The material described by P4H3Te2O16 crystallizes in the triclinic P1 space group. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Te(2)O6 octahedra and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Te(2)O6 octahedra and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form TeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(4) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one Te(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one P(1) and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one Te(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(3) and one Te(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one P(1) and one Te(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(4) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one Te(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(2) and one Te(1) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one P(4) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one P(3) and one Te(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one Te(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.701
_cell_length_c   8.239
_cell_angle_alpha   90.763
_cell_angle_beta   91.244
_cell_angle_gamma   103.106
_symmetry_Int_Tables_number   1
_cell_volume   317.506
_cell_formula_units_Z   1
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  0.997  0.496  0.003  1.0
  Te  Te1  1  0.498  0.003  0.497  1.0
  P  P2  1  0.109  0.259  0.663  1.0
  P  P3  1  0.373  0.229  0.143  1.0
  P  P4  1  0.620  0.763  0.855  1.0
  P  P5  1  0.890  0.742  0.337  1.0
  H  H6  1  0.951  0.981  0.987  1.0
  H  H7  1  0.388  0.447  0.546  1.0
  H  H8  1  0.609  0.553  0.452  1.0
  O  O9  1  0.115  0.848  0.446  1.0
  O  O10  1  0.005  0.294  0.831  1.0
  O  O11  1  0.185  0.368  0.173  1.0
  O  O12  1  0.212  0.450  0.585  1.0
  O  O13  1  0.385  0.662  0.957  1.0
  O  O14  1  0.530  0.798  0.680  1.0
  O  O15  1  0.230  0.062  0.056  1.0
  O  O16  1  0.348  0.169  0.673  1.0
  O  O17  1  0.651  0.832  0.325  1.0
  O  O18  1  0.755  0.941  0.941  1.0
  O  O19  1  0.468  0.202  0.321  1.0
  O  O20  1  0.617  0.333  0.043  1.0
  O  O21  1  0.788  0.552  0.416  1.0
  O  O22  1  0.825  0.639  0.830  1.0
  O  O23  1  0.992  0.705  0.168  1.0
  O  O24  1  0.885  0.153  0.552  1.0
[/CIF]
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The material described by P4H3Te2O16 crystallizes in the triclinic P1 space group. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Te(2)O6 octahedra and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Te(2)O6 octahedra and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Te(1)O6 octahedra and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form TeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(4) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one Te(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one P(1) and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one Te(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(3) and one Te(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one P(1) and one Te(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(4) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one Te(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(2) and one Te(1) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one P(4) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one P(3) and one Te(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one Te(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.701
_cell_length_c   8.239
_cell_angle_alpha   90.763
_cell_angle_beta   91.244
_cell_angle_gamma   103.106
_symmetry_Int_Tables_number   1
_cell_volume   317.506
_cell_formula_units_Z   1
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  0.997  0.496  0.003  1.0
  Te  Te1  1  0.498  0.003  0.497  1.0
  P  P2  1  0.109  0.259  0.663  1.0
  P  P3  1  0.373  0.229  0.143  1.0
  P  P4  1  0.620  0.763  0.855  1.0
  P  P5  1  0.890  0.742  0.337  1.0
  H  H6  1  0.951  0.981  0.987  1.0
  H  H7  1  0.388  0.447  0.546  1.0
  H  H8  1  0.609  0.553  0.452  1.0
  O  O9  1  0.115  0.848  0.446  1.0
  O  O10  1  0.005  0.294  0.831  1.0
  O  O11  1  0.185  0.368  0.173  1.0
  O  O12  1  0.212  0.450  0.585  1.0
  O  O13  1  0.385  0.662  0.957  1.0
  O  O14  1  0.530  0.798  0.680  1.0
  O  O15  1  0.230  0.062  0.056  1.0
  O  O16  1  0.348  0.169  0.673  1.0
  O  O17  1  0.651  0.832  0.325  1.0
  O  O18  1  0.755  0.941  0.941  1.0
  O  O19  1  0.468  0.202  0.321  1.0
  O  O20  1  0.617  0.333  0.043  1.0
  O  O21  1  0.788  0.552  0.416  1.0
  O  O22  1  0.825  0.639  0.830  1.0
  O  O23  1  0.992  0.705  0.168  1.0
  O  O24  1  0.885  0.153  0.552  1.0
[/CIF]
.