The compound described by LiTiCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 pentagonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 pentagonal pyramids and  a cornercorner with one Li(1)O4 tetrahedra. There are seven 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(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Ti(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one C(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. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. is represented by the CIF card [CIF]
data_LiTiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.336
_cell_length_b   5.686
_cell_length_c   8.592
_cell_angle_alpha   86.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.115
_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  0.896  0.248  0.165  1.0
  Li  Li1  1  0.396  0.752  0.835  1.0
  Ti  Ti2  1  0.774  0.786  0.338  1.0
  Ti  Ti3  1  0.274  0.214  0.662  1.0
  P  P4  1  0.276  0.736  0.456  1.0
  P  P5  1  0.776  0.264  0.544  1.0
  C  C6  1  0.736  0.738  0.055  1.0
  C  C7  1  0.236  0.262  0.945  1.0
  O  O8  1  0.579  0.203  0.643  1.0
  O  O9  1  0.766  0.942  0.120  1.0
  O  O10  1  0.268  0.437  0.836  1.0
  O  O11  1  0.768  0.563  0.164  1.0
  O  O12  1  0.471  0.796  0.355  1.0
  O  O13  1  0.782  0.123  0.394  1.0
  O  O14  1  0.971  0.204  0.645  1.0
  O  O15  1  0.282  0.877  0.606  1.0
  O  O16  1  0.079  0.797  0.357  1.0
  O  O17  1  0.275  0.470  0.508  1.0
  O  O18  1  0.678  0.711  0.921  1.0
  O  O19  1  0.178  0.289  0.079  1.0
  O  O20  1  0.775  0.530  0.492  1.0
  O  O21  1  0.266  0.058  0.880  1.0
[/CIF]
.
The compound described by LiTiCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 pentagonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 pentagonal pyramids and  a cornercorner with one Li(1)O4 tetrahedra. There are seven 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(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Ti(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one C(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. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. is represented by the CIF card [CIF]
data_LiTiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.336
_cell_length_b   5.686
_cell_length_c   8.592
_cell_angle_alpha   86.882
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.115
_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  0.896  0.248  0.165  1.0
  Li  Li1  1  0.396  0.752  0.835  1.0
  Ti  Ti2  1  0.774  0.786  0.338  1.0
  Ti  Ti3  1  0.274  0.214  0.662  1.0
  P  P4  1  0.276  0.736  0.456  1.0
  P  P5  1  0.776  0.264  0.544  1.0
  C  C6  1  0.736  0.738  0.055  1.0
  C  C7  1  0.236  0.262  0.945  1.0
  O  O8  1  0.579  0.203  0.643  1.0
  O  O9  1  0.766  0.942  0.120  1.0
  O  O10  1  0.268  0.437  0.836  1.0
  O  O11  1  0.768  0.563  0.164  1.0
  O  O12  1  0.471  0.796  0.355  1.0
  O  O13  1  0.782  0.123  0.394  1.0
  O  O14  1  0.971  0.204  0.645  1.0
  O  O15  1  0.282  0.877  0.606  1.0
  O  O16  1  0.079  0.797  0.357  1.0
  O  O17  1  0.275  0.470  0.508  1.0
  O  O18  1  0.678  0.711  0.921  1.0
  O  O19  1  0.178  0.289  0.079  1.0
  O  O20  1  0.775  0.530  0.492  1.0
  O  O21  1  0.266  0.058  0.880  1.0
[/CIF]
.