#------------------------------------------------------------------------------
#$Date: 2015-07-08 23:43:11 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141347 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343328.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_4343328
loop_
_publ_author_name
'Ade, Martin'
'Hillebrecht, Harald'
_publ_section_title
;
 Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the
 Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary
 Borides as MAB-Phases.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6122
_journal_page_last               6135
_journal_paper_doi               10.1021/acs.inorgchem.5b00049
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Al B4 Cr3'
_chemical_formula_weight         226.22
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           47
_space_group_name_Hall           '-P 2 2'
_space_group_name_H-M_alt        'P m m m'
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   2.9556(4)
_cell_length_b                   2.9778(5)
_cell_length_c                   8.0539(14)
_cell_measurement_reflns_used    1557
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70
_cell_measurement_theta_min      6
_cell_volume                     70.88(2)
_computing_cell_refinement       'Software for IPDS-II, Fa. Stoe'
_computing_data_collection       'Software for IPDS-II, Fa. Stoe'
_computing_data_reduction        'Software for IPDS-II, Fa. Stoe'
_computing_molecular_graphics    'Diamond (Crystal impact, 2005)'
_computing_publication_material  'SHELXL-97_(Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
; 
0 degree < omega < 200 degree
psi = 0 degree,
delta omega 2 degree
exposure time 180s 
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_laue_measured_fraction_full 0.970
_diffrn_reflns_laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1557
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.962
_diffrn_reflns_theta_min         6.854
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.00
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    11.280
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red and X-SHAPE  (Stoe & Cie, 1999)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.299
_exptl_crystal_description       flat_rod
_exptl_crystal_F_000             105
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   0.632
_exptl_transmission_factor_min   0.388
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       0.029(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.916
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0193
_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)+(0.0375P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0469
_refine_ls_wR_factor_ref         0.0474
_reflns_Friedel_coverage         0.000
_reflns_number_gt                183
_reflns_number_total             214
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Cr3AlB4.cif
_cod_data_source_block           Cr3AlB4
_cod_depositor_comments
'Adding full bibliography for 4343328--4343335.cif.'
_cod_database_code               4343328
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, 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
Cr2 Cr 0.5000 0.0000 0.0000 0.00641(18) Uani 1 8 d S T P
Cr1 Cr 0.0000 0.0000 0.29923(7) 0.00510(16) Uani 1 4 d S T P
Al1 Al -0.5000 -0.5000 0.5000 0.0068(3) Uani 1 8 d S T P
B1 B 0.0000 -0.5000 0.1077(5) 0.0062(6) Uani 1 4 d S T P
B2 B 0.5000 -0.5000 0.2214(5) 0.0059(6) 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
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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
B1 Cr2 B1 180.00(18) 5_545 1_665
B1 Cr2 B1 135.07(18) 5_545 5_655
B1 Cr2 B1 44.93(18) 1_665 5_655
B1 Cr2 B1 81.97(7) 5_545 5
B1 Cr2 B1 98.03(7) 1_665 5
B1 Cr2 B1 81.23(6) 5_655 5
B1 Cr2 B1 81.23(6) 5_545 5_645
B1 Cr2 B1 98.77(6) 1_665 5_645
B1 Cr2 B1 81.97(7) 5_655 5_645
B1 Cr2 B1 135.07(18) 5 5_645
B1 Cr2 B1 98.77(6) 5_545 1_565
B1 Cr2 B1 81.23(6) 1_665 1_565
B1 Cr2 B1 98.03(7) 5_655 1_565
B1 Cr2 B1 44.93(18) 5 1_565
B1 Cr2 B1 180.00(18) 5_645 1_565
B1 Cr2 B1 98.03(7) 5_545 1_655
B1 Cr2 B1 81.97(7) 1_665 1_655
B1 Cr2 B1 98.77(6) 5_655 1_655
B1 Cr2 B1 180.00(18) 5 1_655
B1 Cr2 B1 44.93(18) 5_645 1_655
B1 Cr2 B1 135.07(18) 1_565 1_655
B1 Cr2 B1 44.93(18) 5_545 .
B1 Cr2 B1 135.07(18) 1_665 .
B1 Cr2 B1 180.0 5_655 .
B1 Cr2 B1 98.77(6) 5 .
B1 Cr2 B1 98.03(7) 5_645 .
B1 Cr2 B1 81.97(7) 1_565 .
B1 Cr2 B1 81.23(6) 1_655 .
