data_V2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   119.47
_cell_angle_beta   119.47
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SnO4
_chemical_formula_sum   'V4 Sn2 O8'
_cell_volume   179.11
_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  V10  1  0.0  0.59  0.53  1.0
  V  V11  1  0.18  0.59  0.11  1.0
  V  V12  1  0.59  0.0  0.32  1.0
  V  V13  1  0.59  0.18  0.89  1.0
  Sn  Sn8  1  0.0  0.18  0.21  1.0
  Sn  Sn9  1  0.0  0.0  0.0  1.0
  O  O0  1  0.53  0.0  0.28  1.0
  O  O1  1  0.83  0.0  0.28  1.0
  O  O2  1  0.18  0.65  0.15  1.0
  O  O3  1  0.18  0.83  0.06  1.0
  O  O4  1  0.18  0.35  0.15  1.0
  O  O5  1  0.0  0.35  0.49  1.0
  O  O6  1  0.83  0.18  0.94  1.0
  O  O7  1  0.35  0.0  0.36  1.0

data_V2SnO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   90.92
_cell_angle_beta   119.47
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SnO4
_chemical_formula_sum   'V4 Sn2 O8'
_cell_volume   179.11
_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  0.11  0.18  0.59  1.0
  V  V1  1  0.32  0.59  0.0  1.0
  V  V2  1  0.53  0.0  0.59  1.0
  V  V3  1  0.89  0.59  0.18  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.21  0.0  0.18  1.0
  O  O6  1  0.06  0.18  0.83  1.0
  O  O7  1  0.15  0.18  0.65  1.0
  O  O8  1  0.15  0.18  0.35  1.0
  O  O9  1  0.28  0.53  0.0  1.0
  O  O10  1  0.28  0.83  0.0  1.0
  O  O11  1  0.36  0.35  0.0  1.0
  O  O12  1  0.49  0.0  0.35  1.0
  O  O13  1  0.94  0.83  0.18  1.0

V V V V Sn Sn O O O O O O O O
V2SnO4 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one O(6) atom. The V(1)-O(6) bond length is 1.38 Å. In the second V site, V(2) is bonded in a single-bond geometry to one O(3) and one O(5) atom. The V(2)-O(3) bond length is 0.32 Å. The V(2)-O(5) bond length is 1.64 Å. In the third V site, V(3) is bonded in a single-bond geometry to one O(1), one O(2), and one O(8) atom. The V(3)-O(1) bond length is 0.32 Å. The V(3)-O(2) bond length is 1.64 Å. The V(3)-O(8) bond length is 1.64 Å. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(7) and one O(8) atom. The V(4)-O(7) bond length is 1.38 Å. The V(4)-O(8) bond length is 2.45 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Sn(2), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. The Sn(1)-Sn(2) bond length is 1.27 Å. The Sn(1)-O(2) bond length is 1.87 Å. The Sn(1)-O(5) bond length is 1.87 Å. The Sn(1)-O(6) bond length is 1.54 Å. The Sn(1)-O(7) bond length is 1.54 Å. The Sn(1)-O(8) bond length is 2.50 Å. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Sn(1), one O(4), one O(5), one O(7), and one O(8) atom. The Sn(2)-O(4) bond length is 1.64 Å. The Sn(2)-O(5) bond length is 1.99 Å. The Sn(2)-O(7) bond length is 1.65 Å. The Sn(2)-O(8) bond length is 2.28 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(3) and one O(8) atom. The O(1)-O(8) bond length is 1.49 Å. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(3) and one Sn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(2) and one O(8) atom. The O(3)-O(8) bond length is 1.87 Å. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Sn(2) and one O(8) atom. The O(4)-O(8) bond length is 1.37 Å. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one V(2), one Sn(1), and one Sn(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one V(1) and one Sn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(4), one Sn(1), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one V(3), one V(4), one Sn(1), one Sn(2), one O(1), one O(3), and one O(4) atom.