#------------------------------------------------------------------------------
#$Date: 2015-08-05 20:10:24 +0300 (Wed, 05 Aug 2015) $
#$Revision: 152785 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/31/4513193.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_4513193
loop_
_publ_author_name
'Watkins-Curry, Pilanda'
'Burnett, Joseph Vade'
'Samanta, Tapas'
'Young, David P.'
'Stadler, Shane'
'Chan, Julia Y.'
_publ_section_title
;
 Strategic Crystal Growth and Physical Properties of Single-Crystalline
 LnCo2Al8(Ln = La--Nd, Sm, Yb)
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3293
_journal_paper_doi               10.1021/acs.cgd.5b00417
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'Al8 Co2 La'
_chemical_formula_sum            'Al8 Co2 La'
_chemical_formula_weight         472.61
_space_group_crystal_system      orthorhombic
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-26 # Formatted by publCIF
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5143(4)
_cell_length_b                   14.4007(5)
_cell_length_c                   4.03390(10)
_cell_measurement_temperature    293(2)
_cell_volume                     726.97(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    CrystalMaker
_computing_publication_material  'publCIF (Westrip, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS Direct Methods (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Kappa D8 Quest CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            7272
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.535
_diffrn_reflns_theta_min         2.156
_diffrn_source                   'I\mS microfocus tube'
_exptl_absorpt_coefficient_mu    11.143
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2014)
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    4.318
_exptl_crystal_description       fragment
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.900
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.228
_refine_ls_extinction_coef       0.0073(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     70
_refine_ls_number_reflns         1251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.0161
_refine_ls_R_factor_gt           0.0157
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0164P)²+0.2990P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0363
_refine_ls_wR_factor_ref         0.0365
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1225
_reflns_number_total             1251
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00417_si_001.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4513193--4513198.cif.'
_cod_database_code               4513193
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.731
_shelx_estimated_absorpt_t_max   0.808
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
La1 La 0.34040(2) 0.31815(2) 0.0000 0.00719(6) Uani 1 2 d S T P
Co1 Co 0.03474(2) 0.40574(2) 0.0000 0.00600(7) Uani 1 2 d S T P
Co2 Co 0.15151(2) 0.09650(2) 0.0000 0.00477(7) Uani 1 2 d S T P
Al1 Al 0.02667(5) 0.13171(4) 0.5000 0.00662(12) Uani 1 2 d S T P
Al2 Al 0.15892(5) 0.38010(5) 0.5000 0.00701(13) Uani 1 2 d S T P
Al3 Al 0.23637(5) 0.17143(4) 0.5000 0.00758(12) Uani 1 2 d S T P
Al4 Al 0.33117(5) 0.49175(4) 0.5000 0.00738(12) Uani 1 2 d S T P
Al5 Al 0.45306(5) 0.17875(4) 0.5000 0.00697(12) Uani 1 2 d S T P
Al6 Al 0.09566(5) 0.25293(4) 0.0000 0.00706(12) Uani 1 2 d S T P
Al7 Al 0.34010(5) 0.04441(5) 0.0000 0.00936(14) Uani 1 2 d S T P
Al8 Al 0.0000 0.5000 0.5000 0.00676(16) Uani 1 4 d S T P
Al9 Al 0.0000 0.0000 0.0000 0.00711(16) Uani 1 4 d S T P
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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
Al1 La1 Al1 79.148(15) 7_665 7_664
Al1 La1 Al2 93.328(13) 7_665 .
Al1 La1 Al2 150.440(18) 7_664 .
Al1 La1 Al2 150.440(18) 7_665 1_554
Al1 La1 Al2 93.329(13) 7_664 1_554
Al2 La1 Al2 79.154(14) . 1_554
Al1 La1 Al5 102.821(15) 7_665 1_554
Al1 La1 Al5 54.032(14) 7_664 1_554
Al2 La1 Al5 154.323(17) . 1_554
Al2 La1 Al5 95.277(12) 1_554 1_554
Al1 La1 Al5 54.033(14) 7_665 .
Al1 La1 Al5 102.821(15) 7_664 .
Al2 La1 Al5 95.277(12) . .
Al2 La1 Al5 154.323(17) 1_554 .
Al5 La1 Al5 78.857(14) 1_554 .
Al1 La1 Al3 148.453(17) 7_665 1_554
Al1 La1 Al3 92.787(12) 7_664 1_554
Al2 La1 Al3 107.214(15) . 1_554
Al2 La1 Al3 59.490(16) 1_554 1_554
Al5 La1 Al3 50.398(18) 1_554 1_554
Al5 La1 Al3 99.419(15) . 1_554
Al1 La1 Al3 92.787(12) 7_665 .
Al1 La1 Al3 148.453(17) 7_664 .
Al2 La1 Al3 59.491(16) . .
Al2 La1 Al3 107.214(15) 1_554 .
Al5 La1 Al3 99.419(15) 1_554 .
Al5 La1 Al3 50.398(18) . .
Al3 La1 Al3 78.201(14) 1_554 .
Al1 La1 Al6 140.425(8) 7_665 .
Al1 La1 Al6 140.425(8) 7_664 .
Al2 La1 Al6 52.897(12) . .
Al2 La1 Al6 52.897(12) 1_554 .
Al5 La1 Al6 103.834(14) 1_554 .
