#------------------------------------------------------------------------------
#$Date: 2015-07-08 23:43:11 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141347 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343332.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_4343332
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 B6 Cr4'
_chemical_formula_weight         299.84
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-C 2 2'
_space_group_name_H-M_alt        'C m m m'
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.9517(4)
_cell_length_b                   21.280(3)
_cell_length_c                   3.0130(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35
_cell_measurement_theta_min      4
_cell_volume                     189.25(4)
_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 0.992
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
; 
0 degree < omega < 180 degree
psi = 0
delta omega 2 degree
exposure time 360s 
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_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     0.0579
_diffrn_reflns_laue_measured_fraction_full 0.992
_diffrn_reflns_laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            1874
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         34.624
_diffrn_reflns_theta_min         3.830
_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    11.190
_exptl_absorpt_correction_T_max  0.299
_exptl_absorpt_correction_T_min  0.184
_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    5.262
_exptl_crystal_description       irregular_fragment
_exptl_crystal_F_000             278
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   0.299
_exptl_transmission_factor_min   0.184
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.188
_refine_ls_extinction_coef       0.046(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.797
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_reflns         278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.797
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0257
_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)+(0.0107P)²+1.1470P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0382
_refine_ls_wR_factor_ref         0.0413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                208
_reflns_number_total             278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Cr4AlB6.cif
_cod_data_source_block           Cr4AlB6
_cod_depositor_comments
'Adding full bibliography for 4343328--4343335.cif.'
_cod_original_cell_volume        189.26(4)
_cod_database_code               4343332
_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+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -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
Cr1 Cr 0.0000 0.07634(4) 0.0000 0.0038(2) Uani 1 4 d S T P
Cr2 Cr -0.5000 0.18844(4) 0.0000 0.0051(2) Uani 1 4 d S T P
Al Al -0.5000 0.0000 -0.5000 0.0063(4) Uani 1 8 d S T P
B1 B -0.5000 0.1050(2) -0.5000 0.0040(11) Uani 1 4 d S T P
B2 B 0.0000 0.1481(3) -0.5000 0.0062(11) Uani 1 4 d S T P
B3 B 0.0000 0.2298(2) -0.5000 0.0066(19) Uani 1.04(4) 4 d S T .
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
B2 Cr1 B2 89.2(2) 1_556 .
B2 Cr1 B1 106.49(14) 1_556 .
B2 Cr1 B1 47.18(10) . .
B2 Cr1 B1 47.18(10) 1_556 1_656
B2 Cr1 B1 106.49(14) . 1_656
B1 Cr1 B1 147.7(3) . 1_656
B2 Cr1 B1 47.18(10) 1_556 1_556
B2 Cr1 B1 106.49(14) . 1_556
B1 Cr1 B1 86.66(7) . 1_556
B1 Cr1 B1 84.48(7) 1_656 1_556
B2 Cr1 B1 106.49(14) 1_556 1_655
B2 Cr1 B1 47.18(10) . 1_655
B1 Cr1 B1 84.48(7) . 1_655
B1 Cr1 B1 86.66(7) 1_656 1_655
B1 Cr1 B1 147.7(3) 1_556 1_655
B2 Cr1 Al 146.291(9) 1_556 .
B2 Cr1 Al 92.14(9) . .
B1 Cr1 Al 53.74(13) . .
B1 Cr1 Al 158.53(13) 1_656 .
B1 Cr1 Al 100.68(7) 1_556 .
B1 Cr1 Al 98.86(8) 1_655 .