B1 Cr2 B2 44.46(7) 5_545 5_645
B1 Cr2 B2 135.54(7) 1_665 5_645
B1 Cr2 B2 97.30(9) 5_655 5_645
B1 Cr2 B2 97.30(9) 5 5_645
B1 Cr2 B2 44.46(7) 5_645 5_645
B1 Cr2 B2 135.54(7) 1_565 5_645
B1 Cr2 B2 82.70(9) 1_655 5_645
B1 Cr2 B2 82.70(9) . 5_645
B1 Cr2 B2 135.54(7) 5_545 1_565
B1 Cr2 B2 44.46(7) 1_665 1_565
B1 Cr2 B2 82.70(9) 5_655 1_565
B1 Cr2 B2 82.70(9) 5 1_565
B1 Cr2 B2 135.54(7) 5_645 1_565
B1 Cr2 B2 44.46(7) 1_565 1_565
B1 Cr2 B2 97.30(9) 1_655 1_565
B1 Cr2 B2 97.30(9) . 1_565
B2 Cr2 B2 180.00(11) 5_645 1_565
B1 Cr2 B2 97.30(9) 5_545 5_655
B1 Cr2 B2 82.70(9) 1_665 5_655
B1 Cr2 B2 44.46(7) 5_655 5_655
B1 Cr2 B2 44.46(7) 5 5_655
B1 Cr2 B2 97.30(9) 5_645 5_655
B1 Cr2 B2 82.70(9) 1_565 5_655
B1 Cr2 B2 135.54(7) 1_655 5_655
B1 Cr2 B2 135.54(7) . 5_655
B2 Cr2 B2 79.73(12) 5_645 5_655
B2 Cr2 B2 100.27(12) 1_565 5_655
B1 Cr2 B2 82.70(9) 5_545 .
B1 Cr2 B2 97.30(9) 1_665 .
B1 Cr2 B2 135.54(7) 5_655 .
B1 Cr2 B2 135.54(7) 5 .
B1 Cr2 B2 82.70(9) 5_645 .
B1 Cr2 B2 97.30(9) 1_565 .
B1 Cr2 B2 44.46(7) 1_655 .
B1 Cr2 B2 44.46(7) . .
B2 Cr2 B2 100.27(12) 5_645 .
B2 Cr2 B2 79.73(12) 1_565 .
B2 Cr2 B2 180.0 5_655 .
B1 Cr1 B1 87.97(15) . 1_565
B1 Cr1 B2 47.29(7) . .
B1 Cr1 B2 105.44(10) 1_565 .
B1 Cr1 B2 47.29(7) . 1_455
B1 Cr1 B2 105.44(10) 1_565 1_455
B2 Cr1 B2 84.90(5) . 1_455
B1 Cr1 B2 105.44(10) . 1_565
B1 Cr1 B2 47.29(7) 1_565 1_565
B2 Cr1 B2 85.69(5) . 1_565
B2 Cr1 B2 146.72(19) 1_455 1_565
B1 Cr1 B2 105.44(10) . 1_465
B1 Cr1 B2 47.29(7) 1_565 1_465
B2 Cr1 B2 146.72(19) . 1_465
B2 Cr1 B2 85.69(5) 1_455 1_465
B2 Cr1 B2 84.90(5) 1_565 1_465
B1 Cr1 Al1 146.063(7) . 1_665
B1 Cr1 Al1 92.80(6) 1_565 1_665
B2 Cr1 Al1 100.40(6) . 1_665
B2 Cr1 Al1 159.02(10) 1_455 1_665
B2 Cr1 Al1 54.27(9) 1_565 1_665
B2 Cr1 Al1 99.74(6) 1_465 1_665
B1 Cr1 Al1 146.063(7) . 1_565
B1 Cr1 Al1 92.80(6) 1_565 1_565
B2 Cr1 Al1 159.01(10) . 1_565
B2 Cr1 Al1 100.40(6) 1_455 1_565
B2 Cr1 Al1 99.74(6) 1_565 1_565
B2 Cr1 Al1 54.27(9) 1_465 1_565
Al1 Cr1 Al1 67.827(14) 1_665 1_565
B1 Cr1 Al1 92.80(6) . 1_655
B1 Cr1 Al1 146.063(7) 1_565 1_655
B2 Cr1 Al1 54.27(9) . 1_655
B2 Cr1 Al1 99.74(6) 1_455 1_655
B2 Cr1 Al1 100.40(6) 1_565 1_655
B2 Cr1 Al1 159.02(10) 1_465 1_655
Al1 Cr1 Al1 68.407(15) 1_665 1_655
Al1 Cr1 Al1 104.75(2) 1_565 1_655
B1 Cr1 Al1 92.80(6) . .
