The compound described by PHTeO5 crystallizes in the triclinic P-1 space group. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) 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 51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one H(1), one Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one P(1), one H(1), and one Te(1) atom. 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 distorted bent 150 degrees geometry to one P(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_TePHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   7.992
_cell_length_c   5.422
_cell_angle_alpha   110.860
_cell_angle_beta   96.347
_cell_angle_gamma   106.498
_symmetry_Int_Tables_number   1
_cell_volume   206.962
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Te  Te1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.356  0.226  0.663  1.0
  P  P3  1  0.644  0.774  0.337  1.0
  H  H4  1  0.038  0.338  0.368  1.0
  H  H5  1  0.962  0.662  0.632  1.0
  O  O6  1  0.049  0.718  0.831  1.0
  O  O7  1  0.191  0.362  0.686  1.0
  O  O8  1  0.355  0.660  0.311  1.0
  O  O9  1  0.249  0.058  0.378  1.0
  O  O10  1  0.339  0.150  0.888  1.0
  O  O11  1  0.661  0.850  0.112  1.0
  O  O12  1  0.751  0.942  0.622  1.0
  O  O13  1  0.645  0.340  0.689  1.0
  O  O14  1  0.809  0.638  0.314  1.0
  O  O15  1  0.951  0.282  0.169  1.0
[/CIF]
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The compound described by PHTeO5 crystallizes in the triclinic P-1 space group. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) 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 51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one H(1), one Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one P(1), one H(1), and one Te(1) atom. 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 distorted bent 150 degrees geometry to one P(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_TePHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   7.992
_cell_length_c   5.422
_cell_angle_alpha   110.860
_cell_angle_beta   96.347
_cell_angle_gamma   106.498
_symmetry_Int_Tables_number   1
_cell_volume   206.962
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Te  Te1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.356  0.226  0.663  1.0
  P  P3  1  0.644  0.774  0.337  1.0
  H  H4  1  0.038  0.338  0.368  1.0
  H  H5  1  0.962  0.662  0.632  1.0
  O  O6  1  0.049  0.718  0.831  1.0
  O  O7  1  0.191  0.362  0.686  1.0
  O  O8  1  0.355  0.660  0.311  1.0
  O  O9  1  0.249  0.058  0.378  1.0
  O  O10  1  0.339  0.150  0.888  1.0
  O  O11  1  0.661  0.850  0.112  1.0
  O  O12  1  0.751  0.942  0.622  1.0
  O  O13  1  0.645  0.340  0.689  1.0
  O  O14  1  0.809  0.638  0.314  1.0
  O  O15  1  0.951  0.282  0.169  1.0
[/CIF]
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