Al5 La1 Al6 103.834(14) . .
Al3 La1 Al6 54.344(12) 1_554 .
Al3 La1 Al6 54.344(12) . .
Al1 La1 Al4 56.587(15) 7_665 .
Al1 La1 Al4 104.410(14) 7_664 .
Al2 La1 Al4 49.851(16) . .
Al2 La1 Al4 98.906(15) 1_554 .
Al5 La1 Al4 154.977(17) 1_554 .
Al5 La1 Al4 96.261(11) . .
Al3 La1 Al4 153.507(16) 1_554 .
Al3 La1 Al4 95.940(11) . .
Al6 La1 Al4 101.166(13) . .
Al1 La1 Al4 104.410(14) 7_665 1_554
Al1 La1 Al4 56.586(15) 7_664 1_554
Al2 La1 Al4 98.906(15) . 1_554
Al2 La1 Al4 49.852(16) 1_554 1_554
Al5 La1 Al4 96.261(11) 1_554 1_554
Al5 La1 Al4 154.976(17) . 1_554
Al3 La1 Al4 95.940(11) 1_554 1_554
Al3 La1 Al4 153.508(16) . 1_554
Al6 La1 Al4 101.167(13) . 1_554
Al4 La1 Al4 77.732(15) . 1_554
Al1 La1 Al9 51.109(9) 7_665 3
Al1 La1 Al9 51.109(9) 7_664 3
Al2 La1 Al9 102.179(12) . 3
Al2 La1 Al9 102.179(12) 1_554 3
Al5 La1 Al9 103.497(12) 1_554 3
Al5 La1 Al9 103.498(12) . 3
Al3 La1 Al9 140.553(7) 1_554 3
Al3 La1 Al9 140.554(7) . 3
Al6 La1 Al9 144.380(10) . 3
Al4 La1 Al9 53.370(10) . 3
Al4 La1 Al9 53.369(10) 1_554 3
Al6 Co1 Al8 125.238(5) . .
Al6 Co1 Al8 125.238(5) . 1_554
Al8 Co1 Al8 109.502(10) . 1_554
Al6 Co1 Al7 122.78(2) . 3
Al8 Co1 Al7 71.105(9) . 3
Al8 Co1 Al7 71.105(9) 1_554 3
Al6 Co1 Al7 125.53(2) . 7_565
Al8 Co1 Al7 71.080(10) . 7_565
Al8 Co1 Al7 71.080(10) 1_554 7_565
Al7 Co1 Al7 111.685(18) 3 7_565
Al6 Co1 Al5 71.493(16) . 7_564
Al8 Co1 Al5 146.288(19) . 7_564
Al8 Co1 Al5 63.186(11) 1_554 7_564
Al7 Co1 Al5 128.209(12) 3 7_564
Al7 Co1 Al5 75.648(18) 7_565 7_564
Al6 Co1 Al5 71.493(16) . 7_565
Al8 Co1 Al5 63.186(11) . 7_565
Al8 Co1 Al5 146.288(18) 1_554 7_565
Al7 Co1 Al5 128.209(12) 3 7_565
Al7 Co1 Al5 75.648(18) 7_565 7_565
Al5 Co1 Al5 103.53(2) 7_564 7_565
Al6 Co1 Al2 70.531(18) . 1_554
Al8 Co1 Al2 145.629(18) . 1_554
Al8 Co1 Al2 62.933(13) 1_554 1_554
Al7 Co1 Al2 74.938(18) 3 1_554
Al7 Co1 Al2 128.311(11) 7_565 1_554
Al5 Co1 Al2 63.684(18) 7_564 1_554
Al5 Co1 Al2 142.02(2) 7_565 1_554
Al6 Co1 Al2 70.530(18) . .
Al8 Co1 Al2 62.934(13) . .
Al8 Co1 Al2 145.629(18) 1_554 .
Al7 Co1 Al2 74.938(18) 3 .
Al7 Co1 Al2 128.312(11) 7_565 .
Al5 Co1 Al2 142.02(2) 7_564 .
Al5 Co1 Al2 63.684(18) 7_565 .
Al2 Co1 Al2 103.25(2) 1_554 .
Al6 Co1 Co1 178.65(2) . 5_565
Al8 Co1 Co1 54.751(5) . 5_565
Al8 Co1 Co1 54.751(5) 1_554 5_565
Al7 Co1 Co1 55.867(16) 3 5_565
Al7 Co1 Co1 55.818(18) 7_565 5_565
Al5 Co1 Co1 109.259(16) 7_564 5_565
Al5 Co1 Co1 109.259(16) 7_565 5_565
Al2 Co1 Co1 108.716(18) 1_554 5_565
Al2 Co1 Co1 108.717(18) . 5_565
Al9 Co2 Al6 109.003(18) . .
Al9 Co2 Al7 126.13(2) . .
Al6 Co2 Al7 124.87(2) . .
Al9 Co2 Al3 126.338(13) . .
Al6 Co2 Al3 73.510(17) . .
Al7 Co2 Al3 74.234(18) . .
