The material structure described by Li3Cr4(PO4)6 crystallizes in the monoclinic C2 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(10), one O(8), two equivalent O(11), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(12), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(2), one O(5), 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(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) 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 43-55°. In the second P site, P(2) is bonded to two equivalent O(4) 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 50-52°. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), 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 41-56°. In the fourth P site, P(4) is bonded to two equivalent O(10) and two equivalent O(12) 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 50-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.565
_cell_length_b   8.565
_cell_length_c   6.320
_cell_angle_alpha   74.995
_cell_angle_beta   74.995
_cell_angle_gamma   92.435
_symmetry_Int_Tables_number   1
_cell_volume   429.591
_cell_formula_units_Z   1
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  0.498  0.501  0.250  1.0
  Li  Li1  1  0.499  0.502  0.750  1.0
  Li  Li2  1  0.018  0.982  0.500  1.0
  Cr  Cr3  1  0.941  0.617  0.894  1.0
  Cr  Cr4  1  0.620  0.941  0.390  1.0
  Cr  Cr5  1  0.383  0.059  0.106  1.0
  Cr  Cr6  1  0.059  0.380  0.610  1.0
  P  P7  1  0.843  0.651  0.399  1.0
  P  P8  1  0.728  0.272  0.000  1.0
  P  P9  1  0.652  0.843  0.893  1.0
  P  P10  1  0.349  0.157  0.601  1.0
  P  P11  1  0.273  0.727  0.500  1.0
  P  P12  1  0.157  0.348  0.107  1.0
  O  O13  1  0.933  0.582  0.589  1.0
  O  O14  1  0.968  0.643  0.173  1.0
  O  O15  1  0.827  0.833  0.385  1.0
  O  O16  1  0.850  0.249  0.786  1.0
  O  O17  1  0.751  0.150  0.214  1.0
  O  O18  1  0.835  0.822  0.861  1.0
  O  O19  1  0.681  0.552  0.449  1.0
  O  O20  1  0.643  0.971  0.671  1.0
  O  O21  1  0.749  0.447  0.028  1.0
  O  O22  1  0.587  0.932  0.085  1.0
  O  O23  1  0.448  0.319  0.551  1.0
  O  O24  1  0.553  0.251  0.972  1.0
  O  O25  1  0.446  0.749  0.529  1.0
  O  O26  1  0.550  0.681  0.950  1.0
  O  O27  1  0.418  0.067  0.411  1.0
  O  O28  1  0.251  0.554  0.471  1.0
  O  O29  1  0.357  0.032  0.827  1.0
  O  O30  1  0.319  0.450  0.050  1.0
  O  O31  1  0.167  0.173  0.615  1.0
  O  O32  1  0.246  0.855  0.291  1.0
  O  O33  1  0.145  0.754  0.709  1.0
  O  O34  1  0.178  0.165  0.139  1.0
  O  O35  1  0.029  0.357  0.329  1.0
  O  O36  1  0.068  0.413  0.915  1.0
[/CIF]
.
The material structure described by Li3Cr4(PO4)6 crystallizes in the monoclinic C2 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(10), one O(8), two equivalent O(11), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(12), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(2), one O(5), 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(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) 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 43-55°. In the second P site, P(2) is bonded to two equivalent O(4) 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 50-52°. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), 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 41-56°. In the fourth P site, P(4) is bonded to two equivalent O(10) and two equivalent O(12) 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 50-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.565
_cell_length_b   8.565
_cell_length_c   6.320
_cell_angle_alpha   74.995
_cell_angle_beta   74.995
_cell_angle_gamma   92.435
_symmetry_Int_Tables_number   1
_cell_volume   429.591
_cell_formula_units_Z   1
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  0.498  0.501  0.250  1.0
  Li  Li1  1  0.499  0.502  0.750  1.0
  Li  Li2  1  0.018  0.982  0.500  1.0
  Cr  Cr3  1  0.941  0.617  0.894  1.0
  Cr  Cr4  1  0.620  0.941  0.390  1.0
  Cr  Cr5  1  0.383  0.059  0.106  1.0
  Cr  Cr6  1  0.059  0.380  0.610  1.0
  P  P7  1  0.843  0.651  0.399  1.0
  P  P8  1  0.728  0.272  0.000  1.0
  P  P9  1  0.652  0.843  0.893  1.0
  P  P10  1  0.349  0.157  0.601  1.0
  P  P11  1  0.273  0.727  0.500  1.0
  P  P12  1  0.157  0.348  0.107  1.0
  O  O13  1  0.933  0.582  0.589  1.0
  O  O14  1  0.968  0.643  0.173  1.0
  O  O15  1  0.827  0.833  0.385  1.0
  O  O16  1  0.850  0.249  0.786  1.0
  O  O17  1  0.751  0.150  0.214  1.0
  O  O18  1  0.835  0.822  0.861  1.0
  O  O19  1  0.681  0.552  0.449  1.0
  O  O20  1  0.643  0.971  0.671  1.0
  O  O21  1  0.749  0.447  0.028  1.0
  O  O22  1  0.587  0.932  0.085  1.0
  O  O23  1  0.448  0.319  0.551  1.0
  O  O24  1  0.553  0.251  0.972  1.0
  O  O25  1  0.446  0.749  0.529  1.0
  O  O26  1  0.550  0.681  0.950  1.0
  O  O27  1  0.418  0.067  0.411  1.0
  O  O28  1  0.251  0.554  0.471  1.0
  O  O29  1  0.357  0.032  0.827  1.0
  O  O30  1  0.319  0.450  0.050  1.0
  O  O31  1  0.167  0.173  0.615  1.0
  O  O32  1  0.246  0.855  0.291  1.0
  O  O33  1  0.145  0.754  0.709  1.0
  O  O34  1  0.178  0.165  0.139  1.0
  O  O35  1  0.029  0.357  0.329  1.0
  O  O36  1  0.068  0.413  0.915  1.0
[/CIF]
.