B1 Cr1 Al1 146.063(7) 1_565 .
B2 Cr1 Al1 99.74(6) . .
B2 Cr1 Al1 54.27(9) 1_455 .
B2 Cr1 Al1 159.02(10) 1_565 .
B2 Cr1 Al1 100.40(6) 1_465 .
Al1 Cr1 Al1 104.75(2) 1_665 .
Al1 Cr1 Al1 68.407(15) 1_565 .
Al1 Cr1 Al1 67.827(14) 1_655 .
B1 Cr1 Cr2 52.17(6) . 1_455
B1 Cr1 Cr2 52.17(6) 1_565 1_455
B2 Cr1 Cr2 96.24(9) . 1_455
B2 Cr1 Cr2 53.35(8) 1_455 1_455
B2 Cr1 Cr2 96.24(9) 1_565 1_455
B2 Cr1 Cr2 53.35(8) 1_465 1_455
Al1 Cr1 Cr2 144.302(10) 1_665 1_455
Al1 Cr1 Cr2 103.225(11) 1_565 1_455
Al1 Cr1 Cr2 144.302(10) 1_655 1_455
Al1 Cr1 Cr2 103.225(11) . 1_455
B1 Cr1 Cr2 52.17(6) . .
B1 Cr1 Cr2 52.17(5) 1_565 .
B2 Cr1 Cr2 53.35(8) . .
B2 Cr1 Cr2 96.24(9) 1_455 .
B2 Cr1 Cr2 53.35(8) 1_565 .
B2 Cr1 Cr2 96.24(9) 1_465 .
Al1 Cr1 Cr2 103.225(11) 1_665 .
Al1 Cr1 Cr2 144.302(10) 1_565 .
Al1 Cr1 Cr2 103.225(11) 1_655 .
Al1 Cr1 Cr2 144.302(10) . .
Cr2 Cr1 Cr2 63.034(16) 1_455 .
B2 Al1 B2 180.0 5_546 1_455
B2 Al1 Cr1 127.626(11) 5_546 .
B2 Al1 Cr1 52.374(11) 1_455 .
B2 Al1 Cr1 127.626(11) 5_546 1_445
B2 Al1 Cr1 52.374(11) 1_455 1_445
Cr1 Al1 Cr1 104.75(2) . 1_445
B2 Al1 Cr1 52.374(11) 5_546 5_556
B2 Al1 Cr1 127.626(11) 1_455 5_556
Cr1 Al1 Cr1 75.25(2) . 5_556
Cr1 Al1 Cr1 180.000(19) 1_445 5_556
B2 Al1 Cr1 127.626(11) 5_546 1_545
B2 Al1 Cr1 52.374(11) 1_455 1_545
Cr1 Al1 Cr1 68.407(15) . 1_545
Cr1 Al1 Cr1 67.827(14) 1_445 1_545
Cr1 Al1 Cr1 112.173(14) 5_556 1_545
B2 Al1 Cr1 52.374(11) 5_546 5_546
B2 Al1 Cr1 127.626(11) 1_455 5_546
Cr1 Al1 Cr1 112.173(14) . 5_546
Cr1 Al1 Cr1 111.593(14) 1_445 5_546
Cr1 Al1 Cr1 68.407(15) 5_556 5_546
Cr1 Al1 Cr1 75.25(2) 1_545 5_546
B2 Al1 Cr1 52.374(11) 5_546 5_456
B2 Al1 Cr1 127.626(11) 1_455 5_456
Cr1 Al1 Cr1 111.593(15) . 5_456
Cr1 Al1 Cr1 112.173(14) 1_445 5_456
Cr1 Al1 Cr1 67.827(14) 5_556 5_456
Cr1 Al1 Cr1 180.000(19) 1_545 5_456
Cr1 Al1 Cr1 104.75(2) 5_546 5_456
B2 Al1 Cr1 127.626(11) 5_546 1_455
B2 Al1 Cr1 52.374(11) 1_455 1_455
Cr1 Al1 Cr1 67.827(14) . 1_455
Cr1 Al1 Cr1 68.407(15) 1_445 1_455
Cr1 Al1 Cr1 111.593(14) 5_556 1_455
Cr1 Al1 Cr1 104.75(2) 1_545 1_455
Cr1 Al1 Cr1 180.0 5_546 1_455
Cr1 Al1 Cr1 75.25(2) 5_456 1_455
B2 Al1 Cr1 52.374(11) 5_546 5_446
B2 Al1 Cr1 127.626(11) 1_455 5_446
Cr1 Al1 Cr1 180.0 . 5_446
Cr1 Al1 Cr1 75.25(2) 1_445 5_446