Al9 Co2 Al3 126.338(13) . 1_554
Al6 Co2 Al3 73.509(17) . 1_554
Al7 Co2 Al3 74.235(18) . 1_554
Al3 Co2 Al3 106.22(2) . 1_554
Al9 Co2 Al4 73.525(15) . 3_545
Al6 Co2 Al4 126.535(13) . 3_545
Al7 Co2 Al4 74.784(18) . 3_545
Al3 Co2 Al4 149.02(2) . 3_545
Al3 Co2 Al4 65.235(17) 1_554 3_545
Al9 Co2 Al4 73.525(15) . 3_546
Al6 Co2 Al4 126.535(13) . 3_546
Al7 Co2 Al4 74.784(18) . 3_546
Al3 Co2 Al4 65.234(17) . 3_546
Al3 Co2 Al4 149.02(2) 1_554 3_546
Al4 Co2 Al4 105.85(3) 3_545 3_546
Al9 Co2 Al1 68.336(14) . 1_554
Al6 Co2 Al1 68.644(16) . 1_554
Al7 Co2 Al1 129.156(12) . 1_554
Al3 Co2 Al1 142.15(2) . 1_554
Al3 Co2 Al1 63.213(19) 1_554 1_554
Al4 Co2 Al1 63.201(18) 3_545 1_554
Al4 Co2 Al1 141.86(2) 3_546 1_554
Al9 Co2 Al1 68.335(14) . .
Al6 Co2 Al1 68.645(16) . .
Al7 Co2 Al1 129.156(12) . .
Al3 Co2 Al1 63.214(19) . .
Al3 Co2 Al1 142.15(2) 1_554 .
Al4 Co2 Al1 141.86(2) 3_545 .
Al4 Co2 Al1 63.201(18) 3_546 .
Al1 Co2 Al1 101.69(2) 1_554 .
Co2 Al1 Co2 101.69(2) 1_556 .
Co2 Al1 Al3 56.954(14) 1_556 .
Co2 Al1 Al3 56.954(14) . .
Co2 Al1 Al4 57.072(14) 1_556 3_546
Co2 Al1 Al4 57.071(14) . 3_546
Al3 Al1 Al4 60.86(2) . 3_546
Co2 Al1 Al9 120.01(2) 1_556 .
Co2 Al1 Al9 51.573(9) . .
Al3 Al1 Al9 105.176(19) . .
Al4 Al1 Al9 64.487(14) 3_546 .
Co2 Al1 Al9 51.573(9) 1_556 1_556
Co2 Al1 Al9 120.01(2) . 1_556
Al3 Al1 Al9 105.176(19) . 1_556
Al4 Al1 Al9 64.487(14) 3_546 1_556
Al9 Al1 Al9 92.647(18) . 1_556
Co2 Al1 Al6 51.580(14) 1_556 1_556
Co2 Al1 Al6 119.62(3) . 1_556
Al3 Al1 Al6 64.312(19) . 1_556
Al4 Al1 Al6 105.25(2) 3_546 1_556
Al9 Al1 Al6 168.70(3) . 1_556
Al9 Al1 Al6 86.561(9) 1_556 1_556
Co2 Al1 Al6 119.62(3) 1_556 .
Co2 Al1 Al6 51.581(14) . .
Al3 Al1 Al6 64.313(19) . .
Al4 Al1 Al6 105.25(2) 3_546 .
Al9 Al1 Al6 86.562(9) . .
Al9 Al1 Al6 168.70(3) 1_556 .
Al6 Al1 Al6 92.01(2) 1_556 .
Co2 Al1 Al5 112.134(18) 1_556 7_565
Co2 Al1 Al5 112.134(18) . 7_565
Al3 Al1 Al5 96.36(3) . 7_565
Al4 Al1 Al5 157.22(3) 3_546 7_565
Al9 Al1 Al5 127.311(14) . 7_565
Al9 Al1 Al5 127.311(14) 1_556 7_565
Al6 Al1 Al5 60.565(17) 1_556 7_565
Al6 Al1 Al5 60.564(17) . 7_565
Co2 Al1 La1 168.717(19) 1_556 7_565
Co2 Al1 La1 89.581(6) . 7_565
Al3 Al1 La1 132.131(16) . 7_565
Al4 Al1 La1 131.165(15) 3_546 7_565
Al9 Al1 La1 66.811(8) . 7_565
Al9 Al1 La1 121.85(2) 1_556 7_565
Al6 Al1 La1 122.89(2) 1_556 7_565
Al6 Al1 La1 68.063(14) . 7_565
Al5 Al1 La1 63.156(15) 7_565 7_565
Co2 Al1 La1 89.580(6) 1_556 7_566
Co2 Al1 La1 168.718(19) . 7_566
Al3 Al1 La1 132.131(16) . 7_566
Al4 Al1 La1 131.165(15) 3_546 7_566
Al9 Al1 La1 121.85(2) . 7_566
Al9 Al1 La1 66.811(9) 1_556 7_566
Al6 Al1 La1 68.064(14) 1_556 7_566
Al6 Al1 La1 122.89(2) . 7_566
Al5 Al1 La1 63.156(15) 7_565 7_566
La1 Al1 La1 79.148(15) 7_565 7_566
Co1 Al2 Co1 103.25(2) 1_556 .
Co1 Al2 Al8 56.621(12) 1_556 .
Co1 Al2 Al8 56.621(13) . .
Co1 Al2 Al4 113.48(2) 1_556 .
Co1 Al2 Al4 113.48(2) . .
Al8 Al2 Al4 102.32(3) . .
