The compound described by Ce4CoS7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and one S(7) atom. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(6), and one S(7) atom. In the fourth Ce site, Ce(4) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(4), one S(5), one S(6), and one S(7) atom. Co(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Ce(1), one Ce(2), one Ce(3), one Ce(4), and one Co(1) atom to form a mixture of distorted corner and edge-sharing SCe4Co trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), and one Co(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), and one Co(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(3), and one Ce(4) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Ce(4) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ce(2), one Ce(3), and one Ce(4) atom. In the seventh S site, S(7) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Ce(4) atom to form a mixture of corner and edge-sharing SCe4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce4CoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   9.504
_cell_length_c   9.527
_cell_angle_alpha   60.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.997
_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
  Ce  Ce0  1  0.732  0.807  0.833  1.0
  Ce  Ce1  1  0.735  0.362  0.804  1.0
  Ce  Ce2  1  0.738  0.831  0.365  1.0
  Ce  Ce3  1  0.232  0.193  0.167  1.0
  Ce  Ce4  1  0.235  0.638  0.196  1.0
  Ce  Ce5  1  0.238  0.169  0.635  1.0
  Ce  Ce6  1  0.207  0.663  0.683  1.0
  Ce  Ce7  1  0.707  0.337  0.317  1.0
  Co  Co8  1  0.387  0.001  0.996  1.0
  Co  Co9  1  0.887  0.999  0.004  1.0
  S  S10  1  0.341  0.859  0.873  1.0
  S  S11  1  0.345  0.266  0.858  1.0
  S  S12  1  0.349  0.877  0.260  1.0
  S  S13  1  0.841  0.141  0.127  1.0
  S  S14  1  0.845  0.734  0.142  1.0
  S  S15  1  0.849  0.123  0.740  1.0
  S  S16  1  0.979  0.924  0.550  1.0
  S  S17  1  0.968  0.526  0.932  1.0
  S  S18  1  0.983  0.548  0.534  1.0
  S  S19  1  0.479  0.076  0.450  1.0
  S  S20  1  0.468  0.474  0.068  1.0
  S  S21  1  0.483  0.452  0.466  1.0
  S  S22  1  0.582  0.667  0.665  1.0
  S  S23  1  0.082  0.333  0.335  1.0
[/CIF]
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The compound described by Ce4CoS7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and one S(7) atom. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(6), and one S(7) atom. In the fourth Ce site, Ce(4) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(4), one S(5), one S(6), and one S(7) atom. Co(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded to one Ce(1), one Ce(2), one Ce(3), one Ce(4), and one Co(1) atom to form a mixture of distorted corner and edge-sharing SCe4Co trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), and one Co(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), and one Co(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(3), and one Ce(4) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Ce(4) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ce(2), one Ce(3), and one Ce(4) atom. In the seventh S site, S(7) is bonded to one Ce(1), one Ce(2), one Ce(3), and one Ce(4) atom to form a mixture of corner and edge-sharing SCe4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce4CoS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   9.504
_cell_length_c   9.527
_cell_angle_alpha   60.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.997
_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
  Ce  Ce0  1  0.732  0.807  0.833  1.0
  Ce  Ce1  1  0.735  0.362  0.804  1.0
  Ce  Ce2  1  0.738  0.831  0.365  1.0
  Ce  Ce3  1  0.232  0.193  0.167  1.0
  Ce  Ce4  1  0.235  0.638  0.196  1.0
  Ce  Ce5  1  0.238  0.169  0.635  1.0
  Ce  Ce6  1  0.207  0.663  0.683  1.0
  Ce  Ce7  1  0.707  0.337  0.317  1.0
  Co  Co8  1  0.387  0.001  0.996  1.0
  Co  Co9  1  0.887  0.999  0.004  1.0
  S  S10  1  0.341  0.859  0.873  1.0
  S  S11  1  0.345  0.266  0.858  1.0
  S  S12  1  0.349  0.877  0.260  1.0
  S  S13  1  0.841  0.141  0.127  1.0
  S  S14  1  0.845  0.734  0.142  1.0
  S  S15  1  0.849  0.123  0.740  1.0
  S  S16  1  0.979  0.924  0.550  1.0
  S  S17  1  0.968  0.526  0.932  1.0
  S  S18  1  0.983  0.548  0.534  1.0
  S  S19  1  0.479  0.076  0.450  1.0
  S  S20  1  0.468  0.474  0.068  1.0
  S  S21  1  0.483  0.452  0.466  1.0
  S  S22  1  0.582  0.667  0.665  1.0
  S  S23  1  0.082  0.333  0.335  1.0
[/CIF]
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