The material described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. 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(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cr(1) and one P(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cr(1), and one P(2) 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(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(2) atom. In the fifth 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 sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.408
_cell_length_b   8.408
_cell_length_c   8.567
_cell_angle_alpha   61.494
_cell_angle_beta   61.494
_cell_angle_gamma   62.745
_symmetry_Int_Tables_number   1
_cell_volume   446.417
_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  0.158  0.237  0.359  1.0
  Li  Li1  1  0.842  0.763  0.641  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.763  0.842  0.141  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.237  0.158  0.859  1.0
  Cr  Cr6  1  0.858  0.366  0.851  1.0
  Cr  Cr7  1  0.366  0.858  0.351  1.0
  Cr  Cr8  1  0.634  0.142  0.649  1.0
  Cr  Cr9  1  0.142  0.634  0.149  1.0
  P  P10  1  0.043  0.957  0.750  1.0
  P  P11  1  0.255  0.448  0.532  1.0
  P  P12  1  0.745  0.552  0.468  1.0
  P  P13  1  0.957  0.043  0.250  1.0
  P  P14  1  0.448  0.255  0.032  1.0
  P  P15  1  0.552  0.745  0.968  1.0
  O  O16  1  0.319  0.617  0.465  1.0
  O  O17  1  0.557  0.905  0.771  1.0
  O  O18  1  0.874  0.982  0.705  1.0
  O  O19  1  0.982  0.874  0.205  1.0
  O  O20  1  0.018  0.126  0.795  1.0
  O  O21  1  0.126  0.018  0.295  1.0
  O  O22  1  0.443  0.095  0.229  1.0
  O  O23  1  0.250  0.407  0.071  1.0
  O  O24  1  0.452  0.189  0.890  1.0
  O  O25  1  0.617  0.319  0.965  1.0
  O  O26  1  0.053  0.771  0.922  1.0
  O  O27  1  0.548  0.811  0.110  1.0
  O  O28  1  0.407  0.250  0.571  1.0
  O  O29  1  0.189  0.452  0.390  1.0
  O  O30  1  0.095  0.443  0.729  1.0
  O  O31  1  0.771  0.053  0.422  1.0
  O  O32  1  0.229  0.947  0.578  1.0
  O  O33  1  0.681  0.383  0.535  1.0
  O  O34  1  0.811  0.548  0.610  1.0
  O  O35  1  0.593  0.750  0.429  1.0
  O  O36  1  0.905  0.557  0.271  1.0
  O  O37  1  0.947  0.229  0.078  1.0
  O  O38  1  0.383  0.681  0.035  1.0
  O  O39  1  0.750  0.593  0.929  1.0
[/CIF]
.
The material described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. 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(3) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cr(1) and one P(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cr(1), and one P(2) 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(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(2) atom. In the fifth 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 sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.408
_cell_length_b   8.408
_cell_length_c   8.567
_cell_angle_alpha   61.494
_cell_angle_beta   61.494
_cell_angle_gamma   62.745
_symmetry_Int_Tables_number   1
_cell_volume   446.417
_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  0.158  0.237  0.359  1.0
  Li  Li1  1  0.842  0.763  0.641  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.763  0.842  0.141  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  Li  Li5  1  0.237  0.158  0.859  1.0
  Cr  Cr6  1  0.858  0.366  0.851  1.0
  Cr  Cr7  1  0.366  0.858  0.351  1.0
  Cr  Cr8  1  0.634  0.142  0.649  1.0
  Cr  Cr9  1  0.142  0.634  0.149  1.0
  P  P10  1  0.043  0.957  0.750  1.0
  P  P11  1  0.255  0.448  0.532  1.0
  P  P12  1  0.745  0.552  0.468  1.0
  P  P13  1  0.957  0.043  0.250  1.0
  P  P14  1  0.448  0.255  0.032  1.0
  P  P15  1  0.552  0.745  0.968  1.0
  O  O16  1  0.319  0.617  0.465  1.0
  O  O17  1  0.557  0.905  0.771  1.0
  O  O18  1  0.874  0.982  0.705  1.0
  O  O19  1  0.982  0.874  0.205  1.0
  O  O20  1  0.018  0.126  0.795  1.0
  O  O21  1  0.126  0.018  0.295  1.0
  O  O22  1  0.443  0.095  0.229  1.0
  O  O23  1  0.250  0.407  0.071  1.0
  O  O24  1  0.452  0.189  0.890  1.0
  O  O25  1  0.617  0.319  0.965  1.0
  O  O26  1  0.053  0.771  0.922  1.0
  O  O27  1  0.548  0.811  0.110  1.0
  O  O28  1  0.407  0.250  0.571  1.0
  O  O29  1  0.189  0.452  0.390  1.0
  O  O30  1  0.095  0.443  0.729  1.0
  O  O31  1  0.771  0.053  0.422  1.0
  O  O32  1  0.229  0.947  0.578  1.0
  O  O33  1  0.681  0.383  0.535  1.0
  O  O34  1  0.811  0.548  0.610  1.0
  O  O35  1  0.593  0.750  0.429  1.0
  O  O36  1  0.905  0.557  0.271  1.0
  O  O37  1  0.947  0.229  0.078  1.0
  O  O38  1  0.383  0.681  0.035  1.0
  O  O39  1  0.750  0.593  0.929  1.0
[/CIF]
.