Cr1 Al1 Cr1 104.75(2) 5_556 5_446
Cr1 Al1 Cr1 111.593(15) 1_545 5_446
Cr1 Al1 Cr1 67.827(14) 5_546 5_446
Cr1 Al1 Cr1 68.407(15) 5_456 5_446
Cr1 Al1 Cr1 112.173(14) 1_455 5_446
B2 Al1 Al1 90.0 5_546 1_455
B2 Al1 Al1 90.0 1_455 1_455
Cr1 Al1 Al1 123.914(7) . 1_455
Cr1 Al1 Al1 56.087(7) 1_445 1_455
Cr1 Al1 Al1 123.913(7) 5_556 1_455
Cr1 Al1 Al1 123.913(7) 1_545 1_455
Cr1 Al1 Al1 123.913(7) 5_546 1_455
Cr1 Al1 Al1 56.087(7) 5_456 1_455
Cr1 Al1 Al1 56.087(7) 1_455 1_455
Cr1 Al1 Al1 56.087(7) 5_446 1_455
B2 Al1 Al1 90.0 5_546 1_655
B2 Al1 Al1 90.0 1_455 1_655
Cr1 Al1 Al1 56.086(7) . 1_655
Cr1 Al1 Al1 123.913(7) 1_445 1_655
Cr1 Al1 Al1 56.087(7) 5_556 1_655
Cr1 Al1 Al1 56.087(7) 1_545 1_655
Cr1 Al1 Al1 56.087(7) 5_546 1_655
Cr1 Al1 Al1 123.913(7) 5_456 1_655
Cr1 Al1 Al1 123.913(7) 1_455 1_655
Cr1 Al1 Al1 123.913(7) 5_446 1_655
Al1 Al1 Al1 180.0 1_455 1_655
B1 B1 B2 121.78(14) 5_545 1_455
B1 B1 B2 121.78(14) 5_545 .
B2 B1 B2 116.4(3) 1_455 .
B1 B1 Cr1 136.01(7) 5_545 1_545
B2 B1 Cr1 67.73(12) 1_455 1_545
B2 B1 Cr1 67.73(12) . 1_545
B1 B1 Cr1 136.01(7) 5_545 .
B2 B1 Cr1 67.73(12) 1_455 .
B2 B1 Cr1 67.73(12) . .
Cr1 B1 Cr1 87.97(15) 1_545 .
B1 B1 Cr2 67.54(9) 5_545 1_445
B2 B1 Cr2 69.38(7) 1_455 1_445
B2 B1 Cr2 138.99(4) . 1_445
Cr1 B1 Cr2 79.60(3) 1_545 1_445
Cr1 B1 Cr2 136.92(8) . 1_445
B1 B1 Cr2 67.54(9) 5_545 .
B2 B1 Cr2 138.99(4) 1_455 .
B2 B1 Cr2 69.38(7) . .
Cr1 B1 Cr2 136.92(8) 1_545 .
Cr1 B1 Cr2 79.60(3) . .
Cr2 B1 Cr2 135.07(18) 1_445 .
B1 B1 Cr2 67.54(9) 5_545 1_545
B2 B1 Cr2 138.99(4) 1_455 1_545
B2 B1 Cr2 69.38(7) . 1_545
Cr1 B1 Cr2 79.60(3) 1_545 1_545
Cr1 B1 Cr2 136.92(8) . 1_545
Cr2 B1 Cr2 81.23(6) 1_445 1_545
Cr2 B1 Cr2 81.97(7) . 1_545
B1 B1 Cr2 67.54(9) 5_545 1_455
B2 B1 Cr2 69.38(7) 1_455 1_455
B2 B1 Cr2 138.99(4) . 1_455
Cr1 B1 Cr2 136.92(8) 1_545 1_455
Cr1 B1 Cr2 79.60(3) . 1_455
Cr2 B1 Cr2 81.97(7) 1_445 1_455
Cr2 B1 Cr2 81.23(6) . 1_455
Cr2 B1 Cr2 135.07(18) 1_545 1_455
B1 B2 B1 116.4(3) . 1_655
B1 B2 Cr1 136.43(6) . 1_655
B1 B2 Cr1 64.98(7) 1_655 1_655
B1 B2 Cr1 64.98(7) . 1_545
B1 B2 Cr1 136.43(6) 1_655 1_545
Cr1 B2 Cr1 146.72(19) 1_655 1_545
B1 B2 Cr1 136.43(6) . 1_645
B1 B2 Cr1 64.98(7) 1_655 1_645
Cr1 B2 Cr1 85.69(5) 1_655 1_645
Cr1 B2 Cr1 84.90(5) 1_545 1_645
B1 B2 Cr1 64.98(7) . .