B2 Cr1 Al 146.291(9) 1_556 1_655
B2 Cr1 Al 92.14(9) . 1_655
B1 Cr1 Al 98.86(8) . 1_655
B1 Cr1 Al 100.68(7) 1_656 1_655
B1 Cr1 Al 158.53(13) 1_556 1_655
B1 Cr1 Al 53.74(13) 1_655 1_655
Al Cr1 Al 67.337(17) . 1_655
B2 Cr1 Al 92.13(9) 1_556 1_656
B2 Cr1 Al 146.291(9) . 1_656
B1 Cr1 Al 158.53(13) . 1_656
B1 Cr1 Al 53.74(13) 1_656 1_656
B1 Cr1 Al 98.86(8) 1_556 1_656
B1 Cr1 Al 100.68(7) 1_655 1_656
Al Cr1 Al 104.78(3) . 1_656
Al Cr1 Al 68.930(17) 1_655 1_656
B2 Cr1 Al 92.13(9) 1_556 1_556
B2 Cr1 Al 146.291(9) . 1_556
B1 Cr1 Al 100.67(7) . 1_556
B1 Cr1 Al 98.86(8) 1_656 1_556
B1 Cr1 Al 53.74(13) 1_556 1_556
B1 Cr1 Al 158.53(13) 1_655 1_556
Al Cr1 Al 68.930(16) . 1_556
Al Cr1 Al 104.78(3) 1_655 1_556
Al Cr1 Al 67.337(17) 1_656 1_556
B2 Cr1 Cr2 52.73(8) 1_556 1_655
B2 Cr1 Cr2 52.73(8) . 1_655
B1 Cr1 Cr2 96.74(12) . 1_655
B1 Cr1 Cr2 53.84(11) 1_656 1_655
B1 Cr1 Cr2 96.74(12) 1_556 1_655
B1 Cr1 Cr2 53.84(11) 1_655 1_655
Al Cr1 Cr2 144.159(14) . 1_655
Al Cr1 Cr2 103.136(12) 1_655 1_655
Al Cr1 Cr2 103.136(12) 1_656 1_655
Al Cr1 Cr2 144.159(14) 1_556 1_655
B2 Cr1 Cr2 52.73(8) 1_556 .
B2 Cr1 Cr2 52.73(8) . .
B1 Cr1 Cr2 53.84(11) . .
B1 Cr1 Cr2 96.74(12) 1_656 .
B1 Cr1 Cr2 53.84(11) 1_556 .
B1 Cr1 Cr2 96.74(12) 1_655 .
Al Cr1 Cr2 103.136(13) . .
Al Cr1 Cr2 144.159(14) 1_655 .
Al Cr1 Cr2 144.159(14) 1_656 .
Al Cr1 Cr2 103.136(13) 1_556 .
Cr2 Cr1 Cr2 63.49(3) 1_655 .
B2 Cr2 B2 80.82(9) . 1_455
B2 Cr2 B2 82.87(10) . 1_556
B2 Cr2 B2 135.8(3) 1_455 1_556
B2 Cr2 B2 135.8(3) . 1_456
B2 Cr2 B2 82.87(10) 1_455 1_456
B2 Cr2 B2 80.82(9) 1_556 1_456
B2 Cr2 B3 99.36(6) . 1_556
B2 Cr2 B3 179.5(2) 1_455 1_556
B2 Cr2 B3 44.79(16) 1_556 1_556
B2 Cr2 B3 97.33(6) 1_456 1_556
B2 Cr2 B3 97.33(6) . 1_455
B2 Cr2 B3 44.79(16) 1_455 1_455
B2 Cr2 B3 179.5(2) 1_556 1_455
B2 Cr2 B3 99.36(6) 1_456 1_455
B3 Cr2 B3 134.7(2) 1_556 1_455
B2 Cr2 B3 179.5(2) . 1_456
B2 Cr2 B3 99.36(6) 1_455 1_456
B2 Cr2 B3 97.33(6) 1_556 1_456
B2 Cr2 B3 44.79(16) 1_456 1_456
B3 Cr2 B3 80.44(9) 1_556 1_456
B3 Cr2 B3 82.47(9) 1_455 1_456
B2 Cr2 B3 44.79(16) . .
B2 Cr2 B3 97.33(6) 1_455 .
B2 Cr2 B3 99.36(6) 1_556 .
B2 Cr2 B3 179.5(2) 1_456 .
