The material described by MoCr22C6 crystallizes in the cubic Fm-3m space group. Mo(1) is bonded in a cuboctahedral geometry to twelve equivalent Cr(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted tetrahedral geometry to four equivalent Cr(2) atoms. In the second Cr site, Cr(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and three equivalent C(1) atoms. In the third Cr site, Cr(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Cr(2) and four equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr22MoC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   7.502
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.552
_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  0.750  0.750  0.750  1.0
  Cr  Cr1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.618  0.618  0.145  1.0
  Cr  Cr3  1  0.618  0.145  0.618  1.0
  Cr  Cr4  1  0.145  0.618  0.618  1.0
  Cr  Cr5  1  0.618  0.618  0.618  1.0
  Cr  Cr6  1  0.382  0.382  0.855  1.0
  Cr  Cr7  1  0.382  0.855  0.382  1.0
  Cr  Cr8  1  0.855  0.382  0.382  1.0
  Cr  Cr9  1  0.382  0.382  0.382  1.0
  Cr  Cr10  1  0.000  0.000  0.345  1.0
  Cr  Cr11  1  0.655  0.000  0.345  1.0
  Cr  Cr12  1  0.000  0.655  0.345  1.0
  Cr  Cr13  1  0.655  0.345  0.000  1.0
  Cr  Cr14  1  0.000  0.345  0.000  1.0
  Cr  Cr15  1  0.000  0.345  0.655  1.0
  Cr  Cr16  1  0.345  0.655  0.000  1.0
  Cr  Cr17  1  0.345  0.000  0.655  1.0
  Cr  Cr18  1  0.345  0.000  0.000  1.0
  Cr  Cr19  1  0.000  0.000  0.655  1.0
  Cr  Cr20  1  0.000  0.655  0.000  1.0
  Cr  Cr21  1  0.655  0.000  0.000  1.0
  Mo  Mo22  1  0.000  0.000  0.000  1.0
  C  C23  1  0.725  0.725  0.275  1.0
  C  C24  1  0.275  0.725  0.275  1.0
  C  C25  1  0.725  0.275  0.275  1.0
  C  C26  1  0.275  0.275  0.725  1.0
  C  C27  1  0.725  0.275  0.725  1.0
  C  C28  1  0.275  0.725  0.725  1.0
[/CIF]
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The material described by MoCr22C6 crystallizes in the cubic Fm-3m space group. Mo(1) is bonded in a cuboctahedral geometry to twelve equivalent Cr(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted tetrahedral geometry to four equivalent Cr(2) atoms. In the second Cr site, Cr(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and three equivalent C(1) atoms. In the third Cr site, Cr(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Cr(2) and four equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr22MoC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   7.502
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.552
_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  0.750  0.750  0.750  1.0
  Cr  Cr1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.618  0.618  0.145  1.0
  Cr  Cr3  1  0.618  0.145  0.618  1.0
  Cr  Cr4  1  0.145  0.618  0.618  1.0
  Cr  Cr5  1  0.618  0.618  0.618  1.0
  Cr  Cr6  1  0.382  0.382  0.855  1.0
  Cr  Cr7  1  0.382  0.855  0.382  1.0
  Cr  Cr8  1  0.855  0.382  0.382  1.0
  Cr  Cr9  1  0.382  0.382  0.382  1.0
  Cr  Cr10  1  0.000  0.000  0.345  1.0
  Cr  Cr11  1  0.655  0.000  0.345  1.0
  Cr  Cr12  1  0.000  0.655  0.345  1.0
  Cr  Cr13  1  0.655  0.345  0.000  1.0
  Cr  Cr14  1  0.000  0.345  0.000  1.0
  Cr  Cr15  1  0.000  0.345  0.655  1.0
  Cr  Cr16  1  0.345  0.655  0.000  1.0
  Cr  Cr17  1  0.345  0.000  0.655  1.0
  Cr  Cr18  1  0.345  0.000  0.000  1.0
  Cr  Cr19  1  0.000  0.000  0.655  1.0
  Cr  Cr20  1  0.000  0.655  0.000  1.0
  Cr  Cr21  1  0.655  0.000  0.000  1.0
  Mo  Mo22  1  0.000  0.000  0.000  1.0
  C  C23  1  0.725  0.725  0.275  1.0
  C  C24  1  0.275  0.725  0.275  1.0
  C  C25  1  0.725  0.275  0.275  1.0
  C  C26  1  0.275  0.275  0.725  1.0
  C  C27  1  0.725  0.275  0.725  1.0
  C  C28  1  0.275  0.725  0.725  1.0
[/CIF]
.