The crystal structure described by U2CoSe2S3 crystallizes in the monoclinic C2/c space group. U(1) is bonded in a 8-coordinate geometry to three equivalent Se(1), two equivalent S(1), and three equivalent S(2) atoms. Co(1) is bonded to four equivalent Se(1) and two equivalent S(2) atoms to form corner-sharing CoSe4S2 octahedra. The corner-sharing octahedral tilt angles are 39°. Se(1) is bonded to three equivalent U(1) and two equivalent Co(1) atoms to form distorted SeU3Co2 trigonal bipyramids that share corners with two equivalent Se(1)U3Co2 trigonal bipyramids, corners with four equivalent S(1)U4 trigonal pyramids, corners with seven equivalent S(2)U3Co trigonal pyramids, edges with five equivalent Se(1)U3Co2 trigonal bipyramids,  an edgeedge with one S(1)U4 trigonal pyramid, and edges with three equivalent S(2)U3Co trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent U(1) atoms to form SU4 trigonal pyramids that share corners with eight equivalent Se(1)U3Co2 trigonal bipyramids, corners with eight equivalent S(2)U3Co trigonal pyramids, edges with two equivalent Se(1)U3Co2 trigonal bipyramids, edges with two equivalent S(2)U3Co trigonal pyramids, and edges with two equivalent S(1)U4 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent U(1) and one Co(1) atom to form distorted SU3Co trigonal pyramids that share corners with seven equivalent Se(1)U3Co2 trigonal bipyramids, corners with three equivalent S(2)U3Co trigonal pyramids, corners with four equivalent S(1)U4 trigonal pyramids, edges with three equivalent Se(1)U3Co2 trigonal bipyramids,  an edgeedge with one S(1)U4 trigonal pyramid, and edges with two equivalent S(2)U3Co trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CoSe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.135
_cell_length_c   7.991
_cell_angle_alpha   96.878
_cell_angle_beta   67.030
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.612
_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  0.677  0.582  0.196  1.0
  U  U1  1  0.872  0.918  0.804  1.0
  U  U2  1  0.323  0.418  0.804  1.0
  U  U3  1  0.128  0.082  0.196  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  Se  Se6  1  0.302  0.693  0.562  1.0
  Se  Se7  1  0.864  0.807  0.438  1.0
  Se  Se8  1  0.698  0.307  0.438  1.0
  Se  Se9  1  0.136  0.193  0.562  1.0
  S  S10  1  0.084  0.750  0.000  1.0
  S  S11  1  0.916  0.250  0.000  1.0
  S  S12  1  0.529  0.925  0.180  1.0
  S  S13  1  0.710  0.575  0.820  1.0
  S  S14  1  0.471  0.075  0.820  1.0
  S  S15  1  0.290  0.425  0.180  1.0
[/CIF]
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The crystal structure described by U2CoSe2S3 crystallizes in the monoclinic C2/c space group. U(1) is bonded in a 8-coordinate geometry to three equivalent Se(1), two equivalent S(1), and three equivalent S(2) atoms. Co(1) is bonded to four equivalent Se(1) and two equivalent S(2) atoms to form corner-sharing CoSe4S2 octahedra. The corner-sharing octahedral tilt angles are 39°. Se(1) is bonded to three equivalent U(1) and two equivalent Co(1) atoms to form distorted SeU3Co2 trigonal bipyramids that share corners with two equivalent Se(1)U3Co2 trigonal bipyramids, corners with four equivalent S(1)U4 trigonal pyramids, corners with seven equivalent S(2)U3Co trigonal pyramids, edges with five equivalent Se(1)U3Co2 trigonal bipyramids,  an edgeedge with one S(1)U4 trigonal pyramid, and edges with three equivalent S(2)U3Co trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent U(1) atoms to form SU4 trigonal pyramids that share corners with eight equivalent Se(1)U3Co2 trigonal bipyramids, corners with eight equivalent S(2)U3Co trigonal pyramids, edges with two equivalent Se(1)U3Co2 trigonal bipyramids, edges with two equivalent S(2)U3Co trigonal pyramids, and edges with two equivalent S(1)U4 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent U(1) and one Co(1) atom to form distorted SU3Co trigonal pyramids that share corners with seven equivalent Se(1)U3Co2 trigonal bipyramids, corners with three equivalent S(2)U3Co trigonal pyramids, corners with four equivalent S(1)U4 trigonal pyramids, edges with three equivalent Se(1)U3Co2 trigonal bipyramids,  an edgeedge with one S(1)U4 trigonal pyramid, and edges with two equivalent S(2)U3Co trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CoSe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.135
_cell_length_c   7.991
_cell_angle_alpha   96.878
_cell_angle_beta   67.030
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.612
_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  0.677  0.582  0.196  1.0
  U  U1  1  0.872  0.918  0.804  1.0
  U  U2  1  0.323  0.418  0.804  1.0
  U  U3  1  0.128  0.082  0.196  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  Se  Se6  1  0.302  0.693  0.562  1.0
  Se  Se7  1  0.864  0.807  0.438  1.0
  Se  Se8  1  0.698  0.307  0.438  1.0
  Se  Se9  1  0.136  0.193  0.562  1.0
  S  S10  1  0.084  0.750  0.000  1.0
  S  S11  1  0.916  0.250  0.000  1.0
  S  S12  1  0.529  0.925  0.180  1.0
  S  S13  1  0.710  0.575  0.820  1.0
  S  S14  1  0.471  0.075  0.820  1.0
  S  S15  1  0.290  0.425  0.180  1.0
[/CIF]
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