B3 Cr2 B3 82.47(9) 1_556 .
B3 Cr2 B3 80.44(9) 1_455 .
B3 Cr2 B3 134.7(2) 1_456 .
B2 Cr2 B3 135.88(10) . 13_455
B2 Cr2 B3 135.88(10) 1_455 13_455
B2 Cr2 B3 81.46(14) 1_556 13_455
B2 Cr2 B3 81.46(14) 1_456 13_455
B3 Cr2 B3 43.71(12) 1_556 13_455
B3 Cr2 B3 98.06(5) 1_455 13_455
B3 Cr2 B3 43.71(12) 1_456 13_455
B3 Cr2 B3 98.06(5) . 13_455
B2 Cr2 B3 81.46(14) . 13_454
B2 Cr2 B3 81.46(14) 1_455 13_454
B2 Cr2 B3 135.88(10) 1_556 13_454
B2 Cr2 B3 135.88(10) 1_456 13_454
B3 Cr2 B3 98.06(5) 1_556 13_454
B3 Cr2 B3 43.71(12) 1_455 13_454
B3 Cr2 B3 98.06(5) 1_456 13_454
B3 Cr2 B3 43.71(12) . 13_454
B3 Cr2 B3 81.79(17) 13_455 13_454
B2 Cr2 B1 98.11(15) . 1_556
B2 Cr2 B1 98.11(15) 1_455 1_556
B2 Cr2 B1 44.33(10) 1_556 1_556
B2 Cr2 B1 44.33(10) 1_456 1_556
B3 Cr2 B1 82.38(12) 1_556 1_556
B3 Cr2 B1 136.08(10) 1_455 1_556
B3 Cr2 B1 82.38(12) 1_456 1_556
B3 Cr2 B1 136.08(10) . 1_556
B3 Cr2 B1 98.78(12) 13_455 1_556
B3 Cr2 B1 179.42(12) 13_454 1_556
B2 Cr2 B1 44.33(10) . .
B2 Cr2 B1 44.33(10) 1_455 .
B2 Cr2 B1 98.11(15) 1_556 .
B2 Cr2 B1 98.11(15) 1_456 .
B3 Cr2 B1 136.08(10) 1_556 .
B3 Cr2 B1 82.38(12) 1_455 .
B3 Cr2 B1 136.08(10) 1_456 .
B3 Cr2 B1 82.38(12) . .
B3 Cr2 B1 179.42(12) 13_455 .
B3 Cr2 B1 98.79(12) 13_454 .
B1 Cr2 B1 80.64(16) 1_556 .
B1 Al B1 180.0 . 9_454
B1 Al Cr1 52.392(15) . .
B1 Al Cr1 127.608(15) 9_454 .
B1 Al Cr1 127.608(15) . 9_454
B1 Al Cr1 52.392(15) 9_454 9_454
Cr1 Al Cr1 180.0 . 9_454
B1 Al Cr1 52.392(15) . 1_454
B1 Al Cr1 127.608(15) 9_454 1_454
Cr1 Al Cr1 104.78(3) . 1_454
Cr1 Al Cr1 75.22(3) 9_454 1_454
B1 Al Cr1 52.392(15) . 1_455
B1 Al Cr1 127.608(15) 9_454 1_455
Cr1 Al Cr1 67.337(17) . 1_455
Cr1 Al Cr1 112.663(17) 9_454 1_455
Cr1 Al Cr1 68.930(17) 1_454 1_455
B1 Al Cr1 52.392(15) . 1_554
B1 Al Cr1 127.608(15) 9_454 1_554
Cr1 Al Cr1 68.930(16) . 1_554
Cr1 Al Cr1 111.070(16) 9_454 1_554
Cr1 Al Cr1 67.337(17) 1_454 1_554
Cr1 Al Cr1 104.78(3) 1_455 1_554
B1 Al Cr1 127.608(15) . 9_554
