The material structure described by PTeO5 crystallizes in the orthorhombic Pnma space group. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. Te(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.481
_cell_length_c   7.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.107
_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
  Te  Te0  1  0.250  0.130  0.749  1.0
  Te  Te1  1  0.750  0.370  0.249  1.0
  Te  Te2  1  0.250  0.630  0.751  1.0
  Te  Te3  1  0.750  0.870  0.251  1.0
  P  P4  1  0.750  0.128  0.633  1.0
  P  P5  1  0.250  0.372  0.133  1.0
  P  P6  1  0.750  0.628  0.867  1.0
  P  P7  1  0.250  0.872  0.367  1.0
  O  O8  1  0.250  0.046  0.478  1.0
  O  O9  1  0.750  0.119  0.175  1.0
  O  O10  1  0.564  0.131  0.760  1.0
  O  O11  1  0.936  0.131  0.760  1.0
  O  O12  1  0.250  0.204  0.013  1.0
  O  O13  1  0.750  0.296  0.513  1.0
  O  O14  1  0.064  0.369  0.260  1.0
  O  O15  1  0.436  0.369  0.260  1.0
  O  O16  1  0.250  0.381  0.675  1.0
  O  O17  1  0.750  0.454  0.978  1.0
  O  O18  1  0.250  0.546  0.022  1.0
  O  O19  1  0.750  0.619  0.325  1.0
  O  O20  1  0.564  0.631  0.740  1.0
  O  O21  1  0.936  0.631  0.740  1.0
  O  O22  1  0.250  0.704  0.487  1.0
  O  O23  1  0.750  0.796  0.987  1.0
  O  O24  1  0.064  0.869  0.240  1.0
  O  O25  1  0.436  0.869  0.240  1.0
  O  O26  1  0.250  0.881  0.825  1.0
  O  O27  1  0.750  0.954  0.522  1.0
[/CIF]
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The material structure described by PTeO5 crystallizes in the orthorhombic Pnma space group. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. Te(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   7.481
_cell_length_c   7.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.107
_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
  Te  Te0  1  0.250  0.130  0.749  1.0
  Te  Te1  1  0.750  0.370  0.249  1.0
  Te  Te2  1  0.250  0.630  0.751  1.0
  Te  Te3  1  0.750  0.870  0.251  1.0
  P  P4  1  0.750  0.128  0.633  1.0
  P  P5  1  0.250  0.372  0.133  1.0
  P  P6  1  0.750  0.628  0.867  1.0
  P  P7  1  0.250  0.872  0.367  1.0
  O  O8  1  0.250  0.046  0.478  1.0
  O  O9  1  0.750  0.119  0.175  1.0
  O  O10  1  0.564  0.131  0.760  1.0
  O  O11  1  0.936  0.131  0.760  1.0
  O  O12  1  0.250  0.204  0.013  1.0
  O  O13  1  0.750  0.296  0.513  1.0
  O  O14  1  0.064  0.369  0.260  1.0
  O  O15  1  0.436  0.369  0.260  1.0
  O  O16  1  0.250  0.381  0.675  1.0
  O  O17  1  0.750  0.454  0.978  1.0
  O  O18  1  0.250  0.546  0.022  1.0
  O  O19  1  0.750  0.619  0.325  1.0
  O  O20  1  0.564  0.631  0.740  1.0
  O  O21  1  0.936  0.631  0.740  1.0
  O  O22  1  0.250  0.704  0.487  1.0
  O  O23  1  0.750  0.796  0.987  1.0
  O  O24  1  0.064  0.869  0.240  1.0
  O  O25  1  0.436  0.869  0.240  1.0
  O  O26  1  0.250  0.881  0.825  1.0
  O  O27  1  0.750  0.954  0.522  1.0
[/CIF]
.