The material structure described by Mo3Cr crystallizes in the trigonal R3m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to three equivalent Mo(2) and three equivalent Cr(1) atoms. In the second Mo site, Mo(2) is bonded to three equivalent Mo(1), three equivalent Mo(3), and six equivalent Mo(2) atoms to form a mixture of face, corner, and edge-sharing MoMo12 cuboctahedra. In the third Mo site, Mo(3) is bonded in a 3-coordinate geometry to three equivalent Mo(2) and three equivalent Cr(1) atoms. Cr(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Mo(3) atoms. is represented by the CIF card [CIF]
data_CrMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   2.929
_cell_length_c   8.403
_cell_angle_alpha   79.962
_cell_angle_beta   100.038
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.161
_cell_formula_units_Z   1
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  0.876  0.124  0.629  1.0
  Mo  Mo1  1  0.131  0.869  0.393  1.0
  Mo  Mo2  1  0.707  0.293  0.120  1.0
  Mo  Mo3  1  0.286  0.714  0.857  1.0
[/CIF]
.
The material structure described by Mo3Cr crystallizes in the trigonal R3m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to three equivalent Mo(2) and three equivalent Cr(1) atoms. In the second Mo site, Mo(2) is bonded to three equivalent Mo(1), three equivalent Mo(3), and six equivalent Mo(2) atoms to form a mixture of face, corner, and edge-sharing MoMo12 cuboctahedra. In the third Mo site, Mo(3) is bonded in a 3-coordinate geometry to three equivalent Mo(2) and three equivalent Cr(1) atoms. Cr(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Mo(3) atoms. is represented by the CIF card [CIF]
data_CrMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   2.929
_cell_length_c   8.403
_cell_angle_alpha   79.962
_cell_angle_beta   100.038
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.161
_cell_formula_units_Z   1
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  0.876  0.124  0.629  1.0
  Mo  Mo1  1  0.131  0.869  0.393  1.0
  Mo  Mo2  1  0.707  0.293  0.120  1.0
  Mo  Mo3  1  0.286  0.714  0.857  1.0
[/CIF]
.