B1 Al Cr1 52.392(15) 9_454 9_554
Cr1 Al Cr1 112.663(17) . 9_554
Cr1 Al Cr1 67.337(17) 9_454 9_554
Cr1 Al Cr1 111.070(17) 1_454 9_554
Cr1 Al Cr1 180.00(3) 1_455 9_554
Cr1 Al Cr1 75.22(3) 1_554 9_554
B1 Al Cr1 127.608(15) . 9_455
B1 Al Cr1 52.392(15) 9_454 9_455
Cr1 Al Cr1 111.070(16) . 9_455
Cr1 Al Cr1 68.930(17) 9_454 9_455
Cr1 Al Cr1 112.663(17) 1_454 9_455
Cr1 Al Cr1 75.22(3) 1_455 9_455
Cr1 Al Cr1 180.00(3) 1_554 9_455
Cr1 Al Cr1 104.78(3) 9_554 9_455
B1 Al Cr1 127.608(15) . 9
B1 Al Cr1 52.392(15) 9_454 9
Cr1 Al Cr1 75.22(3) . 9
Cr1 Al Cr1 104.78(3) 9_454 9
Cr1 Al Cr1 180.00(3) 1_454 9
Cr1 Al Cr1 111.070(17) 1_455 9
Cr1 Al Cr1 112.663(17) 1_554 9
Cr1 Al Cr1 68.930(17) 9_554 9
Cr1 Al Cr1 67.337(17) 9_455 9
B1 Al Al 90.0 . 1_455
B1 Al Al 90.0 9_454 1_455
Cr1 Al Al 123.669(8) . 1_455
Cr1 Al Al 56.331(8) 9_454 1_455
Cr1 Al Al 56.331(8) 1_454 1_455
Cr1 Al Al 56.331(8) 1_455 1_455
Cr1 Al Al 123.669(8) 1_554 1_455
Cr1 Al Al 123.669(8) 9_554 1_455
Cr1 Al Al 56.331(8) 9_455 1_455
Cr1 Al Al 123.669(8) 9 1_455
B1 Al Al 90.0 . 1_655
B1 Al Al 90.0 9_454 1_655
Cr1 Al Al 56.331(8) . 1_655
Cr1 Al Al 123.669(8) 9_454 1_655
Cr1 Al Al 123.669(8) 1_454 1_655
Cr1 Al Al 123.669(8) 1_455 1_655
Cr1 Al Al 56.331(8) 1_554 1_655
Cr1 Al Al 56.331(8) 9_554 1_655
Cr1 Al Al 123.669(8) 9_455 1_655
Cr1 Al Al 56.331(8) 9 1_655
Al Al Al 180.0 1_455 1_655
B2 B1 B2 116.2(4) 1_455 .
B2 B1 Cr1 64.91(10) 1_455 1_454
B2 B1 Cr1 135.86(9) . 1_454
B2 B1 Cr1 64.91(10) 1_455 1_455
B2 B1 Cr1 135.86(9) . 1_455
Cr1 B1 Cr1 86.66(7) 1_454 1_455
B2 B1 Cr1 135.86(9) 1_455 1_554
B2 B1 Cr1 64.91(10) . 1_554
Cr1 B1 Cr1 84.48(7) 1_454 1_554
Cr1 B1 Cr1 147.7(3) 1_455 1_554
B2 B1 Cr1 135.86(9) 1_455 .
B2 B1 Cr1 64.91(10) . .
Cr1 B1 Cr1 147.7(3) 1_454 .
Cr1 B1 Cr1 84.48(7) 1_455 .
Cr1 B1 Cr1 86.66(7) 1_554 .
B2 B1 Al 121.88(19) 1_455 .
B2 B1 Al 121.88(19) . .
Cr1 B1 Al 73.87(13) 1_454 .
Cr1 B1 Al 73.87(13) 1_455 .
Cr1 B1 Al 73.87(13) 1_554 .
Cr1 B1 Al 73.87(13) . .
