The material structure described by TiWZnP3O12 crystallizes in the trigonal R3c space group. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. W(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. is represented by the CIF card [CIF]
data_TiZnP3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   60.483
_cell_angle_beta   60.483
_cell_angle_gamma   60.483
_symmetry_Int_Tables_number   1
_cell_volume   470.985
_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
  Ti  Ti0  1  0.147  0.147  0.147  1.0
  Ti  Ti1  1  0.647  0.647  0.647  1.0
  Zn  Zn2  1  0.002  0.002  0.002  1.0
  Zn  Zn3  1  0.502  0.502  0.502  1.0
  P  P4  1  0.041  0.448  0.759  1.0
  P  P5  1  0.448  0.759  0.041  1.0
  P  P6  1  0.759  0.041  0.448  1.0
  P  P7  1  0.259  0.948  0.541  1.0
  P  P8  1  0.541  0.259  0.948  1.0
  P  P9  1  0.948  0.541  0.259  1.0
  W  W10  1  0.358  0.358  0.358  1.0
  W  W11  1  0.858  0.858  0.858  1.0
  O  O12  1  0.094  0.502  0.331  1.0
  O  O13  1  0.331  0.094  0.502  1.0
  O  O14  1  0.052  0.254  0.918  1.0
  O  O15  1  0.502  0.331  0.094  1.0
  O  O16  1  0.002  0.594  0.831  1.0
  O  O17  1  0.235  0.433  0.603  1.0
  O  O18  1  0.254  0.918  0.052  1.0
  O  O19  1  0.433  0.603  0.235  1.0
  O  O20  1  0.193  0.002  0.377  1.0
  O  O21  1  0.603  0.235  0.433  1.0
  O  O22  1  0.103  0.933  0.735  1.0
  O  O23  1  0.377  0.193  0.002  1.0
  O  O24  1  0.594  0.831  0.002  1.0
  O  O25  1  0.918  0.052  0.254  1.0
  O  O26  1  0.418  0.754  0.552  1.0
  O  O27  1  0.831  0.002  0.594  1.0
  O  O28  1  0.552  0.418  0.754  1.0
  O  O29  1  0.735  0.103  0.933  1.0
  O  O30  1  0.754  0.552  0.418  1.0
  O  O31  1  0.002  0.377  0.193  1.0
  O  O32  1  0.502  0.693  0.877  1.0
  O  O33  1  0.933  0.735  0.103  1.0
  O  O34  1  0.693  0.877  0.502  1.0
  O  O35  1  0.877  0.502  0.693  1.0
[/CIF]
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The material structure described by TiWZnP3O12 crystallizes in the trigonal R3c space group. Ti(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. W(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. is represented by the CIF card [CIF]
data_TiZnP3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   60.483
_cell_angle_beta   60.483
_cell_angle_gamma   60.483
_symmetry_Int_Tables_number   1
_cell_volume   470.985
_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
  Ti  Ti0  1  0.147  0.147  0.147  1.0
  Ti  Ti1  1  0.647  0.647  0.647  1.0
  Zn  Zn2  1  0.002  0.002  0.002  1.0
  Zn  Zn3  1  0.502  0.502  0.502  1.0
  P  P4  1  0.041  0.448  0.759  1.0
  P  P5  1  0.448  0.759  0.041  1.0
  P  P6  1  0.759  0.041  0.448  1.0
  P  P7  1  0.259  0.948  0.541  1.0
  P  P8  1  0.541  0.259  0.948  1.0
  P  P9  1  0.948  0.541  0.259  1.0
  W  W10  1  0.358  0.358  0.358  1.0
  W  W11  1  0.858  0.858  0.858  1.0
  O  O12  1  0.094  0.502  0.331  1.0
  O  O13  1  0.331  0.094  0.502  1.0
  O  O14  1  0.052  0.254  0.918  1.0
  O  O15  1  0.502  0.331  0.094  1.0
  O  O16  1  0.002  0.594  0.831  1.0
  O  O17  1  0.235  0.433  0.603  1.0
  O  O18  1  0.254  0.918  0.052  1.0
  O  O19  1  0.433  0.603  0.235  1.0
  O  O20  1  0.193  0.002  0.377  1.0
  O  O21  1  0.603  0.235  0.433  1.0
  O  O22  1  0.103  0.933  0.735  1.0
  O  O23  1  0.377  0.193  0.002  1.0
  O  O24  1  0.594  0.831  0.002  1.0
  O  O25  1  0.918  0.052  0.254  1.0
  O  O26  1  0.418  0.754  0.552  1.0
  O  O27  1  0.831  0.002  0.594  1.0
  O  O28  1  0.552  0.418  0.754  1.0
  O  O29  1  0.735  0.103  0.933  1.0
  O  O30  1  0.754  0.552  0.418  1.0
  O  O31  1  0.002  0.377  0.193  1.0
  O  O32  1  0.502  0.693  0.877  1.0
  O  O33  1  0.933  0.735  0.103  1.0
  O  O34  1  0.693  0.877  0.502  1.0
  O  O35  1  0.877  0.502  0.693  1.0
[/CIF]
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