The material structure described by LiCr2(PO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(8) 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), 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(10), one O(12), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the third P site, P(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(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(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. is represented by the CIF card [CIF]
data_LiCr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.354
_cell_length_b   8.397
_cell_length_c   8.757
_cell_angle_alpha   118.340
_cell_angle_beta   90.375
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   443.311
_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  0.227  0.758  0.579  1.0
  Li  Li1  1  0.773  0.242  0.421  1.0
  Cr  Cr2  1  0.866  0.214  0.072  1.0
  Cr  Cr3  1  0.357  0.211  0.565  1.0
  Cr  Cr4  1  0.643  0.789  0.435  1.0
  Cr  Cr5  1  0.134  0.786  0.928  1.0
  P  P6  1  0.037  0.010  0.754  1.0
  P  P7  1  0.467  0.719  0.747  1.0
  P  P8  1  0.533  0.281  0.253  1.0
  P  P9  1  0.963  0.990  0.246  1.0
  P  P10  1  0.248  0.715  0.252  1.0
  P  P11  1  0.752  0.285  0.748  1.0
  O  O12  1  0.450  0.752  0.276  1.0
  O  O13  1  0.811  0.298  0.919  1.0
  O  O14  1  0.522  0.474  0.301  1.0
  O  O15  1  0.897  0.133  0.248  1.0
  O  O16  1  0.103  0.867  0.752  1.0
  O  O17  1  0.249  0.891  0.431  1.0
  O  O18  1  0.189  0.702  0.081  1.0
  O  O19  1  0.098  0.501  0.245  1.0
  O  O20  1  0.269  0.679  0.769  1.0
  O  O21  1  0.026  0.140  0.945  1.0
  O  O22  1  0.751  0.109  0.569  1.0
  O  O23  1  0.475  0.763  0.591  1.0
  O  O24  1  0.180  0.172  0.707  1.0
  O  O25  1  0.731  0.321  0.231  1.0
  O  O26  1  0.635  0.923  0.928  1.0
  O  O27  1  0.478  0.526  0.699  1.0
  O  O28  1  0.902  0.499  0.755  1.0
  O  O29  1  0.365  0.077  0.072  1.0
  O  O30  1  0.828  0.845  0.613  1.0
  O  O31  1  0.820  0.828  0.293  1.0
  O  O32  1  0.525  0.237  0.409  1.0
  O  O33  1  0.550  0.248  0.724  1.0
  O  O34  1  0.974  0.860  0.055  1.0
  O  O35  1  0.172  0.155  0.387  1.0
[/CIF]
.
The material structure described by LiCr2(PO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(8) 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), 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(10), one O(12), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the third P site, P(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(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(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. is represented by the CIF card [CIF]
data_LiCr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.354
_cell_length_b   8.397
_cell_length_c   8.757
_cell_angle_alpha   118.340
_cell_angle_beta   90.375
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   443.311
_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  0.227  0.758  0.579  1.0
  Li  Li1  1  0.773  0.242  0.421  1.0
  Cr  Cr2  1  0.866  0.214  0.072  1.0
  Cr  Cr3  1  0.357  0.211  0.565  1.0
  Cr  Cr4  1  0.643  0.789  0.435  1.0
  Cr  Cr5  1  0.134  0.786  0.928  1.0
  P  P6  1  0.037  0.010  0.754  1.0
  P  P7  1  0.467  0.719  0.747  1.0
  P  P8  1  0.533  0.281  0.253  1.0
  P  P9  1  0.963  0.990  0.246  1.0
  P  P10  1  0.248  0.715  0.252  1.0
  P  P11  1  0.752  0.285  0.748  1.0
  O  O12  1  0.450  0.752  0.276  1.0
  O  O13  1  0.811  0.298  0.919  1.0
  O  O14  1  0.522  0.474  0.301  1.0
  O  O15  1  0.897  0.133  0.248  1.0
  O  O16  1  0.103  0.867  0.752  1.0
  O  O17  1  0.249  0.891  0.431  1.0
  O  O18  1  0.189  0.702  0.081  1.0
  O  O19  1  0.098  0.501  0.245  1.0
  O  O20  1  0.269  0.679  0.769  1.0
  O  O21  1  0.026  0.140  0.945  1.0
  O  O22  1  0.751  0.109  0.569  1.0
  O  O23  1  0.475  0.763  0.591  1.0
  O  O24  1  0.180  0.172  0.707  1.0
  O  O25  1  0.731  0.321  0.231  1.0
  O  O26  1  0.635  0.923  0.928  1.0
  O  O27  1  0.478  0.526  0.699  1.0
  O  O28  1  0.902  0.499  0.755  1.0
  O  O29  1  0.365  0.077  0.072  1.0
  O  O30  1  0.828  0.845  0.613  1.0
  O  O31  1  0.820  0.828  0.293  1.0
  O  O32  1  0.525  0.237  0.409  1.0
  O  O33  1  0.550  0.248  0.724  1.0
  O  O34  1  0.974  0.860  0.055  1.0
  O  O35  1  0.172  0.155  0.387  1.0
[/CIF]
.