The material described by Li3Cr(PO3)8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-60°. In the third P site, P(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-66°. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(PO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.287
_cell_length_b   7.287
_cell_length_c   10.025
_cell_angle_alpha   66.761
_cell_angle_beta   66.761
_cell_angle_gamma   70.123
_symmetry_Int_Tables_number   1
_cell_volume   438.569
_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  0.052  0.948  0.500  1.0
  Li  Li1  1  0.486  0.996  0.257  1.0
  Li  Li2  1  0.004  0.514  0.743  1.0
  Cr  Cr3  1  0.948  0.052  0.000  1.0
  P  P4  1  0.264  0.742  0.779  1.0
  P  P5  1  0.686  0.700  0.560  1.0
  P  P6  1  0.258  0.736  0.221  1.0
  P  P7  1  0.304  0.292  0.954  1.0
  P  P8  1  0.300  0.314  0.440  1.0
  P  P9  1  0.753  0.275  0.269  1.0
  P  P10  1  0.725  0.247  0.731  1.0
  P  P11  1  0.708  0.696  0.046  1.0
  O  O12  1  0.117  0.263  0.938  1.0
  O  O13  1  0.920  0.165  0.340  1.0
  O  O14  1  0.540  0.302  0.401  1.0
  O  O15  1  0.157  0.915  0.847  1.0
  O  O16  1  0.085  0.843  0.153  1.0
  O  O17  1  0.733  0.187  0.161  1.0
  O  O18  1  0.233  0.502  0.303  1.0
  O  O19  1  0.467  0.715  0.082  1.0
  O  O20  1  0.813  0.267  0.839  1.0
  O  O21  1  0.815  0.647  0.901  1.0
  O  O22  1  0.490  0.231  0.814  1.0
  O  O23  1  0.287  0.812  0.328  1.0
  O  O24  1  0.188  0.713  0.672  1.0
  O  O25  1  0.353  0.185  0.099  1.0
  O  O26  1  0.835  0.080  0.660  1.0
  O  O27  1  0.276  0.123  0.431  1.0
  O  O28  1  0.877  0.724  0.569  1.0
  O  O29  1  0.645  0.807  0.409  1.0
  O  O30  1  0.737  0.883  0.062  1.0
  O  O31  1  0.193  0.355  0.591  1.0
  O  O32  1  0.769  0.510  0.186  1.0
  O  O33  1  0.698  0.460  0.599  1.0
  O  O34  1  0.498  0.767  0.697  1.0
  O  O35  1  0.285  0.533  0.918  1.0
[/CIF]
.
The material described by Li3Cr(PO3)8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-60°. In the third P site, P(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-66°. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(PO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.287
_cell_length_b   7.287
_cell_length_c   10.025
_cell_angle_alpha   66.761
_cell_angle_beta   66.761
_cell_angle_gamma   70.123
_symmetry_Int_Tables_number   1
_cell_volume   438.569
_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  0.052  0.948  0.500  1.0
  Li  Li1  1  0.486  0.996  0.257  1.0
  Li  Li2  1  0.004  0.514  0.743  1.0
  Cr  Cr3  1  0.948  0.052  0.000  1.0
  P  P4  1  0.264  0.742  0.779  1.0
  P  P5  1  0.686  0.700  0.560  1.0
  P  P6  1  0.258  0.736  0.221  1.0
  P  P7  1  0.304  0.292  0.954  1.0
  P  P8  1  0.300  0.314  0.440  1.0
  P  P9  1  0.753  0.275  0.269  1.0
  P  P10  1  0.725  0.247  0.731  1.0
  P  P11  1  0.708  0.696  0.046  1.0
  O  O12  1  0.117  0.263  0.938  1.0
  O  O13  1  0.920  0.165  0.340  1.0
  O  O14  1  0.540  0.302  0.401  1.0
  O  O15  1  0.157  0.915  0.847  1.0
  O  O16  1  0.085  0.843  0.153  1.0
  O  O17  1  0.733  0.187  0.161  1.0
  O  O18  1  0.233  0.502  0.303  1.0
  O  O19  1  0.467  0.715  0.082  1.0
  O  O20  1  0.813  0.267  0.839  1.0
  O  O21  1  0.815  0.647  0.901  1.0
  O  O22  1  0.490  0.231  0.814  1.0
  O  O23  1  0.287  0.812  0.328  1.0
  O  O24  1  0.188  0.713  0.672  1.0
  O  O25  1  0.353  0.185  0.099  1.0
  O  O26  1  0.835  0.080  0.660  1.0
  O  O27  1  0.276  0.123  0.431  1.0
  O  O28  1  0.877  0.724  0.569  1.0
  O  O29  1  0.645  0.807  0.409  1.0
  O  O30  1  0.737  0.883  0.062  1.0
  O  O31  1  0.193  0.355  0.591  1.0
  O  O32  1  0.769  0.510  0.186  1.0
  O  O33  1  0.698  0.460  0.599  1.0
  O  O34  1  0.498  0.767  0.697  1.0
  O  O35  1  0.285  0.533  0.918  1.0
[/CIF]
.