The material structure described by Cr3C2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and three equivalent C(2) atoms. In the second Cr site, Cr(2) is bonded to one C(2) and four equivalent C(1) atoms to form a mixture of distorted corner, edge, and face-sharing CrC5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner, edge, and face-sharing CrC5 square pyramids. 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), two equivalent Cr(3), and four equivalent Cr(2) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Cr(2), three equivalent Cr(1), and three equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.788
_cell_length_b   5.441
_cell_length_c   11.389
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.773
_cell_formula_units_Z   4
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  0.013  0.597  1.0
  Cr  Cr1  1  0.250  0.987  0.403  1.0
  Cr  Cr2  1  0.750  0.513  0.903  1.0
  Cr  Cr3  1  0.250  0.487  0.097  1.0
  Cr  Cr4  1  0.250  0.813  0.774  1.0
  Cr  Cr5  1  0.750  0.187  0.226  1.0
  Cr  Cr6  1  0.250  0.313  0.726  1.0
  Cr  Cr7  1  0.750  0.687  0.274  1.0
  Cr  Cr8  1  0.250  0.133  0.931  1.0
  Cr  Cr9  1  0.750  0.867  0.069  1.0
  Cr  Cr10  1  0.250  0.633  0.569  1.0
  Cr  Cr11  1  0.750  0.367  0.431  1.0
  C  C12  1  0.750  0.599  0.703  1.0
  C  C13  1  0.250  0.401  0.297  1.0
  C  C14  1  0.750  0.099  0.797  1.0
  C  C15  1  0.250  0.901  0.203  1.0
  C  C16  1  0.250  0.761  0.952  1.0
  C  C17  1  0.750  0.239  0.048  1.0
  C  C18  1  0.250  0.261  0.548  1.0
  C  C19  1  0.750  0.739  0.452  1.0
[/CIF]
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The material structure described by Cr3C2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and three equivalent C(2) atoms. In the second Cr site, Cr(2) is bonded to one C(2) and four equivalent C(1) atoms to form a mixture of distorted corner, edge, and face-sharing CrC5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner, edge, and face-sharing CrC5 square pyramids. 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), two equivalent Cr(3), and four equivalent Cr(2) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Cr(2), three equivalent Cr(1), and three equivalent Cr(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.788
_cell_length_b   5.441
_cell_length_c   11.389
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.773
_cell_formula_units_Z   4
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  0.013  0.597  1.0
  Cr  Cr1  1  0.250  0.987  0.403  1.0
  Cr  Cr2  1  0.750  0.513  0.903  1.0
  Cr  Cr3  1  0.250  0.487  0.097  1.0
  Cr  Cr4  1  0.250  0.813  0.774  1.0
  Cr  Cr5  1  0.750  0.187  0.226  1.0
  Cr  Cr6  1  0.250  0.313  0.726  1.0
  Cr  Cr7  1  0.750  0.687  0.274  1.0
  Cr  Cr8  1  0.250  0.133  0.931  1.0
  Cr  Cr9  1  0.750  0.867  0.069  1.0
  Cr  Cr10  1  0.250  0.633  0.569  1.0
  Cr  Cr11  1  0.750  0.367  0.431  1.0
  C  C12  1  0.750  0.599  0.703  1.0
  C  C13  1  0.250  0.401  0.297  1.0
  C  C14  1  0.750  0.099  0.797  1.0
  C  C15  1  0.250  0.901  0.203  1.0
  C  C16  1  0.250  0.761  0.952  1.0
  C  C17  1  0.750  0.239  0.048  1.0
  C  C18  1  0.250  0.261  0.548  1.0
  C  C19  1  0.750  0.739  0.452  1.0
[/CIF]
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