The material structure described by LiCr(PO3)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(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 39-62°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.615
_cell_length_b   6.615
_cell_length_c   9.836
_cell_angle_alpha   87.145
_cell_angle_beta   87.145
_cell_angle_gamma   58.225
_symmetry_Int_Tables_number   1
_cell_volume   365.323
_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  0.289  0.402  0.497  1.0
  Li  Li1  1  0.402  0.289  0.997  1.0
  Cr  Cr2  1  0.662  0.674  0.500  1.0
  Cr  Cr3  1  0.674  0.662  0.000  1.0
  P  P4  1  0.964  0.280  0.255  1.0
  P  P5  1  0.742  0.989  0.246  1.0
  P  P6  1  0.752  0.266  0.749  1.0
  P  P7  1  0.280  0.964  0.755  1.0
  P  P8  1  0.266  0.752  0.249  1.0
  P  P9  1  0.989  0.742  0.746  1.0
  O  O10  1  0.408  0.951  0.881  1.0
  O  O11  1  0.623  0.357  0.883  1.0
  O  O12  1  0.951  0.408  0.381  1.0
  O  O13  1  0.022  0.612  0.619  1.0
  O  O14  1  0.612  0.022  0.119  1.0
  O  O15  1  0.396  0.957  0.619  1.0
  O  O16  1  0.203  0.022  0.261  1.0
  O  O17  1  0.782  0.015  0.722  1.0
  O  O18  1  0.218  0.760  0.768  1.0
  O  O19  1  0.022  0.203  0.761  1.0
  O  O20  1  0.949  0.643  0.879  1.0
  O  O21  1  0.648  0.416  0.622  1.0
  O  O22  1  0.957  0.396  0.119  1.0
  O  O23  1  0.760  0.218  0.268  1.0
  O  O24  1  0.643  0.949  0.379  1.0
  O  O25  1  0.015  0.782  0.222  1.0
  O  O26  1  0.416  0.648  0.122  1.0
  O  O27  1  0.357  0.623  0.383  1.0
[/CIF]
.
The material structure described by LiCr(PO3)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(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 39-62°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.615
_cell_length_b   6.615
_cell_length_c   9.836
_cell_angle_alpha   87.145
_cell_angle_beta   87.145
_cell_angle_gamma   58.225
_symmetry_Int_Tables_number   1
_cell_volume   365.323
_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  0.289  0.402  0.497  1.0
  Li  Li1  1  0.402  0.289  0.997  1.0
  Cr  Cr2  1  0.662  0.674  0.500  1.0
  Cr  Cr3  1  0.674  0.662  0.000  1.0
  P  P4  1  0.964  0.280  0.255  1.0
  P  P5  1  0.742  0.989  0.246  1.0
  P  P6  1  0.752  0.266  0.749  1.0
  P  P7  1  0.280  0.964  0.755  1.0
  P  P8  1  0.266  0.752  0.249  1.0
  P  P9  1  0.989  0.742  0.746  1.0
  O  O10  1  0.408  0.951  0.881  1.0
  O  O11  1  0.623  0.357  0.883  1.0
  O  O12  1  0.951  0.408  0.381  1.0
  O  O13  1  0.022  0.612  0.619  1.0
  O  O14  1  0.612  0.022  0.119  1.0
  O  O15  1  0.396  0.957  0.619  1.0
  O  O16  1  0.203  0.022  0.261  1.0
  O  O17  1  0.782  0.015  0.722  1.0
  O  O18  1  0.218  0.760  0.768  1.0
  O  O19  1  0.022  0.203  0.761  1.0
  O  O20  1  0.949  0.643  0.879  1.0
  O  O21  1  0.648  0.416  0.622  1.0
  O  O22  1  0.957  0.396  0.119  1.0
  O  O23  1  0.760  0.218  0.268  1.0
  O  O24  1  0.643  0.949  0.379  1.0
  O  O25  1  0.015  0.782  0.222  1.0
  O  O26  1  0.416  0.648  0.122  1.0
  O  O27  1  0.357  0.623  0.383  1.0
[/CIF]
.