The crystal structure described by BeLa3VS7 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. V(1) is bonded to six equivalent S(1) atoms to form face-sharing VS6 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 V(1) atoms. In the second S site, S(2) is bonded in a 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 tetrahedral geometry to one Be(1) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3BeVS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   10.195
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.518
_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  0.749  0.137  0.747  1.0
  La  La1  1  0.388  0.251  0.747  1.0
  La  La2  1  0.863  0.612  0.747  1.0
  La  La3  1  0.251  0.863  0.247  1.0
  La  La4  1  0.612  0.749  0.247  1.0
  La  La5  1  0.137  0.388  0.247  1.0
  Be  Be6  1  0.667  0.333  0.161  1.0
  Be  Be7  1  0.333  0.667  0.661  1.0
  V  V8  1  0.000  0.000  0.517  1.0
  V  V9  1  0.000  0.000  0.017  1.0
  S  S10  1  0.859  0.076  0.268  1.0
  S  S11  1  0.217  0.141  0.268  1.0
  S  S12  1  0.924  0.783  0.268  1.0
  S  S13  1  0.141  0.924  0.768  1.0
  S  S14  1  0.783  0.859  0.768  1.0
  S  S15  1  0.076  0.217  0.768  1.0
  S  S16  1  0.887  0.405  0.031  1.0
  S  S17  1  0.518  0.113  0.031  1.0
  S  S18  1  0.595  0.482  0.031  1.0
  S  S19  1  0.113  0.595  0.531  1.0
  S  S20  1  0.482  0.887  0.531  1.0
  S  S21  1  0.405  0.518  0.531  1.0
  S  S22  1  0.667  0.333  0.514  1.0
  S  S23  1  0.333  0.667  0.014  1.0
[/CIF]
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The crystal structure described by BeLa3VS7 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. V(1) is bonded to six equivalent S(1) atoms to form face-sharing VS6 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 V(1) atoms. In the second S site, S(2) is bonded in a 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 tetrahedral geometry to one Be(1) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3BeVS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   10.195
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   535.518
_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  0.749  0.137  0.747  1.0
  La  La1  1  0.388  0.251  0.747  1.0
  La  La2  1  0.863  0.612  0.747  1.0
  La  La3  1  0.251  0.863  0.247  1.0
  La  La4  1  0.612  0.749  0.247  1.0
  La  La5  1  0.137  0.388  0.247  1.0
  Be  Be6  1  0.667  0.333  0.161  1.0
  Be  Be7  1  0.333  0.667  0.661  1.0
  V  V8  1  0.000  0.000  0.517  1.0
  V  V9  1  0.000  0.000  0.017  1.0
  S  S10  1  0.859  0.076  0.268  1.0
  S  S11  1  0.217  0.141  0.268  1.0
  S  S12  1  0.924  0.783  0.268  1.0
  S  S13  1  0.141  0.924  0.768  1.0
  S  S14  1  0.783  0.859  0.768  1.0
  S  S15  1  0.076  0.217  0.768  1.0
  S  S16  1  0.887  0.405  0.031  1.0
  S  S17  1  0.518  0.113  0.031  1.0
  S  S18  1  0.595  0.482  0.031  1.0
  S  S19  1  0.113  0.595  0.531  1.0
  S  S20  1  0.482  0.887  0.531  1.0
  S  S21  1  0.405  0.518  0.531  1.0
  S  S22  1  0.667  0.333  0.514  1.0
  S  S23  1  0.333  0.667  0.014  1.0
[/CIF]
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