The material structure described by TmCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(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 37-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OTm2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_TmCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.166
_cell_length_b   5.510
_cell_length_c   7.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.015
_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
  Tm  Tm0  1  0.521  0.573  0.250  1.0
  Tm  Tm1  1  0.979  0.073  0.250  1.0
  Tm  Tm2  1  0.479  0.427  0.750  1.0
  Tm  Tm3  1  0.021  0.927  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.382  0.958  0.250  1.0
  O  O9  1  0.118  0.458  0.250  1.0
  O  O10  1  0.618  0.042  0.750  1.0
  O  O11  1  0.882  0.542  0.750  1.0
  O  O12  1  0.811  0.805  0.060  1.0
  O  O13  1  0.689  0.305  0.440  1.0
  O  O14  1  0.189  0.195  0.560  1.0
  O  O15  1  0.311  0.695  0.940  1.0
  O  O16  1  0.189  0.195  0.940  1.0
  O  O17  1  0.311  0.695  0.560  1.0
  O  O18  1  0.811  0.805  0.440  1.0
  O  O19  1  0.689  0.305  0.060  1.0
[/CIF]
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The material structure described by TmCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(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 37-38°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OTm2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_TmCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.166
_cell_length_b   5.510
_cell_length_c   7.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.015
_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
  Tm  Tm0  1  0.521  0.573  0.250  1.0
  Tm  Tm1  1  0.979  0.073  0.250  1.0
  Tm  Tm2  1  0.479  0.427  0.750  1.0
  Tm  Tm3  1  0.021  0.927  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.382  0.958  0.250  1.0
  O  O9  1  0.118  0.458  0.250  1.0
  O  O10  1  0.618  0.042  0.750  1.0
  O  O11  1  0.882  0.542  0.750  1.0
  O  O12  1  0.811  0.805  0.060  1.0
  O  O13  1  0.689  0.305  0.440  1.0
  O  O14  1  0.189  0.195  0.560  1.0
  O  O15  1  0.311  0.695  0.940  1.0
  O  O16  1  0.189  0.195  0.940  1.0
  O  O17  1  0.311  0.695  0.560  1.0
  O  O18  1  0.811  0.805  0.440  1.0
  O  O19  1  0.689  0.305  0.060  1.0
[/CIF]
.