The material described by TbPO4 crystallizes in the orthorhombic Pbcm space group. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), and six equivalent O(1) atoms. P(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent P(1) atoms to form distorted corner-sharing OTb2P2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_TbPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   6.853
_cell_length_c   6.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.106
_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  0.487  0.750  0.309  1.0
  Tb  Tb1  1  0.513  0.250  0.691  1.0
  Tb  Tb2  1  0.487  0.250  0.191  1.0
  Tb  Tb3  1  0.513  0.750  0.809  1.0
  P  P4  1  0.000  0.500  0.500  1.0
  P  P5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.000  0.500  0.000  1.0
  P  P7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.708  0.564  0.075  1.0
  O  O9  1  0.292  0.064  0.925  1.0
  O  O10  1  0.708  0.436  0.425  1.0
  O  O11  1  0.292  0.936  0.575  1.0
  O  O12  1  0.292  0.436  0.925  1.0
  O  O13  1  0.708  0.936  0.075  1.0
  O  O14  1  0.292  0.564  0.575  1.0
  O  O15  1  0.708  0.064  0.425  1.0
  O  O16  1  0.147  0.500  0.250  1.0
  O  O17  1  0.853  0.000  0.750  1.0
  O  O18  1  0.853  0.500  0.750  1.0
  O  O19  1  0.147  0.000  0.250  1.0
  O  O20  1  0.882  0.750  0.476  1.0
  O  O21  1  0.118  0.250  0.524  1.0
  O  O22  1  0.882  0.250  0.024  1.0
  O  O23  1  0.118  0.750  0.976  1.0
[/CIF]
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The material described by TbPO4 crystallizes in the orthorhombic Pbcm space group. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), and six equivalent O(1) atoms. P(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent P(1) atoms to form distorted corner-sharing OTb2P2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_TbPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   6.853
_cell_length_c   6.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.106
_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  0.487  0.750  0.309  1.0
  Tb  Tb1  1  0.513  0.250  0.691  1.0
  Tb  Tb2  1  0.487  0.250  0.191  1.0
  Tb  Tb3  1  0.513  0.750  0.809  1.0
  P  P4  1  0.000  0.500  0.500  1.0
  P  P5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.000  0.500  0.000  1.0
  P  P7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.708  0.564  0.075  1.0
  O  O9  1  0.292  0.064  0.925  1.0
  O  O10  1  0.708  0.436  0.425  1.0
  O  O11  1  0.292  0.936  0.575  1.0
  O  O12  1  0.292  0.436  0.925  1.0
  O  O13  1  0.708  0.936  0.075  1.0
  O  O14  1  0.292  0.564  0.575  1.0
  O  O15  1  0.708  0.064  0.425  1.0
  O  O16  1  0.147  0.500  0.250  1.0
  O  O17  1  0.853  0.000  0.750  1.0
  O  O18  1  0.853  0.500  0.750  1.0
  O  O19  1  0.147  0.000  0.250  1.0
  O  O20  1  0.882  0.750  0.476  1.0
  O  O21  1  0.118  0.250  0.524  1.0
  O  O22  1  0.882  0.250  0.024  1.0
  O  O23  1  0.118  0.750  0.976  1.0
[/CIF]
.