The compound described by BeLa3SbS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Sb(1) is bonded to six equivalent S(1) atoms to form distorted face-sharing SbS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal pyramidal geometry to one Be(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3BeSbS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.295
_cell_length_b   10.295
_cell_length_c   6.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   573.957
_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
  La  La0  1  0.741  0.137  0.746  1.0
  La  La1  1  0.396  0.259  0.746  1.0
  La  La2  1  0.863  0.604  0.746  1.0
  La  La3  1  0.259  0.863  0.246  1.0
  La  La4  1  0.604  0.741  0.246  1.0
  La  La5  1  0.137  0.396  0.246  1.0
  Be  Be6  1  0.667  0.333  0.160  1.0
  Be  Be7  1  0.333  0.667  0.660  1.0
  Sb  Sb8  1  0.000  0.000  0.489  1.0
  Sb  Sb9  1  0.000  0.000  0.989  1.0
  S  S10  1  0.837  0.088  0.286  1.0
  S  S11  1  0.251  0.163  0.286  1.0
  S  S12  1  0.912  0.749  0.286  1.0
  S  S13  1  0.163  0.912  0.786  1.0
  S  S14  1  0.749  0.837  0.786  1.0
  S  S15  1  0.088  0.251  0.786  1.0
  S  S16  1  0.884  0.404  0.027  1.0
  S  S17  1  0.520  0.116  0.027  1.0
  S  S18  1  0.596  0.480  0.027  1.0
  S  S19  1  0.116  0.596  0.527  1.0
  S  S20  1  0.480  0.884  0.527  1.0
  S  S21  1  0.404  0.520  0.527  1.0
  S  S22  1  0.667  0.333  0.507  1.0
  S  S23  1  0.333  0.667  0.007  1.0
[/CIF]
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The compound described by BeLa3SbS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Sb(1) is bonded to six equivalent S(1) atoms to form distorted face-sharing SbS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal pyramidal geometry to one Be(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3BeSbS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.295
_cell_length_b   10.295
_cell_length_c   6.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   573.957
_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
  La  La0  1  0.741  0.137  0.746  1.0
  La  La1  1  0.396  0.259  0.746  1.0
  La  La2  1  0.863  0.604  0.746  1.0
  La  La3  1  0.259  0.863  0.246  1.0
  La  La4  1  0.604  0.741  0.246  1.0
  La  La5  1  0.137  0.396  0.246  1.0
  Be  Be6  1  0.667  0.333  0.160  1.0
  Be  Be7  1  0.333  0.667  0.660  1.0
  Sb  Sb8  1  0.000  0.000  0.489  1.0
  Sb  Sb9  1  0.000  0.000  0.989  1.0
  S  S10  1  0.837  0.088  0.286  1.0
  S  S11  1  0.251  0.163  0.286  1.0
  S  S12  1  0.912  0.749  0.286  1.0
  S  S13  1  0.163  0.912  0.786  1.0
  S  S14  1  0.749  0.837  0.786  1.0
  S  S15  1  0.088  0.251  0.786  1.0
  S  S16  1  0.884  0.404  0.027  1.0
  S  S17  1  0.520  0.116  0.027  1.0
  S  S18  1  0.596  0.480  0.027  1.0
  S  S19  1  0.116  0.596  0.527  1.0
  S  S20  1  0.480  0.884  0.527  1.0
  S  S21  1  0.404  0.520  0.527  1.0
  S  S22  1  0.667  0.333  0.507  1.0
  S  S23  1  0.333  0.667  0.007  1.0
[/CIF]
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