The material described by ZrWCr crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), six equivalent W(1), and six equivalent Cr(1) atoms. W(1) is bonded to six equivalent Zr(1), two equivalent W(1), and four equivalent Cr(1) atoms to form distorted WZr6Cr4W2 cuboctahedra that share corners with eight equivalent Cr(1)Zr6Cr2W4 cuboctahedra, corners with ten equivalent W(1)Zr6Cr4W2 cuboctahedra, edges with six equivalent W(1)Zr6Cr4W2 cuboctahedra, faces with six equivalent W(1)Zr6Cr4W2 cuboctahedra, and faces with twelve equivalent Cr(1)Zr6Cr2W4 cuboctahedra. Cr(1) is bonded to six equivalent Zr(1), four equivalent W(1), and two equivalent Cr(1) atoms to form distorted CrZr6Cr2W4 cuboctahedra that share corners with eight equivalent W(1)Zr6Cr4W2 cuboctahedra, corners with ten equivalent Cr(1)Zr6Cr2W4 cuboctahedra, edges with six equivalent Cr(1)Zr6Cr2W4 cuboctahedra, faces with six equivalent Cr(1)Zr6Cr2W4 cuboctahedra, and faces with twelve equivalent W(1)Zr6Cr4W2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   5.240
_cell_length_c   5.240
_cell_angle_alpha   120.481
_cell_angle_beta   118.833
_cell_angle_gamma   90.601
_symmetry_Int_Tables_number   1
_cell_volume   102.221
_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
  Zr  Zr0  1  0.373  0.123  0.250  1.0
  Zr  Zr1  1  0.627  0.877  0.750  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by ZrWCr crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), six equivalent W(1), and six equivalent Cr(1) atoms. W(1) is bonded to six equivalent Zr(1), two equivalent W(1), and four equivalent Cr(1) atoms to form distorted WZr6Cr4W2 cuboctahedra that share corners with eight equivalent Cr(1)Zr6Cr2W4 cuboctahedra, corners with ten equivalent W(1)Zr6Cr4W2 cuboctahedra, edges with six equivalent W(1)Zr6Cr4W2 cuboctahedra, faces with six equivalent W(1)Zr6Cr4W2 cuboctahedra, and faces with twelve equivalent Cr(1)Zr6Cr2W4 cuboctahedra. Cr(1) is bonded to six equivalent Zr(1), four equivalent W(1), and two equivalent Cr(1) atoms to form distorted CrZr6Cr2W4 cuboctahedra that share corners with eight equivalent W(1)Zr6Cr4W2 cuboctahedra, corners with ten equivalent Cr(1)Zr6Cr2W4 cuboctahedra, edges with six equivalent Cr(1)Zr6Cr2W4 cuboctahedra, faces with six equivalent Cr(1)Zr6Cr2W4 cuboctahedra, and faces with twelve equivalent W(1)Zr6Cr4W2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.240
_cell_length_b   5.240
_cell_length_c   5.240
_cell_angle_alpha   120.481
_cell_angle_beta   118.833
_cell_angle_gamma   90.601
_symmetry_Int_Tables_number   1
_cell_volume   102.221
_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
  Zr  Zr0  1  0.373  0.123  0.250  1.0
  Zr  Zr1  1  0.627  0.877  0.750  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.000  0.500  0.500  1.0
[/CIF]
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