The compound described by TiZnSb(PO4)3 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. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) 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. The corner-sharing octahedral tilt angles range from 16-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(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 Zn(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one P(1) atom. is represented by the CIF file [CIF]
data_TiZnSb(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.410
_cell_length_b   8.410
_cell_length_c   8.410
_cell_angle_alpha   63.815
_cell_angle_beta   63.815
_cell_angle_gamma   63.815
_symmetry_Int_Tables_number   1
_cell_volume   455.934
_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  0.849  0.849  0.849  1.0
  Ti  Ti1  1  0.349  0.349  0.349  1.0
  Zn  Zn2  1  0.004  0.004  0.004  1.0
  Zn  Zn3  1  0.504  0.504  0.504  1.0
  Sb  Sb4  1  0.664  0.664  0.664  1.0
  Sb  Sb5  1  0.164  0.164  0.164  1.0
  P  P6  1  0.246  0.933  0.568  1.0
  P  P7  1  0.933  0.568  0.246  1.0
  P  P8  1  0.568  0.246  0.933  1.0
  P  P9  1  0.433  0.746  0.068  1.0
  P  P10  1  0.068  0.433  0.746  1.0
  P  P11  1  0.746  0.068  0.433  1.0
  O  O12  1  0.674  0.933  0.431  1.0
  O  O13  1  0.431  0.674  0.933  1.0
  O  O14  1  0.092  0.928  0.760  1.0
  O  O15  1  0.933  0.431  0.674  1.0
  O  O16  1  0.174  0.931  0.433  1.0
  O  O17  1  0.417  0.754  0.584  1.0
  O  O18  1  0.928  0.760  0.092  1.0
  O  O19  1  0.754  0.584  0.417  1.0
  O  O20  1  0.618  0.797  0.997  1.0
  O  O21  1  0.584  0.417  0.754  1.0
  O  O22  1  0.254  0.917  0.084  1.0
  O  O23  1  0.997  0.618  0.797  1.0
  O  O24  1  0.931  0.433  0.174  1.0
  O  O25  1  0.760  0.092  0.928  1.0
  O  O26  1  0.428  0.592  0.260  1.0
  O  O27  1  0.433  0.174  0.931  1.0
  O  O28  1  0.260  0.428  0.592  1.0
  O  O29  1  0.084  0.254  0.917  1.0
  O  O30  1  0.592  0.260  0.428  1.0
  O  O31  1  0.797  0.997  0.618  1.0
  O  O32  1  0.118  0.497  0.297  1.0
  O  O33  1  0.917  0.084  0.254  1.0
  O  O34  1  0.497  0.297  0.118  1.0
  O  O35  1  0.297  0.118  0.497  1.0
[/CIF]
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The compound described by TiZnSb(PO4)3 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. Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) 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. The corner-sharing octahedral tilt angles range from 16-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(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 Zn(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ti(1) and one P(1) atom. is represented by the CIF file [CIF]
data_TiZnSb(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.410
_cell_length_b   8.410
_cell_length_c   8.410
_cell_angle_alpha   63.815
_cell_angle_beta   63.815
_cell_angle_gamma   63.815
_symmetry_Int_Tables_number   1
_cell_volume   455.934
_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  0.849  0.849  0.849  1.0
  Ti  Ti1  1  0.349  0.349  0.349  1.0
  Zn  Zn2  1  0.004  0.004  0.004  1.0
  Zn  Zn3  1  0.504  0.504  0.504  1.0
  Sb  Sb4  1  0.664  0.664  0.664  1.0
  Sb  Sb5  1  0.164  0.164  0.164  1.0
  P  P6  1  0.246  0.933  0.568  1.0
  P  P7  1  0.933  0.568  0.246  1.0
  P  P8  1  0.568  0.246  0.933  1.0
  P  P9  1  0.433  0.746  0.068  1.0
  P  P10  1  0.068  0.433  0.746  1.0
  P  P11  1  0.746  0.068  0.433  1.0
  O  O12  1  0.674  0.933  0.431  1.0
  O  O13  1  0.431  0.674  0.933  1.0
  O  O14  1  0.092  0.928  0.760  1.0
  O  O15  1  0.933  0.431  0.674  1.0
  O  O16  1  0.174  0.931  0.433  1.0
  O  O17  1  0.417  0.754  0.584  1.0
  O  O18  1  0.928  0.760  0.092  1.0
  O  O19  1  0.754  0.584  0.417  1.0
  O  O20  1  0.618  0.797  0.997  1.0
  O  O21  1  0.584  0.417  0.754  1.0
  O  O22  1  0.254  0.917  0.084  1.0
  O  O23  1  0.997  0.618  0.797  1.0
  O  O24  1  0.931  0.433  0.174  1.0
  O  O25  1  0.760  0.092  0.928  1.0
  O  O26  1  0.428  0.592  0.260  1.0
  O  O27  1  0.433  0.174  0.931  1.0
  O  O28  1  0.260  0.428  0.592  1.0
  O  O29  1  0.084  0.254  0.917  1.0
  O  O30  1  0.592  0.260  0.428  1.0
  O  O31  1  0.797  0.997  0.618  1.0
  O  O32  1  0.118  0.497  0.297  1.0
  O  O33  1  0.917  0.084  0.254  1.0
  O  O34  1  0.497  0.297  0.118  1.0
  O  O35  1  0.297  0.118  0.497  1.0
[/CIF]
.