The material described by La4S7 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(2), and five equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   9.028
_cell_angle_alpha   142.735
_cell_angle_beta   142.735
_cell_angle_gamma   53.723
_symmetry_Int_Tables_number   1
_cell_volume   268.000
_cell_formula_units_Z   1
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
  La  La0  1  0.109  0.620  0.000  1.0
  La  La1  1  0.620  0.109  0.000  1.0
  La  La2  1  0.380  0.380  0.489  1.0
  La  La3  1  0.891  0.891  0.511  1.0
  S  S4  1  0.438  0.923  0.000  1.0
  S  S5  1  0.923  0.438  0.000  1.0
  S  S6  1  0.077  0.077  0.515  1.0
  S  S7  1  0.562  0.562  0.485  1.0
  S  S8  1  0.500  0.000  0.500  1.0
  S  S9  1  0.000  0.500  0.500  1.0
  S  S10  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by La4S7 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(2), and five equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   9.028
_cell_angle_alpha   142.735
_cell_angle_beta   142.735
_cell_angle_gamma   53.723
_symmetry_Int_Tables_number   1
_cell_volume   268.000
_cell_formula_units_Z   1
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
  La  La0  1  0.109  0.620  0.000  1.0
  La  La1  1  0.620  0.109  0.000  1.0
  La  La2  1  0.380  0.380  0.489  1.0
  La  La3  1  0.891  0.891  0.511  1.0
  S  S4  1  0.438  0.923  0.000  1.0
  S  S5  1  0.923  0.438  0.000  1.0
  S  S6  1  0.077  0.077  0.515  1.0
  S  S7  1  0.562  0.562  0.485  1.0
  S  S8  1  0.500  0.000  0.500  1.0
  S  S9  1  0.000  0.500  0.500  1.0
  S  S10  1  0.000  0.000  0.000  1.0
[/CIF]
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