The material structure described by GdVO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two O(1,1); three O(2,2); and three O(3,3) atoms. In the second Gd site, Gd(1) is bonded in a 8-coordinate geometry to two O(1,1); three O(2,2); and three O(3,3) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second V site, V(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the third V site, V(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the fourth V site, V(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two Gd(1,1); one V(1); and one V(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two Gd(1,1); one V(1); and one V(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(1,1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(1,1) atoms. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(2,2) atoms. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(2,2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.680
_cell_length_c   7.572
_cell_angle_alpha   90.132
_cell_angle_beta   89.917
_cell_angle_gamma   90.035
_symmetry_Int_Tables_number   1
_cell_volume   229.684
_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
  Gd  Gd0  1  0.981  0.933  0.250  1.0
  Gd  Gd1  1  0.482  0.567  0.750  1.0
  Gd  Gd2  1  0.519  0.433  0.251  1.0
  Gd  Gd3  1  0.019  0.066  0.749  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  1.000  0.500  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.101  0.532  0.250  1.0
  O  O9  1  0.601  0.968  0.749  1.0
  O  O10  1  0.399  0.032  0.251  1.0
  O  O11  1  0.899  0.468  0.749  1.0
  O  O12  1  0.696  0.692  0.051  1.0
  O  O13  1  0.196  0.808  0.949  1.0
  O  O14  1  0.813  0.202  0.447  1.0
  O  O15  1  0.312  0.298  0.554  1.0
  O  O16  1  0.303  0.308  0.949  1.0
  O  O17  1  0.803  0.192  0.051  1.0
  O  O18  1  0.188  0.798  0.553  1.0
  O  O19  1  0.689  0.703  0.446  1.0
[/CIF]
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The material structure described by GdVO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two O(1,1); three O(2,2); and three O(3,3) atoms. In the second Gd site, Gd(1) is bonded in a 8-coordinate geometry to two O(1,1); three O(2,2); and three O(3,3) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second V site, V(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the third V site, V(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the fourth V site, V(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two Gd(1,1); one V(1); and one V(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two Gd(1,1); one V(1); and one V(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(1,1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(1,1) atoms. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(2,2) atoms. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to three Gd(1,1) and two V(2,2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.680
_cell_length_c   7.572
_cell_angle_alpha   90.132
_cell_angle_beta   89.917
_cell_angle_gamma   90.035
_symmetry_Int_Tables_number   1
_cell_volume   229.684
_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
  Gd  Gd0  1  0.981  0.933  0.250  1.0
  Gd  Gd1  1  0.482  0.567  0.750  1.0
  Gd  Gd2  1  0.519  0.433  0.251  1.0
  Gd  Gd3  1  0.019  0.066  0.749  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  1.000  0.500  0.000  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.101  0.532  0.250  1.0
  O  O9  1  0.601  0.968  0.749  1.0
  O  O10  1  0.399  0.032  0.251  1.0
  O  O11  1  0.899  0.468  0.749  1.0
  O  O12  1  0.696  0.692  0.051  1.0
  O  O13  1  0.196  0.808  0.949  1.0
  O  O14  1  0.813  0.202  0.447  1.0
  O  O15  1  0.312  0.298  0.554  1.0
  O  O16  1  0.303  0.308  0.949  1.0
  O  O17  1  0.803  0.192  0.051  1.0
  O  O18  1  0.188  0.798  0.553  1.0
  O  O19  1  0.689  0.703  0.446  1.0
[/CIF]
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