The material described by U2CrN3 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 7-coordinate geometry to two equivalent N(2) and five equivalent N(1) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent U(1) and two equivalent Cr(1) atoms to form NU4Cr2 octahedra that share corners with two equivalent N(2)U4Cr2 octahedra, corners with twelve equivalent N(1)U5Cr octahedra, edges with two equivalent N(2)U4Cr2 octahedra, and faces with four equivalent N(1)U5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second N site, N(1) is bonded to five equivalent U(1) and one Cr(1) atom to form NU5Cr octahedra that share corners with five equivalent N(1)U5Cr octahedra, corners with six equivalent N(2)U4Cr2 octahedra, edges with eight equivalent N(1)U5Cr octahedra, and faces with two equivalent N(2)U4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_U2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.646
_cell_length_c   6.646
_cell_angle_alpha   150.934
_cell_angle_beta   146.913
_cell_angle_gamma   44.610
_symmetry_Int_Tables_number   1
_cell_volume   77.613
_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
  U  U0  1  0.646  0.646  0.000  1.0
  U  U1  1  0.354  0.354  0.000  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.830  0.830  0.000  1.0
  N  N4  1  0.170  0.170  0.000  1.0
  N  N5  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by U2CrN3 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 7-coordinate geometry to two equivalent N(2) and five equivalent N(1) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent U(1) and two equivalent Cr(1) atoms to form NU4Cr2 octahedra that share corners with two equivalent N(2)U4Cr2 octahedra, corners with twelve equivalent N(1)U5Cr octahedra, edges with two equivalent N(2)U4Cr2 octahedra, and faces with four equivalent N(1)U5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second N site, N(1) is bonded to five equivalent U(1) and one Cr(1) atom to form NU5Cr octahedra that share corners with five equivalent N(1)U5Cr octahedra, corners with six equivalent N(2)U4Cr2 octahedra, edges with eight equivalent N(1)U5Cr octahedra, and faces with two equivalent N(2)U4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF file [CIF]
data_U2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.646
_cell_length_c   6.646
_cell_angle_alpha   150.934
_cell_angle_beta   146.913
_cell_angle_gamma   44.610
_symmetry_Int_Tables_number   1
_cell_volume   77.613
_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
  U  U0  1  0.646  0.646  0.000  1.0
  U  U1  1  0.354  0.354  0.000  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.830  0.830  0.000  1.0
  N  N4  1  0.170  0.170  0.000  1.0
  N  N5  1  0.500  0.000  0.500  1.0
[/CIF]
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