Co1 Al2 Al5 58.068(13) 1_556 7_565
Co1 Al2 Al5 58.067(13) . 7_565
Al8 Al2 Al5 59.175(17) . 7_565
Al4 Al2 Al5 161.49(3) . 7_565
Co1 Al2 Al6 118.78(2) 1_556 .
Co1 Al2 Al6 50.709(13) . .
Al8 Al2 Al6 102.268(19) . .
Al4 Al2 Al6 127.562(17) . .
Al5 Al2 Al6 62.173(18) 7_565 .
Co1 Al2 Al6 50.710(13) 1_556 1_556
Co1 Al2 Al6 118.78(2) . 1_556
Al8 Al2 Al6 102.269(19) . 1_556
Al4 Al2 Al6 127.562(17) . 1_556
Al5 Al2 Al6 62.174(18) 7_565 1_556
Al6 Al2 Al6 90.62(2) . 1_556
Co1 Al2 La1 88.526(6) 1_556 1_556
Co1 Al2 La1 166.71(2) . 1_556
Al8 Al2 La1 136.592(13) . 1_556
Al4 Al2 La1 66.012(15) . 1_556
Al5 Al2 La1 126.398(19) 7_565 1_556
Al6 Al2 La1 118.11(2) . 1_556
Al6 Al2 La1 64.233(14) 1_556 1_556
Co1 Al2 La1 166.71(2) 1_556 .
Co1 Al2 La1 88.527(7) . .
Al8 Al2 La1 136.592(13) . .
Al4 Al2 La1 66.011(15) . .
Al5 Al2 La1 126.398(19) 7_565 .
Al6 Al2 La1 64.235(13) . .
Al6 Al2 La1 118.11(2) 1_556 .
La1 Al2 La1 79.154(14) 1_556 .
Co2 Al3 Co2 106.22(2) . 1_556
Co2 Al3 Al1 59.832(15) . .
Co2 Al3 Al1 59.831(15) 1_556 .
Co2 Al3 Al5 115.938(18) . .
Co2 Al3 Al5 115.939(18) 1_556 .
Al1 Al3 Al5 169.93(3) . .
Co2 Al3 Al4 57.490(14) . 3_546
Co2 Al3 Al4 57.490(14) 1_556 3_546
Al1 Al3 Al4 59.61(2) . 3_546
Al5 Al3 Al4 110.32(3) . 3_546
Co2 Al3 Al6 118.03(3) . 1_556
Co2 Al3 Al6 50.679(13) 1_556 1_556
Al1 Al3 Al6 59.801(18) . 1_556
Al5 Al3 Al6 125.891(18) . 1_556
Al4 Al3 Al6 101.22(2) 3_546 1_556
Co2 Al3 Al6 50.680(13) . .
Co2 Al3 Al6 118.03(3) 1_556 .
Al1 Al3 Al6 59.800(18) . .
Al5 Al3 Al6 125.892(18) . .
Al4 Al3 Al6 101.22(2) 3_546 .
Al6 Al3 Al6 87.25(2) 1_556 .
Co2 Al3 La1 163.44(2) . 1_556
Co2 Al3 La1 87.116(7) 1_556 1_556
Al1 Al3 La1 122.578(19) . 1_556
Al5 Al3 La1 64.375(14) . 1_556
Al4 Al3 La1 138.976(10) 3_546 1_556
Al6 Al3 La1 62.923(13) 1_556 1_556
Al6 Al3 La1 114.52(2) . 1_556
Co2 Al3 La1 87.117(7) . .
Co2 Al3 La1 163.43(2) 1_556 .
Al1 Al3 La1 122.579(19) . .
Al5 Al3 La1 64.375(14) . .
Al4 Al3 La1 138.977(10) 3_546 .
Al6 Al3 La1 114.52(2) 1_556 .
Al6 Al3 La1 62.923(13) . .
La1 Al3 La1 78.201(14) 1_556 .
Co2 Al4 Co2 105.85(3) 3_556 3
Co2 Al4 Al1 59.726(14) 3_556 3_556
Co2 Al4 Al1 59.726(14) 3 3_556
Co2 Al4 Al2 115.183(18) 3_556 .
Co2 Al4 Al2 115.183(18) 3 .
Al1 Al4 Al2 168.15(3) 3_556 .
Co2 Al4 Al3 57.276(14) 3_556 3_556
Co2 Al4 Al3 57.276(14) 3 3_556
Al1 Al4 Al3 59.52(2) 3_556 3_556
Al2 Al4 Al3 108.63(3) . 3_556
Co2 Al4 Al9 50.453(9) 3_556 3_556
Co2 Al4 Al9 117.66(2) 3 3_556
Al1 Al4 Al9 59.422(14) 3_556 3_556
Al2 Al4 Al9 127.129(16) . 3_556
Al3 Al4 Al9 100.706(19) 3_556 3_556
Co2 Al4 Al9 117.66(2) 3_556 3
Co2 Al4 Al9 50.453(9) 3 3
Al1 Al4 Al9 59.422(14) 3_556 3
Al2 Al4 Al9 127.129(16) . 3
Al3 Al4 Al9 100.706(19) 3_556 3
Al9 Al4 Al9 87.251(17) 3_556 3
Co2 Al4 La1 164.09(2) 3_556 .
Co2 Al4 La1 87.729(7) 3 .
Al1 Al4 La1 124.011(18) 3_556 .
