The compound described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), 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 30-43°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms 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 31-44°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms 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 28-42°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) 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 22-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) 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 distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) 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(1) atom. In the seventh O site, O(7) 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 eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(2), and one P(3) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Cr(2), and one P(4) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Li(4), one Cr(2), and one P(4) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. is represented by the CIF card [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.588
_cell_length_b   8.588
_cell_length_c   8.553
_cell_angle_alpha   61.280
_cell_angle_beta   61.280
_cell_angle_gamma   61.322
_symmetry_Int_Tables_number   1
_cell_volume   459.078
_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  0.995  0.503  0.722  1.0
  Li  Li1  1  0.849  0.151  0.000  1.0
  Li  Li2  1  0.497  0.005  0.278  1.0
  Li  Li3  1  0.154  0.846  0.500  1.0
  Li  Li4  1  0.749  0.657  0.096  1.0
  Li  Li5  1  0.343  0.251  0.904  1.0
  Cr  Cr6  1  0.855  0.361  0.608  1.0
  Cr  Cr7  1  0.639  0.145  0.392  1.0
  Cr  Cr8  1  0.354  0.855  0.105  1.0
  Cr  Cr9  1  0.145  0.646  0.895  1.0
  P  P10  1  0.249  0.048  0.702  1.0
  P  P11  1  0.952  0.751  0.298  1.0
  P  P12  1  0.544  0.456  0.000  1.0
  P  P13  1  0.460  0.540  0.500  1.0
  P  P14  1  0.037  0.250  0.208  1.0
  P  P15  1  0.750  0.963  0.792  1.0
  O  O16  1  0.713  0.999  0.620  1.0
  O  O17  1  0.486  0.377  0.456  1.0
  O  O18  1  0.076  0.231  0.704  1.0
  O  O19  1  0.877  0.207  0.220  1.0
  O  O20  1  0.408  0.070  0.512  1.0
  O  O21  1  0.196  0.886  0.732  1.0
  O  O22  1  0.930  0.592  0.488  1.0
  O  O23  1  0.769  0.924  0.296  1.0
  O  O24  1  0.568  0.261  0.158  1.0
  O  O25  1  0.623  0.514  0.544  1.0
  O  O26  1  0.266  0.566  0.663  1.0
  O  O27  1  0.001  0.287  0.380  1.0
  O  O28  1  0.984  0.694  0.136  1.0
  O  O29  1  0.739  0.432  0.842  1.0
  O  O30  1  0.385  0.484  0.944  1.0
  O  O31  1  0.434  0.734  0.337  1.0
  O  O32  1  0.231  0.087  0.185  1.0
  O  O33  1  0.066  0.414  0.017  1.0
  O  O34  1  0.793  0.123  0.780  1.0
  O  O35  1  0.586  0.934  0.983  1.0
  O  O36  1  0.114  0.804  0.268  1.0
  O  O37  1  0.913  0.769  0.815  1.0
  O  O38  1  0.516  0.615  0.056  1.0
  O  O39  1  0.306  0.016  0.864  1.0
[/CIF]
.
The compound described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), 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 30-43°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms 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 31-44°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms 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 28-42°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) 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 22-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) 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 distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) 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(1) atom. In the seventh O site, O(7) 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 eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(2), and one P(3) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Cr(2), and one P(4) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Li(4), one Cr(2), and one P(4) atom to form a mixture of distorted face, corner, and edge-sharing OLi3CrP trigonal bipyramids. is represented by the CIF card [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.588
_cell_length_b   8.588
_cell_length_c   8.553
_cell_angle_alpha   61.280
_cell_angle_beta   61.280
_cell_angle_gamma   61.322
_symmetry_Int_Tables_number   1
_cell_volume   459.078
_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  0.995  0.503  0.722  1.0
  Li  Li1  1  0.849  0.151  0.000  1.0
  Li  Li2  1  0.497  0.005  0.278  1.0
  Li  Li3  1  0.154  0.846  0.500  1.0
  Li  Li4  1  0.749  0.657  0.096  1.0
  Li  Li5  1  0.343  0.251  0.904  1.0
  Cr  Cr6  1  0.855  0.361  0.608  1.0
  Cr  Cr7  1  0.639  0.145  0.392  1.0
  Cr  Cr8  1  0.354  0.855  0.105  1.0
  Cr  Cr9  1  0.145  0.646  0.895  1.0
  P  P10  1  0.249  0.048  0.702  1.0
  P  P11  1  0.952  0.751  0.298  1.0
  P  P12  1  0.544  0.456  0.000  1.0
  P  P13  1  0.460  0.540  0.500  1.0
  P  P14  1  0.037  0.250  0.208  1.0
  P  P15  1  0.750  0.963  0.792  1.0
  O  O16  1  0.713  0.999  0.620  1.0
  O  O17  1  0.486  0.377  0.456  1.0
  O  O18  1  0.076  0.231  0.704  1.0
  O  O19  1  0.877  0.207  0.220  1.0
  O  O20  1  0.408  0.070  0.512  1.0
  O  O21  1  0.196  0.886  0.732  1.0
  O  O22  1  0.930  0.592  0.488  1.0
  O  O23  1  0.769  0.924  0.296  1.0
  O  O24  1  0.568  0.261  0.158  1.0
  O  O25  1  0.623  0.514  0.544  1.0
  O  O26  1  0.266  0.566  0.663  1.0
  O  O27  1  0.001  0.287  0.380  1.0
  O  O28  1  0.984  0.694  0.136  1.0
  O  O29  1  0.739  0.432  0.842  1.0
  O  O30  1  0.385  0.484  0.944  1.0
  O  O31  1  0.434  0.734  0.337  1.0
  O  O32  1  0.231  0.087  0.185  1.0
  O  O33  1  0.066  0.414  0.017  1.0
  O  O34  1  0.793  0.123  0.780  1.0
  O  O35  1  0.586  0.934  0.983  1.0
  O  O36  1  0.114  0.804  0.268  1.0
  O  O37  1  0.913  0.769  0.815  1.0
  O  O38  1  0.516  0.615  0.056  1.0
  O  O39  1  0.306  0.016  0.864  1.0
[/CIF]
.