The compound described by NaLi3Ti2Cr2(PO4)6 crystallizes in the trigonal R3 space group. Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-71°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 trigonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-47°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi3Ti2Cr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.884
_cell_length_b   8.884
_cell_length_c   8.884
_cell_angle_alpha   56.985
_cell_angle_beta   56.985
_cell_angle_gamma   56.985
_symmetry_Int_Tables_number   1
_cell_volume   461.361
_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
  Na  Na0  1  0.006  0.006  0.006  1.0
  Li  Li1  1  0.275  0.906  0.653  1.0
  Li  Li2  1  0.653  0.275  0.906  1.0
  Li  Li3  1  0.906  0.653  0.275  1.0
  Ti  Ti4  1  0.358  0.358  0.358  1.0
  Ti  Ti5  1  0.144  0.144  0.144  1.0
  Cr  Cr6  1  0.854  0.854  0.854  1.0
  Cr  Cr7  1  0.650  0.650  0.650  1.0
  P  P8  1  0.246  0.538  0.969  1.0
  P  P9  1  0.034  0.754  0.460  1.0
  P  P10  1  0.460  0.034  0.754  1.0
  P  P11  1  0.538  0.969  0.246  1.0
  P  P12  1  0.969  0.246  0.538  1.0
  P  P13  1  0.754  0.460  0.034  1.0
  O  O14  1  0.464  0.850  0.766  1.0
  O  O15  1  0.766  0.464  0.850  1.0
  O  O16  1  0.190  0.384  0.001  1.0
  O  O17  1  0.114  0.746  0.883  1.0
  O  O18  1  0.850  0.766  0.464  1.0
  O  O19  1  0.259  0.108  0.898  1.0
  O  O20  1  0.004  0.801  0.617  1.0
  O  O21  1  0.455  0.512  0.827  1.0
  O  O22  1  0.187  0.549  0.471  1.0
  O  O23  1  0.617  0.004  0.801  1.0
  O  O24  1  0.108  0.898  0.259  1.0
  O  O25  1  0.471  0.187  0.549  1.0
  O  O26  1  0.512  0.827  0.455  1.0
  O  O27  1  0.883  0.114  0.746  1.0
  O  O28  1  0.384  0.001  0.190  1.0
  O  O29  1  0.827  0.455  0.512  1.0
  O  O30  1  0.549  0.471  0.187  1.0
  O  O31  1  0.001  0.190  0.384  1.0
  O  O32  1  0.746  0.883  0.114  1.0
  O  O33  1  0.168  0.210  0.523  1.0
  O  O34  1  0.898  0.259  0.108  1.0
  O  O35  1  0.801  0.617  0.004  1.0
  O  O36  1  0.210  0.523  0.168  1.0
  O  O37  1  0.523  0.168  0.210  1.0
[/CIF]
.
The compound described by NaLi3Ti2Cr2(PO4)6 crystallizes in the trigonal R3 space group. Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-71°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 trigonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-47°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi3Ti2Cr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.884
_cell_length_b   8.884
_cell_length_c   8.884
_cell_angle_alpha   56.985
_cell_angle_beta   56.985
_cell_angle_gamma   56.985
_symmetry_Int_Tables_number   1
_cell_volume   461.361
_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
  Na  Na0  1  0.006  0.006  0.006  1.0
  Li  Li1  1  0.275  0.906  0.653  1.0
  Li  Li2  1  0.653  0.275  0.906  1.0
  Li  Li3  1  0.906  0.653  0.275  1.0
  Ti  Ti4  1  0.358  0.358  0.358  1.0
  Ti  Ti5  1  0.144  0.144  0.144  1.0
  Cr  Cr6  1  0.854  0.854  0.854  1.0
  Cr  Cr7  1  0.650  0.650  0.650  1.0
  P  P8  1  0.246  0.538  0.969  1.0
  P  P9  1  0.034  0.754  0.460  1.0
  P  P10  1  0.460  0.034  0.754  1.0
  P  P11  1  0.538  0.969  0.246  1.0
  P  P12  1  0.969  0.246  0.538  1.0
  P  P13  1  0.754  0.460  0.034  1.0
  O  O14  1  0.464  0.850  0.766  1.0
  O  O15  1  0.766  0.464  0.850  1.0
  O  O16  1  0.190  0.384  0.001  1.0
  O  O17  1  0.114  0.746  0.883  1.0
  O  O18  1  0.850  0.766  0.464  1.0
  O  O19  1  0.259  0.108  0.898  1.0
  O  O20  1  0.004  0.801  0.617  1.0
  O  O21  1  0.455  0.512  0.827  1.0
  O  O22  1  0.187  0.549  0.471  1.0
  O  O23  1  0.617  0.004  0.801  1.0
  O  O24  1  0.108  0.898  0.259  1.0
  O  O25  1  0.471  0.187  0.549  1.0
  O  O26  1  0.512  0.827  0.455  1.0
  O  O27  1  0.883  0.114  0.746  1.0
  O  O28  1  0.384  0.001  0.190  1.0
  O  O29  1  0.827  0.455  0.512  1.0
  O  O30  1  0.549  0.471  0.187  1.0
  O  O31  1  0.001  0.190  0.384  1.0
  O  O32  1  0.746  0.883  0.114  1.0
  O  O33  1  0.168  0.210  0.523  1.0
  O  O34  1  0.898  0.259  0.108  1.0
  O  O35  1  0.801  0.617  0.004  1.0
  O  O36  1  0.210  0.523  0.168  1.0
  O  O37  1  0.523  0.168  0.210  1.0
[/CIF]
.