The material structure described by VCrC is zeta iron carbide-derived structured and crystallizes in the orthorhombic P2_12_12 space group. V(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. Cr(1) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent V(1) and four equivalent Cr(1) atoms to form CV2Cr4 octahedra that share corners with four equivalent C(1)V2Cr4 octahedra, corners with four equivalent C(2)V4Cr2 octahedra, and edges with two equivalent C(2)V4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second C site, C(2) is bonded to four equivalent V(1) and two equivalent Cr(1) atoms to form CV4Cr2 octahedra that share corners with four equivalent C(1)V2Cr4 octahedra, corners with four equivalent C(2)V4Cr2 octahedra, and edges with two equivalent C(1)V2Cr4 octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   4.937
_cell_length_c   5.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.269
_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
  V  V0  1  0.266  0.324  0.639  1.0
  V  V1  1  0.234  0.824  0.361  1.0
  V  V2  1  0.766  0.176  0.361  1.0
  V  V3  1  0.734  0.676  0.639  1.0
  Cr  Cr4  1  0.749  0.172  0.871  1.0
  Cr  Cr5  1  0.751  0.672  0.129  1.0
  Cr  Cr6  1  0.249  0.328  0.129  1.0
  Cr  Cr7  1  0.251  0.828  0.871  1.0
  C  C8  1  0.000  0.500  0.883  1.0
  C  C9  1  0.500  0.000  0.117  1.0
  C  C10  1  0.000  0.000  0.628  1.0
  C  C11  1  0.500  0.500  0.372  1.0
[/CIF]
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The material structure described by VCrC is zeta iron carbide-derived structured and crystallizes in the orthorhombic P2_12_12 space group. V(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. Cr(1) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent V(1) and four equivalent Cr(1) atoms to form CV2Cr4 octahedra that share corners with four equivalent C(1)V2Cr4 octahedra, corners with four equivalent C(2)V4Cr2 octahedra, and edges with two equivalent C(2)V4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second C site, C(2) is bonded to four equivalent V(1) and two equivalent Cr(1) atoms to form CV4Cr2 octahedra that share corners with four equivalent C(1)V2Cr4 octahedra, corners with four equivalent C(2)V4Cr2 octahedra, and edges with two equivalent C(1)V2Cr4 octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   4.937
_cell_length_c   5.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.269
_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
  V  V0  1  0.266  0.324  0.639  1.0
  V  V1  1  0.234  0.824  0.361  1.0
  V  V2  1  0.766  0.176  0.361  1.0
  V  V3  1  0.734  0.676  0.639  1.0
  Cr  Cr4  1  0.749  0.172  0.871  1.0
  Cr  Cr5  1  0.751  0.672  0.129  1.0
  Cr  Cr6  1  0.249  0.328  0.129  1.0
  Cr  Cr7  1  0.251  0.828  0.871  1.0
  C  C8  1  0.000  0.500  0.883  1.0
  C  C9  1  0.500  0.000  0.117  1.0
  C  C10  1  0.000  0.000  0.628  1.0
  C  C11  1  0.500  0.500  0.372  1.0
[/CIF]
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