The compound described by LiCr2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), 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 42-57°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fourth 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 fifth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiCr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.568
_cell_length_b   8.568
_cell_length_c   6.259
_cell_angle_alpha   74.176
_cell_angle_beta   74.176
_cell_angle_gamma   91.953
_symmetry_Int_Tables_number   1
_cell_volume   422.397
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.940  0.622  0.137  1.0
  Cr  Cr3  1  0.622  0.940  0.637  1.0
  Cr  Cr4  1  0.378  0.060  0.363  1.0
  Cr  Cr5  1  0.060  0.378  0.863  1.0
  P  P6  1  0.277  0.723  0.750  1.0
  P  P7  1  0.354  0.162  0.855  1.0
  P  P8  1  0.646  0.838  0.145  1.0
  P  P9  1  0.723  0.277  0.250  1.0
  P  P10  1  0.162  0.354  0.355  1.0
  P  P11  1  0.838  0.646  0.645  1.0
  O  O12  1  0.963  0.640  0.413  1.0
  O  O13  1  0.807  0.828  0.613  1.0
  O  O14  1  0.547  0.251  0.229  1.0
  O  O15  1  0.939  0.592  0.828  1.0
  O  O16  1  0.061  0.408  0.172  1.0
  O  O17  1  0.037  0.360  0.587  1.0
  O  O18  1  0.193  0.172  0.387  1.0
  O  O19  1  0.148  0.739  0.969  1.0
  O  O20  1  0.261  0.852  0.531  1.0
  O  O21  1  0.172  0.193  0.887  1.0
  O  O22  1  0.318  0.463  0.284  1.0
  O  O23  1  0.360  0.037  0.087  1.0
  O  O24  1  0.251  0.547  0.729  1.0
  O  O25  1  0.739  0.148  0.469  1.0
  O  O26  1  0.537  0.682  0.216  1.0
  O  O27  1  0.453  0.749  0.771  1.0
  O  O28  1  0.408  0.061  0.672  1.0
  O  O29  1  0.463  0.318  0.784  1.0
  O  O30  1  0.592  0.939  0.328  1.0
  O  O31  1  0.749  0.453  0.271  1.0
  O  O32  1  0.640  0.963  0.913  1.0
  O  O33  1  0.682  0.537  0.716  1.0
  O  O34  1  0.828  0.807  0.113  1.0
  O  O35  1  0.852  0.261  0.031  1.0
[/CIF]
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The compound described by LiCr2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), 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 42-57°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fourth 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 fifth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiCr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.568
_cell_length_b   8.568
_cell_length_c   6.259
_cell_angle_alpha   74.176
_cell_angle_beta   74.176
_cell_angle_gamma   91.953
_symmetry_Int_Tables_number   1
_cell_volume   422.397
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.940  0.622  0.137  1.0
  Cr  Cr3  1  0.622  0.940  0.637  1.0
  Cr  Cr4  1  0.378  0.060  0.363  1.0
  Cr  Cr5  1  0.060  0.378  0.863  1.0
  P  P6  1  0.277  0.723  0.750  1.0
  P  P7  1  0.354  0.162  0.855  1.0
  P  P8  1  0.646  0.838  0.145  1.0
  P  P9  1  0.723  0.277  0.250  1.0
  P  P10  1  0.162  0.354  0.355  1.0
  P  P11  1  0.838  0.646  0.645  1.0
  O  O12  1  0.963  0.640  0.413  1.0
  O  O13  1  0.807  0.828  0.613  1.0
  O  O14  1  0.547  0.251  0.229  1.0
  O  O15  1  0.939  0.592  0.828  1.0
  O  O16  1  0.061  0.408  0.172  1.0
  O  O17  1  0.037  0.360  0.587  1.0
  O  O18  1  0.193  0.172  0.387  1.0
  O  O19  1  0.148  0.739  0.969  1.0
  O  O20  1  0.261  0.852  0.531  1.0
  O  O21  1  0.172  0.193  0.887  1.0
  O  O22  1  0.318  0.463  0.284  1.0
  O  O23  1  0.360  0.037  0.087  1.0
  O  O24  1  0.251  0.547  0.729  1.0
  O  O25  1  0.739  0.148  0.469  1.0
  O  O26  1  0.537  0.682  0.216  1.0
  O  O27  1  0.453  0.749  0.771  1.0
  O  O28  1  0.408  0.061  0.672  1.0
  O  O29  1  0.463  0.318  0.784  1.0
  O  O30  1  0.592  0.939  0.328  1.0
  O  O31  1  0.749  0.453  0.271  1.0
  O  O32  1  0.640  0.963  0.913  1.0
  O  O33  1  0.682  0.537  0.716  1.0
  O  O34  1  0.828  0.807  0.113  1.0
  O  O35  1  0.852  0.261  0.031  1.0
[/CIF]
.