The structure described by Cr(MoB)2 crystallizes in the tetragonal P4/mbm space group. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1) and six equivalent B(1) atoms. Cr(1) is bonded to eight equivalent Mo(1) and four equivalent B(1) atoms to form a mixture of distorted face and corner-sharing CrB4Mo8 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Mo(1), two equivalent Cr(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Cr(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.808
_cell_length_c   3.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.049
_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  1.000  1.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.000  1.0
  B  B2  1  0.114  0.614  0.000  1.0
  B  B3  1  0.886  0.386  0.000  1.0
  B  B4  1  0.614  0.886  0.000  1.0
  B  B5  1  0.386  0.114  0.000  1.0
  Mo  Mo6  1  0.677  0.177  0.500  1.0
  Mo  Mo7  1  0.323  0.823  0.500  1.0
  Mo  Mo8  1  0.177  0.323  0.500  1.0
  Mo  Mo9  1  0.823  0.677  0.500  1.0
[/CIF]
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The structure described by Cr(MoB)2 crystallizes in the tetragonal P4/mbm space group. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1) and six equivalent B(1) atoms. Cr(1) is bonded to eight equivalent Mo(1) and four equivalent B(1) atoms to form a mixture of distorted face and corner-sharing CrB4Mo8 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Mo(1), two equivalent Cr(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Cr(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.808
_cell_length_c   3.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.049
_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  1.000  1.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.000  1.0
  B  B2  1  0.114  0.614  0.000  1.0
  B  B3  1  0.886  0.386  0.000  1.0
  B  B4  1  0.614  0.886  0.000  1.0
  B  B5  1  0.386  0.114  0.000  1.0
  Mo  Mo6  1  0.677  0.177  0.500  1.0
  Mo  Mo7  1  0.323  0.823  0.500  1.0
  Mo  Mo8  1  0.177  0.323  0.500  1.0
  Mo  Mo9  1  0.823  0.677  0.500  1.0
[/CIF]
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