The compound described by LiTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-56°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 33-46°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-42°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.694
_cell_length_b   7.320
_cell_length_c   8.331
_cell_angle_alpha   90.129
_cell_angle_beta   42.236
_cell_angle_gamma   108.405
_symmetry_Int_Tables_number   1
_cell_volume   206.360
_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
  Li  Li0  1  0.059  0.872  0.143  1.0
  Ti  Ti1  1  0.495  0.482  0.510  1.0
  Ti  Ti2  1  0.498  0.013  0.519  1.0
  Zn  Zn3  1  0.521  0.297  0.175  1.0
  Zn  Zn4  1  0.771  0.768  0.656  1.0
  P  P5  1  0.520  0.267  0.858  1.0
  P  P6  1  0.477  0.734  0.145  1.0
  O  O7  1  0.506  0.085  0.766  1.0
  O  O8  1  0.523  0.440  0.751  1.0
  O  O9  1  0.406  0.884  0.295  1.0
  O  O10  1  0.529  0.576  0.228  1.0
  O  O11  1  0.142  0.641  0.189  1.0
  O  O12  1  0.860  0.848  0.844  1.0
  O  O13  1  0.872  0.359  0.803  1.0
  O  O14  1  0.156  0.170  0.160  1.0
  O  O15  1  0.584  0.771  0.534  1.0
  O  O16  1  0.488  0.240  0.409  1.0
[/CIF]
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The compound described by LiTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-56°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 33-46°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-42°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Zn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.694
_cell_length_b   7.320
_cell_length_c   8.331
_cell_angle_alpha   90.129
_cell_angle_beta   42.236
_cell_angle_gamma   108.405
_symmetry_Int_Tables_number   1
_cell_volume   206.360
_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
  Li  Li0  1  0.059  0.872  0.143  1.0
  Ti  Ti1  1  0.495  0.482  0.510  1.0
  Ti  Ti2  1  0.498  0.013  0.519  1.0
  Zn  Zn3  1  0.521  0.297  0.175  1.0
  Zn  Zn4  1  0.771  0.768  0.656  1.0
  P  P5  1  0.520  0.267  0.858  1.0
  P  P6  1  0.477  0.734  0.145  1.0
  O  O7  1  0.506  0.085  0.766  1.0
  O  O8  1  0.523  0.440  0.751  1.0
  O  O9  1  0.406  0.884  0.295  1.0
  O  O10  1  0.529  0.576  0.228  1.0
  O  O11  1  0.142  0.641  0.189  1.0
  O  O12  1  0.860  0.848  0.844  1.0
  O  O13  1  0.872  0.359  0.803  1.0
  O  O14  1  0.156  0.170  0.160  1.0
  O  O15  1  0.584  0.771  0.534  1.0
  O  O16  1  0.488  0.240  0.409  1.0
[/CIF]
.