The structure described by TmVO3 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. 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 38-41°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1) and two equivalent V(1) atoms to form distorted corner-sharing OTm2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_TmVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.628
_cell_length_c   7.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.704
_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  0.022  0.927  0.250  1.0
  Tm  Tm1  1  0.478  0.427  0.250  1.0
  Tm  Tm2  1  0.522  0.573  0.750  1.0
  Tm  Tm3  1  0.978  0.073  0.750  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.124  0.450  0.750  1.0
  O  O9  1  0.191  0.188  0.439  1.0
  O  O10  1  0.191  0.188  0.061  1.0
  O  O11  1  0.309  0.688  0.439  1.0
  O  O12  1  0.309  0.688  0.061  1.0
  O  O13  1  0.376  0.950  0.750  1.0
  O  O14  1  0.624  0.050  0.250  1.0
  O  O15  1  0.691  0.312  0.939  1.0
  O  O16  1  0.691  0.312  0.561  1.0
  O  O17  1  0.809  0.812  0.939  1.0
  O  O18  1  0.809  0.812  0.561  1.0
  O  O19  1  0.876  0.550  0.250  1.0
[/CIF]
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The structure described by TmVO3 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. 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 38-41°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1) and two equivalent V(1) atoms to form distorted corner-sharing OTm2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_TmVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.628
_cell_length_c   7.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.704
_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  0.022  0.927  0.250  1.0
  Tm  Tm1  1  0.478  0.427  0.250  1.0
  Tm  Tm2  1  0.522  0.573  0.750  1.0
  Tm  Tm3  1  0.978  0.073  0.750  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.124  0.450  0.750  1.0
  O  O9  1  0.191  0.188  0.439  1.0
  O  O10  1  0.191  0.188  0.061  1.0
  O  O11  1  0.309  0.688  0.439  1.0
  O  O12  1  0.309  0.688  0.061  1.0
  O  O13  1  0.376  0.950  0.750  1.0
  O  O14  1  0.624  0.050  0.250  1.0
  O  O15  1  0.691  0.312  0.939  1.0
  O  O16  1  0.691  0.312  0.561  1.0
  O  O17  1  0.809  0.812  0.939  1.0
  O  O18  1  0.809  0.812  0.561  1.0
  O  O19  1  0.876  0.550  0.250  1.0
[/CIF]
.