The material structure described by USbSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Se(1) atoms. Sb(1) is bonded to four equivalent U(1) and four equivalent Sb(1) atoms to form distorted SbU4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, corners with twelve equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, edges with four equivalent Se(1)U5 trigonal bipyramids, and faces with four equivalent Sb(1)U4Sb4 hexagonal bipyramids. Se(1) is bonded to five equivalent U(1) atoms to form distorted SeU5 trigonal bipyramids that share corners with twelve equivalent Sb(1)U4Sb4 hexagonal bipyramids, corners with four equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, and edges with eight equivalent Se(1)U5 trigonal bipyramids. is represented by the CIF file [CIF]
data_USbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   4.212
_cell_length_c   8.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.794
_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  0.750  0.750  0.710  1.0
  U  U1  1  0.250  0.250  0.290  1.0
  Sb  Sb2  1  0.750  0.250  0.000  1.0
  Sb  Sb3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.371  1.0
  Se  Se5  1  0.250  0.250  0.629  1.0
[/CIF]
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The material structure described by USbSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Se(1) atoms. Sb(1) is bonded to four equivalent U(1) and four equivalent Sb(1) atoms to form distorted SbU4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, corners with twelve equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, edges with four equivalent Se(1)U5 trigonal bipyramids, and faces with four equivalent Sb(1)U4Sb4 hexagonal bipyramids. Se(1) is bonded to five equivalent U(1) atoms to form distorted SeU5 trigonal bipyramids that share corners with twelve equivalent Sb(1)U4Sb4 hexagonal bipyramids, corners with four equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent Sb(1)U4Sb4 hexagonal bipyramids, and edges with eight equivalent Se(1)U5 trigonal bipyramids. is represented by the CIF file [CIF]
data_USbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   4.212
_cell_length_c   8.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.794
_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  0.750  0.750  0.710  1.0
  U  U1  1  0.250  0.250  0.290  1.0
  Sb  Sb2  1  0.750  0.250  0.000  1.0
  Sb  Sb3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.371  1.0
  Se  Se5  1  0.250  0.250  0.629  1.0
[/CIF]
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