B1 B2 Cr1 136.43(6) 1_655 .
Cr1 B2 Cr1 84.90(5) 1_655 .
Cr1 B2 Cr1 85.69(5) 1_545 .
Cr1 B2 Cr1 146.72(19) 1_645 .
B1 B2 Al1 121.78(14) . 1_655
B1 B2 Al1 121.78(14) 1_655 1_655
Cr1 B2 Al1 73.36(9) 1_655 1_655
Cr1 B2 Al1 73.36(9) 1_545 1_655
Cr1 B2 Al1 73.36(9) 1_645 1_655
Cr1 B2 Al1 73.36(9) . 1_655
B1 B2 Cr2 66.16(12) . 1_545
B1 B2 Cr2 66.16(12) 1_655 1_545
Cr1 B2 Cr2 130.97(10) 1_655 1_545
Cr1 B2 Cr2 77.52(4) 1_545 1_545
Cr1 B2 Cr2 77.52(4) 1_645 1_545
Cr1 B2 Cr2 130.97(10) . 1_545
Al1 B2 Cr2 140.14(6) 1_655 1_545
B1 B2 Cr2 66.16(12) . .
B1 B2 Cr2 66.16(12) 1_655 .
Cr1 B2 Cr2 77.52(4) 1_655 .
Cr1 B2 Cr2 130.97(10) 1_545 .
Cr1 B2 Cr2 130.97(10) 1_645 .
Cr1 B2 Cr2 77.52(4) . .
Al1 B2 Cr2 140.14(6) 1_655 .
Cr2 B2 Cr2 79.73(12) 1_545 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr2 B1 2.2700(15) 5_545
Cr2 B1 2.2700(15) 1_665
Cr2 B1 2.2700(15) 5_655
Cr2 B1 2.2700(15) 5
Cr2 B1 2.2700(15) 5_645
Cr2 B1 2.2700(15) 1_565
Cr2 B1 2.2700(15) 1_655
Cr2 B1 2.2700(15) .
Cr2 B2 2.323(3) 5_645
Cr2 B2 2.323(3) 1_565
Cr2 B2 2.323(3) 5_655
Cr2 B2 2.323(3) .
Cr1 B1 2.144(3) .
Cr1 B1 2.144(3) 1_565
Cr1 B2 2.1895(11) .
Cr1 B2 2.1895(11) 1_455
Cr1 B2 2.1895(11) 1_565
Cr1 B2 2.1895(11) 1_465
Cr1 Al1 2.6487(4) 1_665
Cr1 Al1 2.6487(4) 1_565
Cr1 Al1 2.6487(4) 1_655
Cr1 Al1 2.6487(4) .
Cr1 Cr2 2.8270(6) 1_455
Al1 B2 2.244(4) 5_546
Al1 B2 2.244(4) 1_455
Al1 Cr1 2.6487(4) 1_445
Al1 Cr1 2.6487(4) 5_556
Al1 Cr1 2.6487(4) 1_545
Al1 Cr1 2.6487(4) 5_546
Al1 Cr1 2.6487(4) 5_456
Al1 Cr1 2.6487(4) 1_455
Al1 Cr1 2.6487(4) 5_446
Al1 Al1 2.9556(4) 1_455
Al1 Al1 2.9556(4) 1_655
B1 B1 1.735(8) 5_545
B1 B2 1.738(3) 1_455
B1 B2 1.738(3) .
B1 Cr1 2.144(3) 1_545
B1 Cr2 2.2700(15) 1_445
B1 Cr2 2.2700(15) 1_545
B1 Cr2 2.2700(15) 1_455
B2 B1 1.738(3) 1_655
B2 Cr1 2.1895(11) 1_655
B2 Cr1 2.1895(11) 1_545
B2 Cr1 2.1895(11) 1_645
B2 Al1 2.244(4) 1_655
B2 Cr2 2.323(3) 1_545
