The material described by LuCrO3 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. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OLu2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.485
_cell_length_c   7.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.023
_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  0.022  0.926  0.750  1.0
  Lu  Lu1  1  0.478  0.426  0.750  1.0
  Lu  Lu2  1  0.522  0.574  0.250  1.0
  Lu  Lu3  1  0.978  0.074  0.250  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  Cr  Cr6  1  0.500  0.000  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.123  0.453  0.250  1.0
  O  O9  1  0.187  0.193  0.562  1.0
  O  O10  1  0.187  0.193  0.938  1.0
  O  O11  1  0.313  0.693  0.562  1.0
  O  O12  1  0.313  0.693  0.938  1.0
  O  O13  1  0.377  0.953  0.250  1.0
  O  O14  1  0.623  0.047  0.750  1.0
  O  O15  1  0.687  0.307  0.062  1.0
  O  O16  1  0.687  0.307  0.438  1.0
  O  O17  1  0.813  0.807  0.062  1.0
  O  O18  1  0.813  0.807  0.438  1.0
  O  O19  1  0.877  0.547  0.750  1.0
[/CIF]
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The material described by LuCrO3 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. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OLu2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.485
_cell_length_c   7.457
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.023
_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  0.022  0.926  0.750  1.0
  Lu  Lu1  1  0.478  0.426  0.750  1.0
  Lu  Lu2  1  0.522  0.574  0.250  1.0
  Lu  Lu3  1  0.978  0.074  0.250  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  Cr  Cr6  1  0.500  0.000  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.123  0.453  0.250  1.0
  O  O9  1  0.187  0.193  0.562  1.0
  O  O10  1  0.187  0.193  0.938  1.0
  O  O11  1  0.313  0.693  0.562  1.0
  O  O12  1  0.313  0.693  0.938  1.0
  O  O13  1  0.377  0.953  0.250  1.0
  O  O14  1  0.623  0.047  0.750  1.0
  O  O15  1  0.687  0.307  0.062  1.0
  O  O16  1  0.687  0.307  0.438  1.0
  O  O17  1  0.813  0.807  0.062  1.0
  O  O18  1  0.813  0.807  0.438  1.0
  O  O19  1  0.877  0.547  0.750  1.0
[/CIF]
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