The compound described by UW4C4 crystallizes in the tetragonal P4/m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to eight equivalent C(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to eight equivalent C(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing WC4 trigonal pyramids. In the second W site, W(2) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent U(1), two equivalent W(1), and two equivalent W(2) atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second C site, C(2) is bonded to two equivalent U(2), two equivalent W(1), and two equivalent W(2) atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_U(WC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.414
_cell_length_b   8.414
_cell_length_c   3.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.710
_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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.362  0.825  0.000  1.0
  W  W3  1  0.638  0.175  0.000  1.0
  W  W4  1  0.175  0.362  0.000  1.0
  W  W5  1  0.825  0.638  0.000  1.0
  W  W6  1  0.121  0.660  0.500  1.0
  W  W7  1  0.879  0.340  0.500  1.0
  W  W8  1  0.340  0.121  0.500  1.0
  W  W9  1  0.660  0.879  0.500  1.0
  C  C10  1  0.209  0.899  0.500  1.0
  C  C11  1  0.791  0.101  0.500  1.0
  C  C12  1  0.101  0.209  0.500  1.0
  C  C13  1  0.899  0.791  0.500  1.0
  C  C14  1  0.280  0.590  0.000  1.0
  C  C15  1  0.720  0.410  0.000  1.0
  C  C16  1  0.410  0.280  0.000  1.0
  C  C17  1  0.590  0.720  0.000  1.0
[/CIF]
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The compound described by UW4C4 crystallizes in the tetragonal P4/m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to eight equivalent C(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to eight equivalent C(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing WC4 trigonal pyramids. In the second W site, W(2) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent U(1), two equivalent W(1), and two equivalent W(2) atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second C site, C(2) is bonded to two equivalent U(2), two equivalent W(1), and two equivalent W(2) atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_U(WC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.414
_cell_length_b   8.414
_cell_length_c   3.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.710
_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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.362  0.825  0.000  1.0
  W  W3  1  0.638  0.175  0.000  1.0
  W  W4  1  0.175  0.362  0.000  1.0
  W  W5  1  0.825  0.638  0.000  1.0
  W  W6  1  0.121  0.660  0.500  1.0
  W  W7  1  0.879  0.340  0.500  1.0
  W  W8  1  0.340  0.121  0.500  1.0
  W  W9  1  0.660  0.879  0.500  1.0
  C  C10  1  0.209  0.899  0.500  1.0
  C  C11  1  0.791  0.101  0.500  1.0
  C  C12  1  0.101  0.209  0.500  1.0
  C  C13  1  0.899  0.791  0.500  1.0
  C  C14  1  0.280  0.590  0.000  1.0
  C  C15  1  0.720  0.410  0.000  1.0
  C  C16  1  0.410  0.280  0.000  1.0
  C  C17  1  0.590  0.720  0.000  1.0
[/CIF]
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