The material described by Ce3CuGeS7 crystallizes in the hexagonal P6_3 space group. Ce(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent Ce(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Ce(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.198
_cell_length_b   10.198
_cell_length_c   5.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.105
_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  0.770  0.643  0.251  1.0
  Ce  Ce1  1  0.357  0.127  0.251  1.0
  Ce  Ce2  1  0.127  0.770  0.751  1.0
  Ce  Ce3  1  0.643  0.873  0.751  1.0
  Ce  Ce4  1  0.873  0.230  0.251  1.0
  Ce  Ce5  1  0.230  0.357  0.751  1.0
  Cu  Cu6  1  0.000  0.000  0.223  1.0
  Cu  Cu7  1  0.000  0.000  0.723  1.0
  Ge  Ge8  1  0.667  0.333  0.832  1.0
  Ge  Ge9  1  0.333  0.667  0.332  1.0
  S  S10  1  0.667  0.333  0.454  1.0
  S  S11  1  0.520  0.417  0.986  1.0
  S  S12  1  0.251  0.089  0.735  1.0
  S  S13  1  0.583  0.103  0.986  1.0
  S  S14  1  0.749  0.911  0.235  1.0
  S  S15  1  0.911  0.162  0.735  1.0
  S  S16  1  0.089  0.838  0.235  1.0
  S  S17  1  0.838  0.749  0.735  1.0
  S  S18  1  0.333  0.667  0.954  1.0
  S  S19  1  0.162  0.251  0.235  1.0
  S  S20  1  0.103  0.520  0.486  1.0
  S  S21  1  0.480  0.583  0.486  1.0
  S  S22  1  0.897  0.480  0.986  1.0
  S  S23  1  0.417  0.897  0.486  1.0
[/CIF]
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The material described by Ce3CuGeS7 crystallizes in the hexagonal P6_3 space group. Ce(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent Ce(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Ce(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.198
_cell_length_b   10.198
_cell_length_c   5.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.105
_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  0.770  0.643  0.251  1.0
  Ce  Ce1  1  0.357  0.127  0.251  1.0
  Ce  Ce2  1  0.127  0.770  0.751  1.0
  Ce  Ce3  1  0.643  0.873  0.751  1.0
  Ce  Ce4  1  0.873  0.230  0.251  1.0
  Ce  Ce5  1  0.230  0.357  0.751  1.0
  Cu  Cu6  1  0.000  0.000  0.223  1.0
  Cu  Cu7  1  0.000  0.000  0.723  1.0
  Ge  Ge8  1  0.667  0.333  0.832  1.0
  Ge  Ge9  1  0.333  0.667  0.332  1.0
  S  S10  1  0.667  0.333  0.454  1.0
  S  S11  1  0.520  0.417  0.986  1.0
  S  S12  1  0.251  0.089  0.735  1.0
  S  S13  1  0.583  0.103  0.986  1.0
  S  S14  1  0.749  0.911  0.235  1.0
  S  S15  1  0.911  0.162  0.735  1.0
  S  S16  1  0.089  0.838  0.235  1.0
  S  S17  1  0.838  0.749  0.735  1.0
  S  S18  1  0.333  0.667  0.954  1.0
  S  S19  1  0.162  0.251  0.235  1.0
  S  S20  1  0.103  0.520  0.486  1.0
  S  S21  1  0.480  0.583  0.486  1.0
  S  S22  1  0.897  0.480  0.986  1.0
  S  S23  1  0.417  0.897  0.486  1.0
[/CIF]
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