The compound described by Li2Ti(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(12), one O(14), and one O(9) atom. Ti(1) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(15), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third P site, P(3) is bonded to one O(13), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-39°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.622
_cell_length_b   5.333
_cell_length_c   13.326
_cell_angle_alpha   70.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.480
_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
  Li  Li0  1  0.603  0.935  0.938  1.0
  Li  Li1  1  0.411  0.056  0.072  1.0
  Li  Li2  1  0.397  0.935  0.438  1.0
  Li  Li3  1  0.589  0.056  0.572  1.0
  Ti  Ti4  1  0.995  0.010  0.995  1.0
  Ti  Ti5  1  0.005  0.010  0.495  1.0
  P  P6  1  0.477  0.516  0.862  1.0
  P  P7  1  0.987  0.018  0.245  1.0
  P  P8  1  0.013  0.018  0.745  1.0
  P  P9  1  0.823  0.602  0.406  1.0
  P  P10  1  0.184  0.415  0.586  1.0
  P  P11  1  0.523  0.516  0.362  1.0
  P  P12  1  0.520  0.472  0.144  1.0
  P  P13  1  0.177  0.602  0.906  1.0
  P  P14  1  0.480  0.472  0.644  1.0
  P  P15  1  0.816  0.415  0.086  1.0
  O  O16  1  0.140  0.273  0.509  1.0
  O  O17  1  0.881  0.768  0.289  1.0
  O  O18  1  0.421  0.489  0.753  1.0
  O  O19  1  0.938  0.984  0.651  1.0
  O  O20  1  0.343  0.341  0.608  1.0
  O  O21  1  0.662  0.651  0.394  1.0
  O  O22  1  0.142  0.312  0.933  1.0
  O  O23  1  0.062  0.984  0.151  1.0
  O  O24  1  0.840  0.709  0.053  1.0
  O  O25  1  0.506  0.238  0.437  1.0
  O  O26  1  0.409  0.711  0.349  1.0
  O  O27  1  0.591  0.711  0.849  1.0
  O  O28  1  0.885  0.274  0.201  1.0
  O  O29  1  0.504  0.749  0.069  1.0
  O  O30  1  0.496  0.749  0.569  1.0
  O  O31  1  0.128  0.738  0.984  1.0
  O  O32  1  0.160  0.709  0.553  1.0
  O  O33  1  0.858  0.312  0.433  1.0
  O  O34  1  0.406  0.275  0.158  1.0
  O  O35  1  0.933  0.049  0.838  1.0
  O  O36  1  0.338  0.651  0.894  1.0
  O  O37  1  0.067  0.049  0.338  1.0
  O  O38  1  0.860  0.273  0.009  1.0
  O  O39  1  0.494  0.238  0.937  1.0
  O  O40  1  0.657  0.341  0.108  1.0
  O  O41  1  0.594  0.275  0.658  1.0
  O  O42  1  0.115  0.274  0.701  1.0
  O  O43  1  0.579  0.489  0.253  1.0
  O  O44  1  0.119  0.768  0.789  1.0
  O  O45  1  0.872  0.738  0.484  1.0
[/CIF]
.
The compound described by Li2Ti(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(12), one O(14), and one O(9) atom. Ti(1) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(6), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(15), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third P site, P(3) is bonded to one O(13), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-39°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.622
_cell_length_b   5.333
_cell_length_c   13.326
_cell_angle_alpha   70.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.480
_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
  Li  Li0  1  0.603  0.935  0.938  1.0
  Li  Li1  1  0.411  0.056  0.072  1.0
  Li  Li2  1  0.397  0.935  0.438  1.0
  Li  Li3  1  0.589  0.056  0.572  1.0
  Ti  Ti4  1  0.995  0.010  0.995  1.0
  Ti  Ti5  1  0.005  0.010  0.495  1.0
  P  P6  1  0.477  0.516  0.862  1.0
  P  P7  1  0.987  0.018  0.245  1.0
  P  P8  1  0.013  0.018  0.745  1.0
  P  P9  1  0.823  0.602  0.406  1.0
  P  P10  1  0.184  0.415  0.586  1.0
  P  P11  1  0.523  0.516  0.362  1.0
  P  P12  1  0.520  0.472  0.144  1.0
  P  P13  1  0.177  0.602  0.906  1.0
  P  P14  1  0.480  0.472  0.644  1.0
  P  P15  1  0.816  0.415  0.086  1.0
  O  O16  1  0.140  0.273  0.509  1.0
  O  O17  1  0.881  0.768  0.289  1.0
  O  O18  1  0.421  0.489  0.753  1.0
  O  O19  1  0.938  0.984  0.651  1.0
  O  O20  1  0.343  0.341  0.608  1.0
  O  O21  1  0.662  0.651  0.394  1.0
  O  O22  1  0.142  0.312  0.933  1.0
  O  O23  1  0.062  0.984  0.151  1.0
  O  O24  1  0.840  0.709  0.053  1.0
  O  O25  1  0.506  0.238  0.437  1.0
  O  O26  1  0.409  0.711  0.349  1.0
  O  O27  1  0.591  0.711  0.849  1.0
  O  O28  1  0.885  0.274  0.201  1.0
  O  O29  1  0.504  0.749  0.069  1.0
  O  O30  1  0.496  0.749  0.569  1.0
  O  O31  1  0.128  0.738  0.984  1.0
  O  O32  1  0.160  0.709  0.553  1.0
  O  O33  1  0.858  0.312  0.433  1.0
  O  O34  1  0.406  0.275  0.158  1.0
  O  O35  1  0.933  0.049  0.838  1.0
  O  O36  1  0.338  0.651  0.894  1.0
  O  O37  1  0.067  0.049  0.338  1.0
  O  O38  1  0.860  0.273  0.009  1.0
  O  O39  1  0.494  0.238  0.937  1.0
  O  O40  1  0.657  0.341  0.108  1.0
  O  O41  1  0.594  0.275  0.658  1.0
  O  O42  1  0.115  0.274  0.701  1.0
  O  O43  1  0.579  0.489  0.253  1.0
  O  O44  1  0.119  0.768  0.789  1.0
  O  O45  1  0.872  0.738  0.484  1.0
[/CIF]
.