The crystal structure described by VSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. V(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OV2Sn2 trigonal pyramids. is represented by the CIF card [CIF]
data_VSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.629
_cell_length_c   7.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.543
_cell_formula_units_Z   4
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  0.009  0.453  0.250  1.0
  V  V1  1  0.991  0.547  0.750  1.0
  V  V2  1  0.509  0.047  0.750  1.0
  V  V3  1  0.491  0.953  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.322  0.187  0.071  1.0
  O  O9  1  0.678  0.813  0.929  1.0
  O  O10  1  0.822  0.313  0.929  1.0
  O  O11  1  0.678  0.813  0.571  1.0
  O  O12  1  0.178  0.687  0.071  1.0
  O  O13  1  0.322  0.187  0.429  1.0
  O  O14  1  0.178  0.687  0.429  1.0
  O  O15  1  0.822  0.313  0.571  1.0
  O  O16  1  0.636  0.574  0.250  1.0
  O  O17  1  0.364  0.426  0.750  1.0
  O  O18  1  0.136  0.926  0.750  1.0
  O  O19  1  0.864  0.074  0.250  1.0
[/CIF]
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The crystal structure described by VSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. V(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OV2Sn2 trigonal pyramids. is represented by the CIF card [CIF]
data_VSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.629
_cell_length_c   7.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.543
_cell_formula_units_Z   4
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  0.009  0.453  0.250  1.0
  V  V1  1  0.991  0.547  0.750  1.0
  V  V2  1  0.509  0.047  0.750  1.0
  V  V3  1  0.491  0.953  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.322  0.187  0.071  1.0
  O  O9  1  0.678  0.813  0.929  1.0
  O  O10  1  0.822  0.313  0.929  1.0
  O  O11  1  0.678  0.813  0.571  1.0
  O  O12  1  0.178  0.687  0.071  1.0
  O  O13  1  0.322  0.187  0.429  1.0
  O  O14  1  0.178  0.687  0.429  1.0
  O  O15  1  0.822  0.313  0.571  1.0
  O  O16  1  0.636  0.574  0.250  1.0
  O  O17  1  0.364  0.426  0.750  1.0
  O  O18  1  0.136  0.926  0.750  1.0
  O  O19  1  0.864  0.074  0.250  1.0
[/CIF]
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