The material described by LiCr(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 78°. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(9), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-61°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-57°. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   7.353
_cell_length_c   6.932
_cell_angle_alpha   98.396
_cell_angle_beta   93.173
_cell_angle_gamma   88.174
_symmetry_Int_Tables_number   1
_cell_volume   331.097
_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  0.141  0.172  0.448  1.0
  Li  Li1  1  0.859  0.828  0.552  1.0
  Cr  Cr2  1  0.164  0.141  0.921  1.0
  Cr  Cr3  1  0.836  0.859  0.079  1.0
  P  P4  1  0.144  0.548  0.772  1.0
  P  P5  1  0.328  0.774  0.116  1.0
  P  P6  1  0.356  0.796  0.555  1.0
  P  P7  1  0.644  0.204  0.445  1.0
  P  P8  1  0.672  0.226  0.884  1.0
  P  P9  1  0.856  0.452  0.228  1.0
  O  O10  1  0.046  0.335  0.237  1.0
  O  O11  1  0.130  0.340  0.730  1.0
  O  O12  1  0.157  0.919  0.094  1.0
  O  O13  1  0.182  0.931  0.603  1.0
  O  O14  1  0.254  0.584  0.990  1.0
  O  O15  1  0.313  0.604  0.636  1.0
  O  O16  1  0.330  0.712  0.324  1.0
  O  O17  1  0.430  0.155  0.391  1.0
  O  O18  1  0.470  0.180  0.944  1.0
  O  O19  1  0.530  0.820  0.056  1.0
  O  O20  1  0.570  0.845  0.609  1.0
  O  O21  1  0.670  0.288  0.676  1.0
  O  O22  1  0.687  0.396  0.364  1.0
  O  O23  1  0.746  0.416  0.010  1.0
  O  O24  1  0.818  0.069  0.397  1.0
  O  O25  1  0.843  0.081  0.906  1.0
  O  O26  1  0.870  0.660  0.270  1.0
  O  O27  1  0.954  0.665  0.763  1.0
[/CIF]
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The material described by LiCr(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 78°. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(9), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-61°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-57°. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   7.353
_cell_length_c   6.932
_cell_angle_alpha   98.396
_cell_angle_beta   93.173
_cell_angle_gamma   88.174
_symmetry_Int_Tables_number   1
_cell_volume   331.097
_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  0.141  0.172  0.448  1.0
  Li  Li1  1  0.859  0.828  0.552  1.0
  Cr  Cr2  1  0.164  0.141  0.921  1.0
  Cr  Cr3  1  0.836  0.859  0.079  1.0
  P  P4  1  0.144  0.548  0.772  1.0
  P  P5  1  0.328  0.774  0.116  1.0
  P  P6  1  0.356  0.796  0.555  1.0
  P  P7  1  0.644  0.204  0.445  1.0
  P  P8  1  0.672  0.226  0.884  1.0
  P  P9  1  0.856  0.452  0.228  1.0
  O  O10  1  0.046  0.335  0.237  1.0
  O  O11  1  0.130  0.340  0.730  1.0
  O  O12  1  0.157  0.919  0.094  1.0
  O  O13  1  0.182  0.931  0.603  1.0
  O  O14  1  0.254  0.584  0.990  1.0
  O  O15  1  0.313  0.604  0.636  1.0
  O  O16  1  0.330  0.712  0.324  1.0
  O  O17  1  0.430  0.155  0.391  1.0
  O  O18  1  0.470  0.180  0.944  1.0
  O  O19  1  0.530  0.820  0.056  1.0
  O  O20  1  0.570  0.845  0.609  1.0
  O  O21  1  0.670  0.288  0.676  1.0
  O  O22  1  0.687  0.396  0.364  1.0
  O  O23  1  0.746  0.416  0.010  1.0
  O  O24  1  0.818  0.069  0.397  1.0
  O  O25  1  0.843  0.081  0.906  1.0
  O  O26  1  0.870  0.660  0.270  1.0
  O  O27  1  0.954  0.665  0.763  1.0
[/CIF]
.