The compound described by LiCr2(PO5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(20), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(18), one O(19), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-41°. In the second Cr site, Cr(2) is bonded to one O(11), one O(19), one O(3), one O(4), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-41°. In the third Cr site, Cr(3) is bonded to one O(10), one O(13), one O(16), one O(17), one O(18), and one O(2) atom to form CrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-40°. In the fourth Cr site, Cr(4) is bonded to one O(13), one O(18), one O(20), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 28-40°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-54°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(1) 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 Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(4), 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(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Cr(3) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(3), and one Cr(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.974
_cell_length_c   8.039
_cell_angle_alpha   89.962
_cell_angle_beta   90.673
_cell_angle_gamma   116.058
_symmetry_Int_Tables_number   1
_cell_volume   339.053
_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  0.222  0.280  0.072  1.0
  Li  Li1  1  0.690  0.184  0.569  1.0
  Cr  Cr2  1  0.243  0.003  0.755  1.0
  Cr  Cr3  1  0.247  0.502  0.740  1.0
  Cr  Cr4  1  0.760  0.503  0.249  1.0
  Cr  Cr5  1  0.752  0.001  0.243  1.0
  P  P6  1  0.240  0.756  0.084  1.0
  P  P7  1  0.263  0.243  0.415  1.0
  P  P8  1  0.740  0.755  0.583  1.0
  P  P9  1  0.760  0.247  0.914  1.0
  O  O10  1  0.146  0.881  0.977  1.0
  O  O11  1  0.072  0.634  0.223  1.0
  O  O12  1  0.235  0.741  0.696  1.0
  O  O13  1  0.281  0.585  0.986  1.0
  O  O14  1  0.192  0.389  0.518  1.0
  O  O15  1  0.066  0.090  0.308  1.0
  O  O16  1  0.452  0.917  0.172  1.0
  O  O17  1  0.260  0.258  0.827  1.0
  O  O18  1  0.657  0.891  0.476  1.0
  O  O19  1  0.435  0.372  0.281  1.0
  O  O20  1  0.563  0.624  0.712  1.0
  O  O21  1  0.359  0.127  0.532  1.0
  O  O22  1  0.739  0.752  0.194  1.0
  O  O23  1  0.554  0.086  0.818  1.0
  O  O24  1  0.943  0.912  0.683  1.0
  O  O25  1  0.798  0.598  0.483  1.0
  O  O26  1  0.705  0.403  0.018  1.0
  O  O27  1  0.763  0.249  0.324  1.0
  O  O28  1  0.922  0.359  0.770  1.0
  O  O29  1  0.865  0.136  0.029  1.0
[/CIF]
.
The compound described by LiCr2(PO5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(20), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(18), one O(19), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-41°. In the second Cr site, Cr(2) is bonded to one O(11), one O(19), one O(3), one O(4), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-41°. In the third Cr site, Cr(3) is bonded to one O(10), one O(13), one O(16), one O(17), one O(18), and one O(2) atom to form CrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-40°. In the fourth Cr site, Cr(4) is bonded to one O(13), one O(18), one O(20), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 28-40°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-54°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(1) 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 Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(4), 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(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Cr(3) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(3), and one Cr(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.974
_cell_length_c   8.039
_cell_angle_alpha   89.962
_cell_angle_beta   90.673
_cell_angle_gamma   116.058
_symmetry_Int_Tables_number   1
_cell_volume   339.053
_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  0.222  0.280  0.072  1.0
  Li  Li1  1  0.690  0.184  0.569  1.0
  Cr  Cr2  1  0.243  0.003  0.755  1.0
  Cr  Cr3  1  0.247  0.502  0.740  1.0
  Cr  Cr4  1  0.760  0.503  0.249  1.0
  Cr  Cr5  1  0.752  0.001  0.243  1.0
  P  P6  1  0.240  0.756  0.084  1.0
  P  P7  1  0.263  0.243  0.415  1.0
  P  P8  1  0.740  0.755  0.583  1.0
  P  P9  1  0.760  0.247  0.914  1.0
  O  O10  1  0.146  0.881  0.977  1.0
  O  O11  1  0.072  0.634  0.223  1.0
  O  O12  1  0.235  0.741  0.696  1.0
  O  O13  1  0.281  0.585  0.986  1.0
  O  O14  1  0.192  0.389  0.518  1.0
  O  O15  1  0.066  0.090  0.308  1.0
  O  O16  1  0.452  0.917  0.172  1.0
  O  O17  1  0.260  0.258  0.827  1.0
  O  O18  1  0.657  0.891  0.476  1.0
  O  O19  1  0.435  0.372  0.281  1.0
  O  O20  1  0.563  0.624  0.712  1.0
  O  O21  1  0.359  0.127  0.532  1.0
  O  O22  1  0.739  0.752  0.194  1.0
  O  O23  1  0.554  0.086  0.818  1.0
  O  O24  1  0.943  0.912  0.683  1.0
  O  O25  1  0.798  0.598  0.483  1.0
  O  O26  1  0.705  0.403  0.018  1.0
  O  O27  1  0.763  0.249  0.324  1.0
  O  O28  1  0.922  0.359  0.770  1.0
  O  O29  1  0.865  0.136  0.029  1.0
[/CIF]
.