Al2 Al4 La1 64.138(16) . .
Al3 Al4 La1 138.634(11) 3_556 .
Al9 Al4 La1 116.01(2) 3_556 .
Al9 Al4 La1 64.703(8) 3 .
Co2 Al4 La1 87.729(7) 3_556 1_556
Co2 Al4 La1 164.09(2) 3 1_556
Al1 Al4 La1 124.011(18) 3_556 1_556
Al2 Al4 La1 64.137(16) . 1_556
Al3 Al4 La1 138.634(11) 3_556 1_556
Al9 Al4 La1 64.703(8) 3_556 1_556
Al9 Al4 La1 116.01(2) 3 1_556
La1 Al4 La1 77.732(15) . 1_556
Co1 Al5 Co1 103.53(2) 7_665 7_666
Co1 Al5 Al8 56.597(12) 7_665 3_546
Co1 Al5 Al8 56.597(12) 7_666 3_546
Co1 Al5 Al2 58.248(15) 7_665 7_665
Co1 Al5 Al2 58.248(15) 7_666 7_665
Al8 Al5 Al2 58.93(2) 3_546 7_665
Co1 Al5 Al3 112.295(18) 7_665 .
Co1 Al5 Al3 112.295(18) 7_666 .
Al8 Al5 Al3 100.63(2) 3_546 .
Al2 Al5 Al3 159.56(3) 7_665 .
Co1 Al5 Al6 117.86(3) 7_665 7_666
Co1 Al5 Al6 50.376(13) 7_666 7_666
Al8 Al5 Al6 101.31(2) 3_546 7_666
Al2 Al5 Al6 61.053(19) 7_665 7_666
Al3 Al5 Al6 129.442(17) . 7_666
Co1 Al5 Al6 50.376(13) 7_665 7_665
Co1 Al5 Al6 117.86(3) 7_666 7_665
Al8 Al5 Al6 101.31(2) 3_546 7_665
Al2 Al5 Al6 61.053(19) 7_665 7_665
Al3 Al5 Al6 129.442(17) . 7_665
Al6 Al5 Al6 89.41(2) 7_666 7_665
Co1 Al5 Al1 108.762(19) 7_665 7_665
Co1 Al5 Al1 108.762(19) 7_666 7_665
Al8 Al5 Al1 148.49(3) 3_546 7_665
Al2 Al5 Al1 89.56(3) 7_665 7_665
Al3 Al5 Al1 110.88(3) . 7_665
Al6 Al5 Al1 58.387(16) 7_666 7_665
Al6 Al5 Al1 58.387(16) 7_665 7_665
Co1 Al5 La1 167.192(18) 7_665 1_556
Co1 Al5 La1 88.703(6) 7_666 1_556
Al8 Al5 La1 135.645(12) 3_546 1_556
Al2 Al5 La1 128.261(17) 7_665 1_556
Al3 Al5 La1 65.227(15) . 1_556
Al6 Al5 La1 67.210(13) 7_666 1_556
Al6 Al5 La1 120.41(2) 7_665 1_556
Al1 Al5 La1 62.811(13) 7_665 1_556
Co1 Al5 La1 88.703(6) 7_665 .
Co1 Al5 La1 167.192(18) 7_666 .
Al8 Al5 La1 135.646(12) 3_546 .
Al2 Al5 La1 128.261(17) 7_665 .
Al3 Al5 La1 65.228(15) . .
Al6 Al5 La1 120.41(2) 7_666 .
Al6 Al5 La1 67.210(13) 7_665 .
Al1 Al5 La1 62.810(13) 7_665 .
La1 Al5 La1 78.857(14) 1_556 .
Co1 Al6 Co2 178.13(3) . .
Co1 Al6 Al1 119.176(19) . 1_554
Co2 Al6 Al1 59.774(16) . 1_554
Co1 Al6 Al1 119.177(19) . .
Co2 Al6 Al1 59.774(16) . .
Al1 Al6 Al1 92.01(2) 1_554 .
Co1 Al6 Al2 58.761(16) . .
Co2 Al6 Al2 122.266(18) . .
Al1 Al6 Al2 177.83(3) 1_554 .
Al1 Al6 Al2 88.648(14) . .
Co1 Al6 Al2 58.760(16) . 1_554
Co2 Al6 Al2 122.267(18) . 1_554
Al1 Al6 Al2 88.647(14) 1_554 1_554
Al1 Al6 Al2 177.83(3) . 1_554
Al2 Al6 Al2 90.62(2) . 1_554
Co1 Al6 Al5 58.132(15) . 7_564
Co2 Al6 Al5 120.807(18) . 7_564
Al1 Al6 Al5 61.046(17) 1_554 7_564
Al1 Al6 Al5 121.87(3) . 7_564
Al2 Al6 Al5 116.89(2) . 7_564
Al2 Al6 Al5 56.774(17) 1_554 7_564
Co1 Al6 Al5 58.132(15) . 7_565
Co2 Al6 Al5 120.807(18) . 7_565
Al1 Al6 Al5 121.87(3) 1_554 7_565
Al1 Al6 Al5 61.047(17) . 7_565
Al2 Al6 Al5 56.775(17) . 7_565
Al2 Al6 Al5 116.89(2) 1_554 7_565
Al5 Al6 Al5 89.41(2) 7_564 7_565
Co1 Al6 Al3 125.207(17) . 1_554
Co2 Al6 Al3 55.811(14) . 1_554
Al1 Al6 Al3 55.886(18) 1_554 1_554
Al1 Al6 Al3 115.58(2) . 1_554
Al2 Al6 Al3 125.56(3) . 1_554
Al2 Al6 Al3 66.459(17) 1_554 1_554
Al5 Al6 Al3 91.565(14) 7_564 1_554
Al5 Al6 Al3 176.38(3) 7_565 1_554
Co1 Al6 Al3 125.208(17) . .
