The material structure described by V2ZnS5 crystallizes in the orthorhombic Pmmn space group. V(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing VS5 trigonal bipyramids. Zn(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form corner-sharing SV2Zn2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to three equivalent V(1) and one Zn(1) atom. In the third S site, S(3) is bonded in a single-bond geometry to one V(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_V2ZnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.996
_cell_length_b   5.937
_cell_length_c   14.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.801
_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
  V  V0  1  0.000  0.084  0.843  1.0
  V  V1  1  0.500  0.916  0.657  1.0
  V  V2  1  0.500  0.916  0.343  1.0
  V  V3  1  0.000  0.084  0.157  1.0
  Zn  Zn4  1  0.500  0.682  0.000  1.0
  Zn  Zn5  1  0.000  0.318  0.500  1.0
  S  S6  1  0.500  0.080  0.500  1.0
  S  S7  1  0.000  0.920  0.000  1.0
  S  S8  1  0.500  0.885  0.823  1.0
  S  S9  1  0.000  0.115  0.677  1.0
  S  S10  1  0.500  0.885  0.177  1.0
  S  S11  1  0.000  0.115  0.323  1.0
  S  S12  1  0.000  0.419  0.112  1.0
  S  S13  1  0.500  0.581  0.388  1.0
  S  S14  1  0.500  0.581  0.612  1.0
  S  S15  1  0.000  0.419  0.888  1.0
[/CIF]
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The material structure described by V2ZnS5 crystallizes in the orthorhombic Pmmn space group. V(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing VS5 trigonal bipyramids. Zn(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form corner-sharing SV2Zn2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to three equivalent V(1) and one Zn(1) atom. In the third S site, S(3) is bonded in a single-bond geometry to one V(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_V2ZnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.996
_cell_length_b   5.937
_cell_length_c   14.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.801
_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
  V  V0  1  0.000  0.084  0.843  1.0
  V  V1  1  0.500  0.916  0.657  1.0
  V  V2  1  0.500  0.916  0.343  1.0
  V  V3  1  0.000  0.084  0.157  1.0
  Zn  Zn4  1  0.500  0.682  0.000  1.0
  Zn  Zn5  1  0.000  0.318  0.500  1.0
  S  S6  1  0.500  0.080  0.500  1.0
  S  S7  1  0.000  0.920  0.000  1.0
  S  S8  1  0.500  0.885  0.823  1.0
  S  S9  1  0.000  0.115  0.677  1.0
  S  S10  1  0.500  0.885  0.177  1.0
  S  S11  1  0.000  0.115  0.323  1.0
  S  S12  1  0.000  0.419  0.112  1.0
  S  S13  1  0.500  0.581  0.388  1.0
  S  S14  1  0.500  0.581  0.612  1.0
  S  S15  1  0.000  0.419  0.888  1.0
[/CIF]
.