B2 B1 Cr2 66.25(16) 1_455 1_554
B2 B1 Cr2 66.25(16) . 1_554
Cr1 B1 Cr2 76.58(6) 1_454 1_554
Cr1 B1 Cr2 130.99(14) 1_455 1_554
Cr1 B1 Cr2 76.58(6) 1_554 1_554
Cr1 B1 Cr2 130.99(14) . 1_554
Al B1 Cr2 139.68(8) . 1_554
B2 B1 Cr2 66.25(16) 1_455 .
B2 B1 Cr2 66.25(16) . .
Cr1 B1 Cr2 130.99(14) 1_454 .
Cr1 B1 Cr2 76.58(6) 1_455 .
Cr1 B1 Cr2 130.99(14) 1_554 .
Cr1 B1 Cr2 76.58(6) . .
Al B1 Cr2 139.68(8) . .
Cr2 B1 Cr2 80.64(16) 1_554 .
B1 B2 B1 116.2(4) 1_655 .
B1 B2 B3 121.88(19) 1_655 .
B1 B2 B3 121.88(19) . .
B1 B2 Cr1 67.91(16) 1_655 1_554
B1 B2 Cr1 67.91(16) . 1_554
B3 B2 Cr1 135.41(11) . 1_554
B1 B2 Cr1 67.91(16) 1_655 .
B1 B2 Cr1 67.91(16) . .
B3 B2 Cr1 135.41(11) . .
Cr1 B2 Cr1 89.2(2) 1_554 .
B1 B2 Cr2 69.41(10) 1_655 1_655
B1 B2 Cr2 138.54(6) . 1_655
B3 B2 Cr2 67.88(13) . 1_655
Cr1 B2 Cr2 137.12(13) 1_554 1_655
Cr1 B2 Cr2 78.67(4) . 1_655
B1 B2 Cr2 138.54(6) 1_655 1_554
B1 B2 Cr2 69.41(10) . 1_554
B3 B2 Cr2 67.88(13) . 1_554
Cr1 B2 Cr2 78.67(4) 1_554 1_554
Cr1 B2 Cr2 137.12(13) . 1_554
Cr2 B2 Cr2 135.8(3) 1_655 1_554
B1 B2 Cr2 69.41(10) 1_655 1_654
B1 B2 Cr2 138.54(6) . 1_654
B3 B2 Cr2 67.88(13) . 1_654
Cr1 B2 Cr2 78.67(4) 1_554 1_654
Cr1 B2 Cr2 137.12(13) . 1_654
Cr2 B2 Cr2 82.87(10) 1_655 1_654
Cr2 B2 Cr2 80.83(9) 1_554 1_654
B1 B2 Cr2 138.54(6) 1_655 .
B1 B2 Cr2 69.42(10) . .
B3 B2 Cr2 67.88(13) . .
Cr1 B2 Cr2 137.12(13) 1_554 .
Cr1 B2 Cr2 78.67(4) . .
Cr2 B2 Cr2 80.82(9) 1_655 .
Cr2 B2 Cr2 82.87(10) 1_554 .
Cr2 B2 Cr2 135.8(3) 1_654 .
B3 B3 B3 119.6(6) 13_554 13_454
B3 B3 B2 120.2(3) 13_554 .
B3 B3 B2 120.2(3) 13_454 .
B3 B3 Cr2 138.76(4) 13_554 .
B3 B3 Cr2 68.63(12) 13_454 .
B2 B3 Cr2 67.33(12) . .