Co2 Al6 Al3 55.810(14) . .
Al1 Al6 Al3 115.58(2) 1_554 .
Al1 Al6 Al3 55.886(18) . .
Al2 Al6 Al3 66.459(17) . .
Al2 Al6 Al3 125.56(3) 1_554 .
Al5 Al6 Al3 176.38(3) 7_564 .
Al5 Al6 Al3 91.565(14) 7_565 .
Al3 Al6 Al3 87.25(2) 1_554 .
Co1 Al6 La1 92.060(18) . .
Co2 Al6 La1 89.812(18) . .
Al1 Al6 La1 118.485(18) 1_554 .
Al1 Al6 La1 118.486(18) . .
Al2 Al6 La1 62.868(15) . .
Al2 Al6 La1 62.869(15) 1_554 .
Al5 Al6 La1 119.635(18) 7_564 .
Al5 Al6 La1 119.635(18) 7_565 .
Al3 Al6 La1 62.732(16) 1_554 .
Al3 Al6 La1 62.732(16) . .
Co1 Al6 La1 88.658(18) . 7_565
Co2 Al6 La1 89.470(18) . 7_565
Al1 Al6 La1 61.104(16) 1_554 7_565
Al1 Al6 La1 61.103(16) . 7_565
Al2 Al6 La1 117.562(17) . 7_565
Al2 Al6 La1 117.562(17) 1_554 7_565
Al5 Al6 La1 60.788(16) 7_564 7_565
Al5 Al6 La1 60.788(16) 7_565 7_565
Al3 Al6 La1 116.814(17) 1_554 7_565
Al3 Al6 La1 116.813(17) . 7_565
La1 Al6 La1 179.282(18) . 7_565
Co2 Al7 Co1 145.74(3) . 3_545
Co2 Al7 Co1 145.95(3) . 7_665
Co1 Al7 Co1 68.314(18) 3_545 7_665
Co2 Al7 Al8 136.166(8) . 3_546
Co1 Al7 Al8 53.356(11) 3_545 3_546
Co1 Al7 Al8 53.344(10) 7_665 3_546
Co2 Al7 Al8 136.166(8) . 3_545
Co1 Al7 Al8 53.356(11) 3_545 3_545
Co1 Al7 Al8 53.344(10) 7_665 3_545
Al8 Al7 Al8 87.667(16) 3_546 3_545
Co1 Al8 Co1 180.0 . 5_566
Co1 Al8 Co1 70.498(10) . 5_565
Co1 Al8 Co1 109.501(10) 5_566 5_565
Co1 Al8 Co1 109.502(10) . 1_556
Co1 Al8 Co1 70.499(10) 5_566 1_556
Co1 Al8 Co1 180.0 5_565 1_556
Co1 Al8 Al2 119.555(7) . 5_566
Co1 Al8 Al2 60.445(7) 5_566 5_566
Co1 Al8 Al2 60.445(7) 5_565 5_566
Co1 Al8 Al2 119.555(7) 1_556 5_566
Co1 Al8 Al2 60.445(7) . .
Co1 Al8 Al2 119.555(7) 5_566 .
Co1 Al8 Al2 119.555(7) 5_565 .
Co1 Al8 Al2 60.445(7) 1_556 .
Al2 Al8 Al2 180.0 5_566 .
