The material described by TiZnP2O7 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form TiO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 square pyramid. Zn(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form ZnO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  an edgeedge with one Zn(1)O5 square pyramid, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Ti(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_TiZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   6.539
_cell_length_c   7.316
_cell_angle_alpha   82.275
_cell_angle_beta   84.238
_cell_angle_gamma   69.162
_symmetry_Int_Tables_number   1
_cell_volume   266.021
_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  0.248  0.147  0.195  1.0
  Ti  Ti1  1  0.752  0.853  0.805  1.0
  Zn  Zn2  1  0.367  0.655  0.668  1.0
  Zn  Zn3  1  0.633  0.345  0.332  1.0
  P  P4  1  0.180  0.671  0.097  1.0
  P  P5  1  0.820  0.329  0.903  1.0
  P  P6  1  0.239  0.207  0.615  1.0
  P  P7  1  0.761  0.793  0.385  1.0
  O  O8  1  0.115  0.703  0.893  1.0
  O  O9  1  0.885  0.297  0.107  1.0
  O  O10  1  0.275  0.838  0.148  1.0
  O  O11  1  0.725  0.162  0.852  1.0
  O  O12  1  0.347  0.433  0.153  1.0
  O  O13  1  0.653  0.567  0.847  1.0
  O  O14  1  0.617  0.635  0.433  1.0
  O  O15  1  0.383  0.365  0.567  1.0
  O  O16  1  0.085  0.212  0.459  1.0
  O  O17  1  0.915  0.788  0.541  1.0
  O  O18  1  0.072  0.306  0.792  1.0
  O  O19  1  0.605  0.028  0.315  1.0
  O  O20  1  0.395  0.972  0.685  1.0
  O  O21  1  0.928  0.694  0.208  1.0
[/CIF]
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The material described by TiZnP2O7 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form TiO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 square pyramid. Zn(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form ZnO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  an edgeedge with one Zn(1)O5 square pyramid, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Ti(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_TiZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   6.539
_cell_length_c   7.316
_cell_angle_alpha   82.275
_cell_angle_beta   84.238
_cell_angle_gamma   69.162
_symmetry_Int_Tables_number   1
_cell_volume   266.021
_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  0.248  0.147  0.195  1.0
  Ti  Ti1  1  0.752  0.853  0.805  1.0
  Zn  Zn2  1  0.367  0.655  0.668  1.0
  Zn  Zn3  1  0.633  0.345  0.332  1.0
  P  P4  1  0.180  0.671  0.097  1.0
  P  P5  1  0.820  0.329  0.903  1.0
  P  P6  1  0.239  0.207  0.615  1.0
  P  P7  1  0.761  0.793  0.385  1.0
  O  O8  1  0.115  0.703  0.893  1.0
  O  O9  1  0.885  0.297  0.107  1.0
  O  O10  1  0.275  0.838  0.148  1.0
  O  O11  1  0.725  0.162  0.852  1.0
  O  O12  1  0.347  0.433  0.153  1.0
  O  O13  1  0.653  0.567  0.847  1.0
  O  O14  1  0.617  0.635  0.433  1.0
  O  O15  1  0.383  0.365  0.567  1.0
  O  O16  1  0.085  0.212  0.459  1.0
  O  O17  1  0.915  0.788  0.541  1.0
  O  O18  1  0.072  0.306  0.792  1.0
  O  O19  1  0.605  0.028  0.315  1.0
  O  O20  1  0.395  0.972  0.685  1.0
  O  O21  1  0.928  0.694  0.208  1.0
[/CIF]
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