The crystal structure described by Li3Cr2(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one O(11), one O(2), one O(3), one O(4), 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(10), one O(11), one O(12), one O(4), one O(7), 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), 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. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), 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 27-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 27-47°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(2), 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 24-48°. 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 4-coordinate geometry to one Li(1), one Li(3), one Cr(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), 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(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.685
_cell_angle_alpha   60.120
_cell_angle_beta   60.120
_cell_angle_gamma   59.561
_symmetry_Int_Tables_number   1
_cell_volume   464.689
_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  0.258  0.112  0.828  1.0
  Li  Li1  1  0.964  0.649  0.563  1.0
  Li  Li2  1  0.112  0.258  0.328  1.0
  Li  Li3  1  0.635  0.383  0.731  1.0
  Li  Li4  1  0.383  0.635  0.231  1.0
  Li  Li5  1  0.649  0.964  0.063  1.0
  Cr  Cr6  1  0.847  0.353  0.939  1.0
  Cr  Cr7  1  0.353  0.847  0.439  1.0
  Cr  Cr8  1  0.147  0.646  0.069  1.0
  Cr  Cr9  1  0.646  0.147  0.569  1.0
  P  P10  1  0.956  0.047  0.751  1.0
  P  P11  1  0.047  0.956  0.251  1.0
  P  P12  1  0.527  0.750  0.761  1.0
  P  P13  1  0.471  0.247  0.241  1.0
  P  P14  1  0.750  0.527  0.261  1.0
  P  P15  1  0.247  0.471  0.741  1.0
  O  O16  1  0.517  0.248  0.388  1.0
  O  O17  1  0.278  0.407  0.239  1.0
  O  O18  1  0.071  0.758  0.266  1.0
  O  O19  1  0.724  0.596  0.760  1.0
  O  O20  1  0.946  0.527  0.212  1.0
  O  O21  1  0.376  0.717  0.960  1.0
  O  O22  1  0.596  0.724  0.260  1.0
  O  O23  1  0.735  0.481  0.122  1.0
  O  O24  1  0.248  0.517  0.888  1.0
  O  O25  1  0.884  0.988  0.431  1.0
  O  O26  1  0.274  0.626  0.544  1.0
  O  O27  1  0.065  0.448  0.781  1.0
  O  O28  1  0.527  0.946  0.712  1.0
  O  O29  1  0.407  0.278  0.739  1.0
  O  O30  1  0.988  0.884  0.931  1.0
  O  O31  1  0.942  0.235  0.744  1.0
  O  O32  1  0.235  0.942  0.244  1.0
  O  O33  1  0.019  0.112  0.066  1.0
  O  O34  1  0.481  0.735  0.622  1.0
  O  O35  1  0.717  0.376  0.460  1.0
  O  O36  1  0.626  0.274  0.044  1.0
  O  O37  1  0.112  0.019  0.566  1.0
  O  O38  1  0.448  0.065  0.281  1.0
  O  O39  1  0.758  0.071  0.766  1.0
[/CIF]
.
The crystal structure described by Li3Cr2(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one O(11), one O(2), one O(3), one O(4), 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(10), one O(11), one O(12), one O(4), one O(7), 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. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), 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. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(3), 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 27-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 27-47°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(2), 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 24-48°. 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 4-coordinate geometry to one Li(1), one Li(3), one Cr(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), 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(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.685
_cell_angle_alpha   60.120
_cell_angle_beta   60.120
_cell_angle_gamma   59.561
_symmetry_Int_Tables_number   1
_cell_volume   464.689
_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  0.258  0.112  0.828  1.0
  Li  Li1  1  0.964  0.649  0.563  1.0
  Li  Li2  1  0.112  0.258  0.328  1.0
  Li  Li3  1  0.635  0.383  0.731  1.0
  Li  Li4  1  0.383  0.635  0.231  1.0
  Li  Li5  1  0.649  0.964  0.063  1.0
  Cr  Cr6  1  0.847  0.353  0.939  1.0
  Cr  Cr7  1  0.353  0.847  0.439  1.0
  Cr  Cr8  1  0.147  0.646  0.069  1.0
  Cr  Cr9  1  0.646  0.147  0.569  1.0
  P  P10  1  0.956  0.047  0.751  1.0
  P  P11  1  0.047  0.956  0.251  1.0
  P  P12  1  0.527  0.750  0.761  1.0
  P  P13  1  0.471  0.247  0.241  1.0
  P  P14  1  0.750  0.527  0.261  1.0
  P  P15  1  0.247  0.471  0.741  1.0
  O  O16  1  0.517  0.248  0.388  1.0
  O  O17  1  0.278  0.407  0.239  1.0
  O  O18  1  0.071  0.758  0.266  1.0
  O  O19  1  0.724  0.596  0.760  1.0
  O  O20  1  0.946  0.527  0.212  1.0
  O  O21  1  0.376  0.717  0.960  1.0
  O  O22  1  0.596  0.724  0.260  1.0
  O  O23  1  0.735  0.481  0.122  1.0
  O  O24  1  0.248  0.517  0.888  1.0
  O  O25  1  0.884  0.988  0.431  1.0
  O  O26  1  0.274  0.626  0.544  1.0
  O  O27  1  0.065  0.448  0.781  1.0
  O  O28  1  0.527  0.946  0.712  1.0
  O  O29  1  0.407  0.278  0.739  1.0
  O  O30  1  0.988  0.884  0.931  1.0
  O  O31  1  0.942  0.235  0.744  1.0
  O  O32  1  0.235  0.942  0.244  1.0
  O  O33  1  0.019  0.112  0.066  1.0
  O  O34  1  0.481  0.735  0.622  1.0
  O  O35  1  0.717  0.376  0.460  1.0
  O  O36  1  0.626  0.274  0.044  1.0
  O  O37  1  0.112  0.019  0.566  1.0
  O  O38  1  0.448  0.065  0.281  1.0
  O  O39  1  0.758  0.071  0.766  1.0
[/CIF]
.