al3 6_664 18_567 91.228(9) ?
Al3 Al2 Al3 15_666 18_567 151.28(3) ?
Al2 Al2 Al3 2_665 18_567 61.207(14) ?
Al2 Al2 Al3 3_565 18_567 91.756(15) ?
Al3 Al2 Al3 3_564 18_567 109.848(19) ?
Mn1 Al2 Al3 3_565 17_667 118.729(14) ?
Mn1 Al2 Al3 2_665 17_667 57.471(10) ?
Ni2 Al2 Al3 1_565 17_667 105.094(16) ?
Al3 Al2 Al3 5_564 17_667 91.227(9) ?
Al3 Al2 Al3 14_566 17_667 151.28(3) ?
Al3 Al2 Al3 6_664 17_667 57.684(15) ?
Al3 Al2 Al3 15_666 17_667 108.722(19) ?
Al2 Al2 Al3 2_665 17_667 91.756(15) ?
Al2 Al2 Al3 3_565 17_667 61.207(14) ?
Al3 Al2 Al3 3_564 17_667 149.81(3) ?
Al3 Al2 Al3 18_567 17_667 61.63(2) ?
Ni2 Al3 Mn1 13_666 1_556 152.54(3) ?
Ni2 Al3 Al1 13_666 1_556 150.62(2) ?
Mn1 Al3 Al1 1_556 1_556 56.843(13) ?
Ni2 Al3 Mn1 13_666 15_556 99.682(17) ?
Mn1 Al3 Mn1 1_556 15_556 103.866(18) ?
Al1 Al3 Mn1 1_556 15_556 55.920(12) ?
Ni2 Al3 Mn1 13_666 14_556 99.682(17) ?
Mn1 Al3 Mn1 1_556 14_556 103.866(18) ?
Al1 Al3 Mn1 1_556 14_556 55.920(12) ?
Mn1 Al3 Mn1 15_556 14_556 61.373(18) ?
Ni2 Al3 Al3 13_666 15_557 125.585(12) ?
Mn1 Al3 Al3 1_556 15_557 59.979(17) ?
Al1 Al3 Al3 1_556 15_557 58.393(3) ?
Mn1 Al3 Al3 15_556 15_557 57.191(12) ?
Mn1 Al3 Al3 14_556 15_557 106.707(14) ?
Ni2 Al3 Al3 13_666 14_557 125.584(12) ?
Mn1 Al3 Al3 1_556 14_557 59.979(17) ?
Al1 Al3 Al3 1_556 14_557 58.393(3) ?
Mn1 Al3 Al3 15_556 14_557 106.707(14) ?
Mn1 Al3 Al3 14_556 14_557 57.191(12) ?
Al3 Al3 Al3 15_557 14_557 108.69(2) ?
Ni2 Al3 Al2 13_666 14_456 63.687(16) ?
Mn1 Al3 Al2 1_556 14_456 122.461(14) ?
Al1 Al3 Al2 1_556 14_456 103.515(17) ?
Mn1 Al3 Al2 15_556 14_456 51.923(12) ?
Mn1 Al3 Al2 14_556 14_456 103.968(17) ?
Al3 Al3 Al2 15_557 14_456 64.154(18) ?
Al3 Al3 Al2 14_557 14_456 158.47(2) ?
Ni2 Al3 Al2 13_666 15_656 63.685(16) ?
Mn1 Al3 Al2 1_556 15_656 122.460(14) ?
Al1 Al3 Al2 1_556 15_656 103.515(17) ?
Mn1 Al3 Al2 15_556 15_656 103.968(17) ?
Mn1 Al3 Al2 14_556 15_656 51.923(12) ?
Al3 Al3 Al2 15_557 15_656 158.47(2) ?
Al3 Al3 Al2 14_557 15_656 64.154(18) ?
Al2 Al3 Al2 14_456 15_656 114.43(3) ?
Ni2 Al3 Al3 13_666 16_557 50.167(13) ?
Mn1 Al3 Al3 1_556 16_557 157.292(14) ?
Al1 Al3 Al3 1_556 16_557 100.449(11) ?
Mn1 Al3 Al3 15_556 16_557 57.323(10) ?
Mn1 Al3 Al3 14_556 16_557 57.323(10) ?
Al3 Al3 Al3 15_557 16_557 110.25(2) ?
Al3 Al3 Al3 14_557 16_557 110.25(2) ?
Al2 Al3 Al3 14_456 16_557 58.486(11) ?
Al2 Al3 Al3 15_656 16_557 58.486(11) ?
Ni2 Al3 Al2 13_666 3_566 106.471(18) ?
Mn1 Al3 Al2 1_556 3_566 50.658(11) ?
Al1 Al3 Al2 1_556 3_566 99.196(16) ?
Mn1 Al3 Al2 15_556 3_566 153.83(2) ?
Mn1 Al3 Al2 14_556 3_566 113.945(17) ?
Al3 Al3 Al2 15_557 3_566 104.78(3) ?
Al3 Al3 Al2 14_557 3_566 58.16(2) ?
Al2 Al3 Al2 14_456 3_566 142.04(2) ?
Al2 Al3 Al2 15_656 3_566 88.772(9) ?
Al3 Al3 Al2 16_557 3_566 144.924(10) ?
