The crystal structure described by TbMnO3 crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Mn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.407
_cell_length_b   6.038
_cell_length_c   13.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.823
_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
  Tb  Tb0  1  0.746  0.744  0.250  1.0
  Tb  Tb1  1  0.754  0.244  0.250  1.0
  Tb  Tb2  1  0.254  0.256  0.750  1.0
  Tb  Tb3  1  0.246  0.756  0.750  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.245  0.993  0.250  1.0
  O  O9  1  0.255  0.493  0.250  1.0
  O  O10  1  0.755  0.007  0.750  1.0
  O  O11  1  0.745  0.507  0.750  1.0
  O  O12  1  0.771  0.740  0.077  1.0
  O  O13  1  0.729  0.240  0.423  1.0
  O  O14  1  0.229  0.260  0.577  1.0
  O  O15  1  0.271  0.760  0.923  1.0
  O  O16  1  0.229  0.260  0.923  1.0
  O  O17  1  0.271  0.760  0.577  1.0
  O  O18  1  0.771  0.740  0.423  1.0
  O  O19  1  0.729  0.240  0.077  1.0
[/CIF]
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The crystal structure described by TbMnO3 crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Mn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.407
_cell_length_b   6.038
_cell_length_c   13.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.823
_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
  Tb  Tb0  1  0.746  0.744  0.250  1.0
  Tb  Tb1  1  0.754  0.244  0.250  1.0
  Tb  Tb2  1  0.254  0.256  0.750  1.0
  Tb  Tb3  1  0.246  0.756  0.750  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.245  0.993  0.250  1.0
  O  O9  1  0.255  0.493  0.250  1.0
  O  O10  1  0.755  0.007  0.750  1.0
  O  O11  1  0.745  0.507  0.750  1.0
  O  O12  1  0.771  0.740  0.077  1.0
  O  O13  1  0.729  0.240  0.423  1.0
  O  O14  1  0.229  0.260  0.577  1.0
  O  O15  1  0.271  0.760  0.923  1.0
  O  O16  1  0.229  0.260  0.923  1.0
  O  O17  1  0.271  0.760  0.577  1.0
  O  O18  1  0.771  0.740  0.423  1.0
  O  O19  1  0.729  0.240  0.077  1.0
[/CIF]
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