The crystal structure described by VGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with eight equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with eight equivalent V(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-80°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OV2Ga2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent V(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_VGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   7.876
_cell_length_c   5.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   207.872
_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  0.000  0.000  0.500  1.0
  V  V1  1  1.000  0.500  0.500  1.0
  V  V2  1  0.500  1.000  0.000  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  Ga  Ga4  1  0.012  0.250  0.016  1.0
  Ga  Ga5  1  0.488  0.750  0.516  1.0
  Ga  Ga6  1  0.512  0.250  0.484  1.0
  Ga  Ga7  1  0.988  0.750  0.984  1.0
  O  O8  1  0.123  0.750  0.628  1.0
  O  O9  1  0.169  0.575  0.157  1.0
  O  O10  1  0.169  0.925  0.157  1.0
  O  O11  1  0.331  0.075  0.657  1.0
  O  O12  1  0.331  0.425  0.657  1.0
  O  O13  1  0.377  0.250  0.128  1.0
  O  O14  1  0.623  0.750  0.872  1.0
  O  O15  1  0.669  0.575  0.343  1.0
  O  O16  1  0.669  0.925  0.343  1.0
  O  O17  1  0.831  0.075  0.843  1.0
  O  O18  1  0.831  0.425  0.843  1.0
  O  O19  1  0.877  0.250  0.372  1.0
[/CIF]
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The crystal structure described by VGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with eight equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with eight equivalent V(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-80°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OV2Ga2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent V(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_VGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   7.876
_cell_length_c   5.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   207.872
_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  0.000  0.000  0.500  1.0
  V  V1  1  1.000  0.500  0.500  1.0
  V  V2  1  0.500  1.000  0.000  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  Ga  Ga4  1  0.012  0.250  0.016  1.0
  Ga  Ga5  1  0.488  0.750  0.516  1.0
  Ga  Ga6  1  0.512  0.250  0.484  1.0
  Ga  Ga7  1  0.988  0.750  0.984  1.0
  O  O8  1  0.123  0.750  0.628  1.0
  O  O9  1  0.169  0.575  0.157  1.0
  O  O10  1  0.169  0.925  0.157  1.0
  O  O11  1  0.331  0.075  0.657  1.0
  O  O12  1  0.331  0.425  0.657  1.0
  O  O13  1  0.377  0.250  0.128  1.0
  O  O14  1  0.623  0.750  0.872  1.0
  O  O15  1  0.669  0.575  0.343  1.0
  O  O16  1  0.669  0.925  0.343  1.0
  O  O17  1  0.831  0.075  0.843  1.0
  O  O18  1  0.831  0.425  0.843  1.0
  O  O19  1  0.877  0.250  0.372  1.0
[/CIF]
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