The compound described by Cr2(WB)3 crystallizes in the tetragonal I4cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1), two equivalent B(2), and three equivalent B(1) atoms. In the second W site, W(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one B(2), and four equivalent B(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent W(2), three equivalent W(1), two equivalent B(2), and three equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent W(2), three equivalent W(1), three equivalent Cr(1), and one B(1) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one W(2), four equivalent W(1), and four equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cr2(BW)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   6.682
_cell_angle_alpha   64.388
_cell_angle_beta   64.388
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.442
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.306  0.806  0.714  1.0
  Cr  Cr1  1  0.981  0.481  0.714  1.0
  Cr  Cr2  1  0.481  0.306  0.714  1.0
  Cr  Cr3  1  0.806  0.981  0.714  1.0
  B  B4  1  0.389  0.889  0.990  1.0
  B  B5  1  0.621  0.121  0.990  1.0
  B  B6  1  0.121  0.389  0.990  1.0
  B  B7  1  0.889  0.621  0.990  1.0
  B  B8  1  0.740  0.740  0.520  1.0
  B  B9  1  0.240  0.240  0.520  1.0
  W  W10  1  0.679  0.179  0.300  1.0
  W  W11  1  0.021  0.521  0.300  1.0
  W  W12  1  0.521  0.679  0.300  1.0
  W  W13  1  0.179  0.021  0.300  1.0
  W  W14  1  0.513  0.513  0.973  1.0
  W  W15  1  0.013  0.013  0.973  1.0
[/CIF]
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The compound described by Cr2(WB)3 crystallizes in the tetragonal I4cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1), two equivalent B(2), and three equivalent B(1) atoms. In the second W site, W(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one B(2), and four equivalent B(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent W(2), three equivalent W(1), two equivalent B(2), and three equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent W(2), three equivalent W(1), three equivalent Cr(1), and one B(1) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one W(2), four equivalent W(1), and four equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cr2(BW)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   6.682
_cell_angle_alpha   64.388
_cell_angle_beta   64.388
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.442
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.306  0.806  0.714  1.0
  Cr  Cr1  1  0.981  0.481  0.714  1.0
  Cr  Cr2  1  0.481  0.306  0.714  1.0
  Cr  Cr3  1  0.806  0.981  0.714  1.0
  B  B4  1  0.389  0.889  0.990  1.0
  B  B5  1  0.621  0.121  0.990  1.0
  B  B6  1  0.121  0.389  0.990  1.0
  B  B7  1  0.889  0.621  0.990  1.0
  B  B8  1  0.740  0.740  0.520  1.0
  B  B9  1  0.240  0.240  0.520  1.0
  W  W10  1  0.679  0.179  0.300  1.0
  W  W11  1  0.021  0.521  0.300  1.0
  W  W12  1  0.521  0.679  0.300  1.0
  W  W13  1  0.179  0.021  0.300  1.0
  W  W14  1  0.513  0.513  0.973  1.0
  W  W15  1  0.013  0.013  0.973  1.0
[/CIF]
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