The material described by Li2Cr2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. Cr(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 CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-39°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.624
_cell_length_b   8.624
_cell_length_c   8.694
_cell_angle_alpha   59.816
_cell_angle_beta   59.816
_cell_angle_gamma   60.406
_symmetry_Int_Tables_number   1
_cell_volume   457.280
_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  0.676  0.825  0.447  1.0
  Li  Li1  1  0.175  0.324  0.053  1.0
  Li  Li2  1  0.825  0.676  0.947  1.0
  Li  Li3  1  0.324  0.175  0.553  1.0
  Cr  Cr4  1  0.861  0.361  0.421  1.0
  Cr  Cr5  1  0.639  0.139  0.079  1.0
  Cr  Cr6  1  0.361  0.861  0.921  1.0
  Cr  Cr7  1  0.139  0.639  0.579  1.0
  P  P8  1  0.966  0.034  0.250  1.0
  P  P9  1  0.034  0.966  0.750  1.0
  P  P10  1  0.539  0.747  0.248  1.0
  P  P11  1  0.253  0.461  0.252  1.0
  P  P12  1  0.747  0.539  0.748  1.0
  P  P13  1  0.461  0.253  0.752  1.0
  O  O14  1  0.866  0.992  0.930  1.0
  O  O15  1  0.700  0.372  0.922  1.0
  O  O16  1  0.951  0.222  0.247  1.0
  O  O17  1  0.472  0.204  0.944  1.0
  O  O18  1  0.992  0.866  0.430  1.0
  O  O19  1  0.778  0.049  0.253  1.0
  O  O20  1  0.730  0.582  0.244  1.0
  O  O21  1  0.562  0.909  0.259  1.0
  O  O22  1  0.418  0.270  0.256  1.0
  O  O23  1  0.796  0.528  0.556  1.0
  O  O24  1  0.909  0.562  0.759  1.0
  O  O25  1  0.628  0.300  0.578  1.0
  O  O26  1  0.372  0.700  0.422  1.0
  O  O27  1  0.091  0.438  0.241  1.0
  O  O28  1  0.204  0.472  0.444  1.0
  O  O29  1  0.582  0.730  0.744  1.0
  O  O30  1  0.438  0.091  0.741  1.0
  O  O31  1  0.270  0.418  0.756  1.0
  O  O32  1  0.222  0.951  0.747  1.0
  O  O33  1  0.008  0.134  0.570  1.0
  O  O34  1  0.528  0.796  0.056  1.0
  O  O35  1  0.049  0.778  0.753  1.0
  O  O36  1  0.300  0.628  0.078  1.0
  O  O37  1  0.134  0.008  0.070  1.0
[/CIF]
.
The material described by Li2Cr2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. Cr(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 CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-39°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.624
_cell_length_b   8.624
_cell_length_c   8.694
_cell_angle_alpha   59.816
_cell_angle_beta   59.816
_cell_angle_gamma   60.406
_symmetry_Int_Tables_number   1
_cell_volume   457.280
_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  0.676  0.825  0.447  1.0
  Li  Li1  1  0.175  0.324  0.053  1.0
  Li  Li2  1  0.825  0.676  0.947  1.0
  Li  Li3  1  0.324  0.175  0.553  1.0
  Cr  Cr4  1  0.861  0.361  0.421  1.0
  Cr  Cr5  1  0.639  0.139  0.079  1.0
  Cr  Cr6  1  0.361  0.861  0.921  1.0
  Cr  Cr7  1  0.139  0.639  0.579  1.0
  P  P8  1  0.966  0.034  0.250  1.0
  P  P9  1  0.034  0.966  0.750  1.0
  P  P10  1  0.539  0.747  0.248  1.0
  P  P11  1  0.253  0.461  0.252  1.0
  P  P12  1  0.747  0.539  0.748  1.0
  P  P13  1  0.461  0.253  0.752  1.0
  O  O14  1  0.866  0.992  0.930  1.0
  O  O15  1  0.700  0.372  0.922  1.0
  O  O16  1  0.951  0.222  0.247  1.0
  O  O17  1  0.472  0.204  0.944  1.0
  O  O18  1  0.992  0.866  0.430  1.0
  O  O19  1  0.778  0.049  0.253  1.0
  O  O20  1  0.730  0.582  0.244  1.0
  O  O21  1  0.562  0.909  0.259  1.0
  O  O22  1  0.418  0.270  0.256  1.0
  O  O23  1  0.796  0.528  0.556  1.0
  O  O24  1  0.909  0.562  0.759  1.0
  O  O25  1  0.628  0.300  0.578  1.0
  O  O26  1  0.372  0.700  0.422  1.0
  O  O27  1  0.091  0.438  0.241  1.0
  O  O28  1  0.204  0.472  0.444  1.0
  O  O29  1  0.582  0.730  0.744  1.0
  O  O30  1  0.438  0.091  0.741  1.0
  O  O31  1  0.270  0.418  0.756  1.0
  O  O32  1  0.222  0.951  0.747  1.0
  O  O33  1  0.008  0.134  0.570  1.0
  O  O34  1  0.528  0.796  0.056  1.0
  O  O35  1  0.049  0.778  0.753  1.0
  O  O36  1  0.300  0.628  0.078  1.0
  O  O37  1  0.134  0.008  0.070  1.0
[/CIF]
.