Co1 Al8 Al5 60.219(7) . 7_565
Co1 Al8 Al5 119.781(7) 5_566 7_565
Co1 Al8 Al5 119.781(7) 5_565 7_565
Co1 Al8 Al5 60.219(7) 1_556 7_565
Al2 Al8 Al5 118.11(2) 5_566 7_565
Al2 Al8 Al5 61.89(2) . 7_565
Co1 Al8 Al5 119.781(7) . 3_556
Co1 Al8 Al5 60.219(7) 5_566 3_556
Co1 Al8 Al5 60.219(7) 5_565 3_556
Co1 Al8 Al5 119.781(7) 1_556 3_556
Al2 Al8 Al5 61.89(2) 5_566 3_556
Al2 Al8 Al5 118.11(2) . 3_556
Al5 Al8 Al5 180.0 7_565 3_556
Co1 Al8 Al7 55.575(12) . 7_565
Co1 Al8 Al7 124.425(12) 5_566 7_565
Co1 Al8 Al7 55.539(13) 5_565 7_565
Co1 Al8 Al7 124.461(13) 1_556 7_565
Al2 Al8 Al7 67.982(16) 5_566 7_565
Al2 Al8 Al7 112.017(16) . 7_565
Al5 Al8 Al7 68.471(16) 7_565 7_565
Al5 Al8 Al7 111.529(16) 3_556 7_565
Co1 Al8 Al7 124.425(12) . 3_556
Co1 Al8 Al7 55.575(12) 5_566 3_556
Co1 Al8 Al7 124.461(13) 5_565 3_556
Co1 Al8 Al7 55.539(13) 1_556 3_556
Al2 Al8 Al7 112.018(16) 5_566 3_556
Al2 Al8 Al7 67.983(16) . 3_556
Al5 Al8 Al7 111.529(16) 7_565 3_556
Al5 Al8 Al7 68.471(16) 3_556 3_556
Al7 Al8 Al7 180.0 7_565 3_556
Co1 Al8 Al7 124.461(13) . 7_566
Co1 Al8 Al7 55.539(13) 5_566 7_566
Co1 Al8 Al7 124.425(12) 5_565 7_566
Co1 Al8 Al7 55.575(12) 1_556 7_566
Al2 Al8 Al7 67.982(16) 5_566 7_566
Al2 Al8 Al7 112.017(16) . 7_566
Al5 Al8 Al7 68.471(16) 7_565 7_566
Al5 Al8 Al7 111.529(16) 3_556 7_566
Al7 Al8 Al7 87.668(16) 7_565 7_566
Al7 Al8 Al7 92.332(16) 3_556 7_566
Co1 Al8 Al7 55.539(13) . 3
Co1 Al8 Al7 124.461(13) 5_566 3
Co1 Al8 Al7 55.575(12) 5_565 3
Co1 Al8 Al7 124.425(12) 1_556 3
Al2 Al8 Al7 112.018(16) 5_566 3
Al2 Al8 Al7 67.983(16) . 3
Al5 Al8 Al7 111.529(16) 7_565 3
Al5 Al8 Al7 68.471(16) 3_556 3
Al7 Al8 Al7 92.332(16) 7_565 3
Al7 Al8 Al7 87.668(16) 3_556 3
Al7 Al8 Al7 180.0 7_566 3
Co2 Al9 Co2 180.0 5 .
Co2 Al9 Al1 119.908(12) 5 .
Co2 Al9 Al1 60.092(12) . .
Co2 Al9 Al1 60.091(12) 5 5
Co2 Al9 Al1 119.909(12) . 5
Al1 Al9 Al1 180.0 . 5
Co2 Al9 Al1 60.091(12) 5 5_556
Co2 Al9 Al1 119.909(12) . 5_556
Al1 Al9 Al1 87.354(18) . 5_556
Al1 Al9 Al1 92.645(18) 5 5_556
Co2 Al9 Al1 119.909(12) 5 1_554
Co2 Al9 Al1 60.091(12) . 1_554
Al1 Al9 Al1 92.646(18) . 1_554
Al1 Al9 Al1 87.355(18) 5 1_554
Al1 Al9 Al1 180.000(18) 5_556 1_554
Co2 Al9 Al4 56.021(12) 5 7_564
Co2 Al9 Al4 123.980(12) . 7_564
Al1 Al9 Al4 123.909(17) . 7_564
Al1 Al9 Al4 56.091(17) 5 7_564
Al1 Al9 Al4 116.111(16) 5_556 7_564
Al1 Al9 Al4 63.889(16) 1_554 7_564
Co2 Al9 Al4 123.979(12) 5 3_546
Co2 Al9 Al4 56.020(12) . 3_546
Al1 Al9 Al4 56.091(17) . 3_546
Al1 Al9 Al4 123.909(17) 5 3_546
Al1 Al9 Al4 63.889(16) 5_556 3_546
Al1 Al9 Al4 116.111(16) 1_554 3_546
Al4 Al9 Al4 180.0 7_564 3_546
Co2 Al9 Al4 56.021(12) 5 7_565
Co2 Al9 Al4 123.980(12) . 7_565
Al1 Al9 Al4 63.888(16) . 7_565
Al1 Al9 Al4 116.111(16) 5 7_565
Al1 Al9 Al4 56.091(17) 5_556 7_565
Al1 Al9 Al4 123.909(17) 1_554 7_565
Al4 Al9 Al4 87.252(17) 7_564 7_565
Al4 Al9 Al4 92.748(17) 3_546 7_565
Co2 Al9 Al4 123.979(12) 5 3_545
Co2 Al9 Al4 56.020(12) . 3_545
Al1 Al9 Al4 116.112(16) . 3_545
Al1 Al9 Al4 63.889(16) 5 3_545
Al1 Al9 Al4 123.909(17) 5_556 3_545
Al1 Al9 Al4 56.091(17) 1_554 3_545
Al4 Al9 Al4 92.748(17) 7_564 3_545
Al4 Al9 Al4 87.252(17) 3_546 3_545
Al4 Al9 Al4 180.0 7_565 3_545
Co2 Al9 La1 91.092(7) 5 3_545
Co2 Al9 La1 88.908(7) . 3_545
Al1 Al9 La1 117.919(12) . 3_545
Al1 Al9 La1 62.081(12) 5 3_545
Al1 Al9 La1 62.081(12) 5_556 3_545
Al1 Al9 La1 117.919(12) 1_554 3_545
Al4 Al9 La1 118.072(12) 7_564 3_545
Al4 Al9 La1 61.928(12) 3_546 3_545
Al4 Al9 La1 118.072(12) 7_565 3_545
Al4 Al9 La1 61.928(12) 3_545 3_545
Co2 Al9 La1 88.908(7) 5 7_565
Co2 Al9 La1 91.092(7) . 7_565
Al1 Al9 La1 62.081(12) . 7_565
Al1 Al9 La1 117.919(12) 5 7_565
Al1 Al9 La1 117.919(12) 5_556 7_565
Al1 Al9 La1 62.081(12) 1_554 7_565
Al4 Al9 La1 61.928(12) 7_564 7_565
Al4 Al9 La1 118.072(12) 3_546 7_565
Al4 Al9 La1 61.928(12) 7_565 7_565
Al4 Al9 La1 118.072(12) 3_545 7_565
La1 Al9 La1 180.0 3_545 7_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Al1 3.1659(5) 7_665
La1 Al1 3.1659(5) 7_664
La1 Al2 3.1658(5) .