Ni2 Al3 Al2 13_666 2_666 106.471(18) ?
Mn1 Al3 Al2 1_556 2_666 50.658(11) ?
Al1 Al3 Al2 1_556 2_666 99.196(16) ?
Mn1 Al3 Al2 15_556 2_666 113.945(17) ?
Mn1 Al3 Al2 14_556 2_666 153.83(2) ?
Al3 Al3 Al2 15_557 2_666 58.16(2) ?
Al3 Al3 Al2 14_557 2_666 104.78(3) ?
Al2 Al3 Al2 14_456 2_666 88.772(9) ?
Al2 Al3 Al2 15_656 2_666 142.04(2) ?
Al3 Al3 Al2 16_557 2_666 144.924(10) ?
Al2 Al3 Al2 3_566 2_666 57.59(3) ?
Al3 Ni2 Al3 6_654 15_656 79.67(3) ?
Al3 Ni2 Al3 6_654 14_556 134.842(9) ?
Al3 Ni2 Al3 15_656 14_556 83.37(2) ?
Al3 Ni2 Al3 6_654 4_664 83.37(2) ?
Al3 Ni2 Al3 15_656 4_664 134.842(9) ?
Al3 Ni2 Al3 14_556 4_664 134.842(9) ?
Al3 Ni2 Al3 6_654 5_554 83.37(2) ?
Al3 Ni2 Al3 15_656 5_554 134.842(9) ?
Al3 Ni2 Al3 14_556 5_554 79.67(3) ?
Al3 Ni2 Al3 4_664 5_554 83.37(2) ?
Al3 Ni2 Al3 6_654 13_666 134.842(9) ?
Al3 Ni2 Al3 15_656 13_666 83.37(2) ?
Al3 Ni2 Al3 14_556 13_666 83.37(2) ?
Al3 Ni2 Al3 4_664 13_666 79.67(3) ?
Al3 Ni2 Al3 5_554 13_666 134.842(9) ?
Al3 Ni2 Al2 6_654 1_545 67.421(5) ?
Al3 Ni2 Al2 15_656 1_545 67.421(5) ?
Al3 Ni2 Al2 14_556 1_545 67.421(5) ?
Al3 Ni2 Al2 4_664 1_545 140.167(13) ?
Al3 Ni2 Al2 5_554 1_545 67.421(5) ?
Al3 Ni2 Al2 13_666 1_545 140.167(13) ?
Al3 Ni2 Al2 6_654 2_765 67.421(5) ?
Al3 Ni2 Al2 15_656 2_765 67.421(5) ?
Al3 Ni2 Al2 14_556 2_765 140.167(13) ?
Al3 Ni2 Al2 4_664 2_765 67.421(5) ?
Al3 Ni2 Al2 5_554 2_765 140.167(14) ?
Al3 Ni2 Al2 13_666 2_765 67.421(5) ?
Al2 Ni2 Al2 1_545 2_765 120.0 ?
Al3 Ni2 Al2 6_654 3_565 140.167(13) ?
Al3 Ni2 Al2 15_656 3_565 140.167(13) ?
Al3 Ni2 Al2 14_556 3_565 67.421(5) ?
Al3 Ni2 Al2 4_664 3_565 67.421(5) ?
Al3 Ni2 Al2 5_554 3_565 67.421(5) ?
Al3 Ni2 Al2 13_666 3_565 67.421(5) ?
Al2 Ni2 Al2 1_545 3_565 120.0 ?
Al2 Ni2 Al2 2_765 3_565 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mn1 Al2 2_665 2.4251(3) ?
Mn1 Al2 3_565 2.4251(3) ?
Mn1 Al1 . 2.5292(2) ?
Mn1 Al1 4 2.5292(2) ?
Mn1 Al3 16_557 2.6438(6) ?
Mn1 Al3 1_554 2.6438(6) ?
Mn1 Al3 15_556 2.7236(5) ?
Mn1 Al3 6_554 2.7236(5) ?
Mn1 Al3 5_554 2.7236(5) ?
Mn1 Al3 14_556 2.7236(5) ?
Mn1 Mn1 2 2.7799(6) ?
Mn1 Mn1 3 2.7799(6) ?
Al1 Al3 14_556 2.6698(5) ?
Al1 Al3 2_554 2.6698(5) ?
Al1 Al3 1_554 2.6698(5) ?
Al1 Al3 13_556 2.6698(5) ?
Al1 Al3 15_556 2.6698(5) ?
Al2 Ni2 1_565 2.7310(8) ?
Al2 Al3 5_564 2.8132(6) ?
Al2 Al3 14_566 2.8132(6) ?
Al2 Al3 6_664 2.8132(6) ?
Al2 Al3 15_666 2.8132(6) ?
Al2 Al2 2_665 2.8707(14) ?
Al2 Al2 3_565 2.8707(14) ?
Al2 Al3 3_564 2.9801(5) ?
Al2 Al3 18_567 2.9801(5) ?
Al2 Al3 17_667 2.9801(5) ?
Al3 Ni2 13_666 2.2956(5) ?
Al3 Al3 15_557 2.7985(6) ?
Al3 Al3 14_557 2.7985(6) ?
Al3 Al3 16_557 2.9409(10) ?