B3 B3 Cr2 138.76(4) 13_554 1_554
B3 B3 Cr2 68.63(12) 13_454 1_554
B2 B3 Cr2 67.33(12) . 1_554
Cr2 B3 Cr2 82.47(9) . 1_554
B3 B3 Cr2 68.63(12) 13_554 1_655
B3 B3 Cr2 138.76(4) 13_454 1_655
B2 B3 Cr2 67.33(12) . 1_655
Cr2 B3 Cr2 80.44(9) . 1_655
Cr2 B3 Cr2 134.7(2) 1_554 1_655
B3 B3 Cr2 68.63(13) 13_554 1_654
B3 B3 Cr2 138.76(4) 13_454 1_654
B2 B3 Cr2 67.33(12) . 1_654
Cr2 B3 Cr2 134.7(2) . 1_654
Cr2 B3 Cr2 80.44(9) 1_554 1_654
Cr2 B3 Cr2 82.47(9) 1_655 1_654
B3 B3 Cr2 67.7(2) 13_554 13_455
B3 B3 Cr2 67.7(2) 13_454 13_455
B2 B3 Cr2 139.10(9) . 13_455
Cr2 B3 Cr2 81.94(5) . 13_455
Cr2 B3 Cr2 136.29(12) 1_554 13_455
Cr2 B3 Cr2 81.94(5) 1_655 13_455
Cr2 B3 Cr2 136.29(12) 1_654 13_455
B3 B3 Cr2 67.7(2) 13_554 13_454
B3 B3 Cr2 67.7(2) 13_454 13_454
B2 B3 Cr2 139.10(9) . 13_454
Cr2 B3 Cr2 136.29(12) . 13_454
Cr2 B3 Cr2 81.94(5) 1_554 13_454
Cr2 B3 Cr2 136.29(12) 1_655 13_454
Cr2 B3 Cr2 81.94(5) 1_654 13_454
Cr2 B3 Cr2 81.79(17) 13_455 13_454
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 B2 2.146(4) 1_556
Cr1 B2 2.146(4) .
Cr1 B1 2.1954(14) .
Cr1 B1 2.1954(14) 1_656
Cr1 B1 2.1954(14) 1_556
Cr1 B1 2.1954(14) 1_655
Cr1 Al 2.6621(5) .
Cr1 Al 2.6621(5) 1_655
Cr1 Al 2.6621(5) 1_656
Cr1 Al 2.6621(5) 1_556
Cr1 Cr2 2.8050(11) 1_655
Cr1 Cr2 2.8051(11) .
Cr2 B2 2.277(2) .
Cr2 B2 2.277(2) 1_455
Cr2 B2 2.277(2) 1_556
Cr2 B2 2.277(2) 1_456
Cr2 B3 2.286(2) 1_556
Cr2 B3 2.286(2) 1_455
Cr2 B3 2.286(2) 1_456
Cr2 B3 2.286(2) .
Cr2 B3 2.301(4) 13_455
Cr2 B3 2.301(4) 13_454
Cr2 B1 2.328(4) 1_556
Cr2 B1 2.328(4) .
Al B1 2.235(5) .
Al B1 2.235(5) 9_454
Al Cr1 2.6621(5) 9_454
Al Cr1 2.6621(5) 1_454
Al Cr1 2.6621(5) 1_455
Al Cr1 2.6621(5) 1_554
Al Cr1 2.6621(5) 9_554
Al Cr1 2.6621(5) 9_455
Al Cr1 2.6621(5) 9
Al Al 2.9517(4) 1_455
Al Al 2.9517(4) 1_655
B1 B2 1.738(4) 1_455
B1 B2 1.738(4) .
B1 Cr1 2.1954(14) 1_454
B1 Cr1 2.1954(14) 1_455
B1 Cr1 2.1954(14) 1_554
B1 Cr2 2.328(4) 1_554
B2 B1 1.738(4) 1_655
B2 B3 1.738(7) .
B2 Cr1 2.146(4) 1_554
B2 Cr2 2.277(2) 1_655
B2 Cr2 2.277(2) 1_554
B2 Cr2 2.277(2) 1_654
B3 B3 1.707(5) 13_554
B3 B3 1.707(5) 13_454
B3 Cr2 2.286(2) 1_554
B3 Cr2 2.286(2) 1_655
B3 Cr2 2.286(2) 1_654
B3 Cr2 2.301(4) 13_455
B3 Cr2 2.301(4) 13_454