La1 Al2 3.1658(5) 1_554
La1 Al5 3.1757(5) 1_554
La1 Al5 3.1757(5) .
La1 Al3 3.1980(5) 1_554
La1 Al3 3.1981(5) .
La1 Al6 3.2035(6) .
La1 Al4 3.2142(5) .
La1 Al4 3.2143(5) 1_554
La1 Al9 3.29347(14) 3
Co1 Al6 2.3288(6) .
Co1 Al8 2.46978(15) .
Co1 Al8 2.46978(15) 1_554
Co1 Al7 2.5380(7) 3
Co1 Al7 2.5394(6) 7_565
Co1 Al5 2.5678(4) 7_564
Co1 Al5 2.5678(4) 7_565
Co1 Al2 2.5728(4) 1_554
Co1 Al2 2.5728(4) .
Co1 Co1 2.8508(5) 5_565
Co2 Al9 2.3508(3) .
Co2 Al6 2.3586(6) .
Co2 Al7 2.4764(7) .
Co2 Al3 2.5219(4) .
Co2 Al3 2.5219(4) 1_554
Co2 Al4 2.5279(4) 3_545
Co2 Al4 2.5279(4) 3_546
Co2 Al1 2.6011(4) 1_554
Co2 Al1 2.6011(4) .
Al1 Co2 2.6011(4) 1_556
Al1 Al3 2.6858(9) .
Al1 Al4 2.6883(9) 3_546
Al1 Al9 2.7887(4) .
Al1 Al9 2.7887(4) 1_556
Al1 Al6 2.8037(6) 1_556
Al1 Al6 2.8037(6) .
Al1 Al5 2.8807(8) 7_565
Al1 La1 3.1660(5) 7_565
Al1 La1 3.1660(5) 7_566
Al2 Co1 2.5728(4) 1_556
Al2 Al8 2.6337(6) .
Al2 Al4 2.6892(9) .
Al2 Al5 2.7121(9) 7_565
Al2 Al6 2.8370(6) .
Al2 Al6 2.8370(6) 1_556
Al2 La1 3.1657(5) 1_556
Al3 Co2 2.5219(4) 1_556
Al3 Al5 2.7138(10) .
Al3 Al4 2.7220(9) 3_546
Al3 Al6 2.9233(6) 1_556
Al3 Al6 2.9234(6) .
Al3 La1 3.1980(5) 1_556
Al4 Co2 2.5280(4) 3_556
Al4 Co2 2.5280(4) 3
Al4 Al1 2.6884(9) 3_556
Al4 Al3 2.7220(9) 3_556
Al4 Al9 2.9234(4) 3_556
Al4 Al9 2.9234(4) 3
Al4 La1 3.2143(5) 1_556
Al5 Co1 2.5678(4) 7_665
Al5 Co1 2.5678(4) 7_666
Al5 Al8 2.6403(6) 3_546
Al5 Al2 2.7120(9) 7_665
Al5 Al6 2.8672(6) 7_666
Al5 Al6 2.8672(6) 7_665
Al5 Al1 2.8807(8) 7_665
Al5 La1 3.1757(5) 1_556
Al6 Al1 2.8037(6) 1_554
Al6 Al2 2.8370(6) 1_554
Al6 Al5 2.8672(6) 7_564
Al6 Al5 2.8672(6) 7_565
Al6 Al3 2.9234(6) 1_554
Al6 La1 3.3544(6) 7_565
Al7 Co1 2.5380(7) 3_545
Al7 Co1 2.5395(6) 7_665
Al7 Al8 2.9123(4) 3_546
Al7 Al8 2.9123(4) 3_545
Al8 Co1 2.46979(16) 5_566
Al8 Co1 2.46979(15) 5_565
Al8 Co1 2.46979(15) 1_556
Al8 Al2 2.6337(6) 5_566
Al8 Al5 2.6404(6) 7_565
Al8 Al5 2.6404(6) 3_556
Al8 Al7 2.9123(4) 7_565
Al8 Al7 2.9123(4) 3_556
Al8 Al7 2.9123(4) 7_566
Al8 Al7 2.9123(4) 3
Al9 Co2 2.3507(3) 5
Al9 Al1 2.7888(4) 5
Al9 Al1 2.7888(4) 5_556
Al9 Al1 2.7888(4) 1_554
Al9 Al4 2.9233(4) 7_564
Al9 Al4 2.9233(4) 3_546
Al9 Al4 2.9233(4) 7_565
Al9 Al4 2.9233(4) 3_545
Al9 La1 3.29352(14) 3_545
Al9 La1 3.29352(14) 7_565
