The structure described by Cr3C2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing CrC4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to two equivalent C(2) and three equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1) and six equivalent Cr(2) atoms. In the second C site, C(2) is bonded to two equivalent Cr(1) and four equivalent Cr(2) atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.811
_cell_length_b   4.802
_cell_length_c   6.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.018
_symmetry_Int_Tables_number   1
_cell_volume   88.293
_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  0.401  0.802  0.750  1.0
  Cr  Cr1  1  0.143  0.286  0.930  1.0
  Cr  Cr2  1  0.599  0.198  0.250  1.0
  Cr  Cr3  1  0.857  0.714  0.070  1.0
  Cr  Cr4  1  0.143  0.286  0.570  1.0
  Cr  Cr5  1  0.857  0.714  0.430  1.0
  C  C6  1  0.756  0.512  0.750  1.0
  C  C7  1  0.244  0.488  0.250  1.0
  C  C8  1  0.500  0.000  0.000  1.0
  C  C9  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by Cr3C2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing CrC4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to two equivalent C(2) and three equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1) and six equivalent Cr(2) atoms. In the second C site, C(2) is bonded to two equivalent Cr(1) and four equivalent Cr(2) atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.811
_cell_length_b   4.802
_cell_length_c   6.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.018
_symmetry_Int_Tables_number   1
_cell_volume   88.293
_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  0.401  0.802  0.750  1.0
  Cr  Cr1  1  0.143  0.286  0.930  1.0
  Cr  Cr2  1  0.599  0.198  0.250  1.0
  Cr  Cr3  1  0.857  0.714  0.070  1.0
  Cr  Cr4  1  0.143  0.286  0.570  1.0
  Cr  Cr5  1  0.857  0.714  0.430  1.0
  C  C6  1  0.756  0.512  0.750  1.0
  C  C7  1  0.244  0.488  0.250  1.0
  C  C8  1  0.500  0.000  0.000  1.0
  C  C9  1  0.500  0.000  0.500  1.0
[/CIF]
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