The crystal structure described by LuVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form distorted corner-sharing OLu2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LuVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.659
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.241
_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
  Lu  Lu0  1  0.023  0.929  0.750  1.0
  Lu  Lu1  1  0.477  0.429  0.750  1.0
  Lu  Lu2  1  0.523  0.571  0.250  1.0
  Lu  Lu3  1  0.977  0.071  0.250  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.130  0.445  0.250  1.0
  O  O9  1  0.190  0.186  0.935  1.0
  O  O10  1  0.190  0.186  0.565  1.0
  O  O11  1  0.310  0.686  0.935  1.0
  O  O12  1  0.310  0.686  0.565  1.0
  O  O13  1  0.370  0.945  0.250  1.0
  O  O14  1  0.630  0.055  0.750  1.0
  O  O15  1  0.690  0.314  0.435  1.0
  O  O16  1  0.690  0.314  0.065  1.0
  O  O17  1  0.810  0.814  0.435  1.0
  O  O18  1  0.810  0.814  0.065  1.0
  O  O19  1  0.870  0.555  0.750  1.0
[/CIF]
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The crystal structure described by LuVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form distorted corner-sharing OLu2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LuVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.659
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.241
_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
  Lu  Lu0  1  0.023  0.929  0.750  1.0
  Lu  Lu1  1  0.477  0.429  0.750  1.0
  Lu  Lu2  1  0.523  0.571  0.250  1.0
  Lu  Lu3  1  0.977  0.071  0.250  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.130  0.445  0.250  1.0
  O  O9  1  0.190  0.186  0.935  1.0
  O  O10  1  0.190  0.186  0.565  1.0
  O  O11  1  0.310  0.686  0.935  1.0
  O  O12  1  0.310  0.686  0.565  1.0
  O  O13  1  0.370  0.945  0.250  1.0
  O  O14  1  0.630  0.055  0.750  1.0
  O  O15  1  0.690  0.314  0.435  1.0
  O  O16  1  0.690  0.314  0.065  1.0
  O  O17  1  0.810  0.814  0.435  1.0
  O  O18  1  0.810  0.814  0.065  1.0
  O  O19  1  0.870  0.555  0.750  1.0
[/CIF]
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