The crystal structure described by Li17Cr2O12 crystallizes in the triclinic P1 space group. There are seventeen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-59°. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-57°. In the fourth Li site, Li(4) is bonded to one O(12), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-64°. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(17)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-64°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(16)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-63°. In the eighth Li site, Li(8) is bonded to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(4), and one O(8) atom. In the eleventh Li site, Li(11) is bonded to one O(10), one O(12), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(16)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-64°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(11), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(10), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-60°. In the fourteenth Li site, Li(14) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-61°. In the fifteenth Li site, Li(15) is bonded to one O(12), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-62°. In the sixteenth Li site, Li(16) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the seventeenth Li site, Li(17) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, edges with two equivalent Li(17)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(13), one Li(16), one Li(2), one Li(5), one Li(7), one Li(8), and one Cr(2) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(14), one Li(17), one Li(3), one Li(6), one Li(7), one Li(9), and one Cr(2) atom. In the third O site, O(3) is bonded in a 8-coordinate geometry to one Li(1), one Li(15), one Li(16), one Li(17), one Li(4), one Li(5), one Li(6), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(4), one Li(6), one Li(8), one Li(9), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(17), one Li(2), one Li(4), one Li(5), one Li(9), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(15), one Li(16), one Li(5), one Li(8), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(15), one Li(17), one Li(6), one Li(9), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal bipyramidal geometry to one Li(12), one Li(13), one Li(14), one Li(7), one Li(8), one Li(9), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(13), one Li(16), one Li(17), one Li(2), and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(12), one Li(14), one Li(16), one Li(3), one Li(8), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(15), one Li(17), one Li(4), one Li(9), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.932
_cell_length_c   8.079
_cell_angle_alpha   96.647
_cell_angle_beta   90.030
_cell_angle_gamma   90.300
_symmetry_Int_Tables_number   1
_cell_volume   260.729
_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  0.994  0.321  0.841  1.0
  Li  Li1  1  0.865  0.730  0.378  1.0
  Li  Li2  1  0.823  0.422  0.079  1.0
  Li  Li3  1  0.798  0.043  0.699  1.0
  Li  Li4  1  0.670  0.085  0.429  1.0
  Li  Li5  1  0.654  0.459  0.790  1.0
  Li  Li6  1  0.646  0.777  0.129  1.0
  Li  Li7  1  0.487  0.175  0.157  1.0
  Li  Li8  1  0.514  0.831  0.851  1.0
  Li  Li9  1  0.374  0.218  0.875  1.0
  Li  Li10  1  0.329  0.914  0.570  1.0
  Li  Li11  1  0.309  0.559  0.204  1.0
  Li  Li12  1  0.197  0.938  0.293  1.0
  Li  Li13  1  0.188  0.607  0.943  1.0
  Li  Li14  1  0.145  0.263  0.602  1.0
  Li  Li15  1  1.000  0.317  0.337  1.0
  Li  Li16  1  0.008  0.673  0.662  1.0
  Cr  Cr17  1  0.497  0.501  0.496  1.0
  Cr  Cr18  1  0.002  0.996  0.004  1.0
  O  O19  1  0.862  0.998  0.239  1.0
  O  O20  1  0.844  0.677  0.928  1.0
  O  O21  1  0.801  0.338  0.581  1.0
  O  O22  1  0.701  0.168  0.921  1.0
  O  O23  1  0.651  0.794  0.572  1.0
  O  O24  1  0.643  0.503  0.275  1.0
  O  O25  1  0.348  0.198  0.421  1.0
  O  O26  1  0.331  0.495  0.729  1.0
  O  O27  1  0.322  0.850  0.076  1.0
  O  O28  1  0.198  0.657  0.425  1.0
  O  O29  1  0.159  0.318  0.061  1.0
  O  O30  1  0.138  0.016  0.761  1.0
[/CIF]
.
The crystal structure described by Li17Cr2O12 crystallizes in the triclinic P1 space group. There are seventeen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-59°. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-57°. In the fourth Li site, Li(4) is bonded to one O(12), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-64°. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(17)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-64°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(16)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-63°. In the eighth Li site, Li(8) is bonded to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(4), and one O(8) atom. In the eleventh Li site, Li(11) is bonded to one O(10), one O(12), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(16)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-64°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(11), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(10), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-60°. In the fourteenth Li site, Li(14) is bonded to one O(11), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-61°. In the fifteenth Li site, Li(15) is bonded to one O(12), one O(3), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(17)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-62°. In the sixteenth Li site, Li(16) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(17)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the seventeenth Li site, Li(17) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, edges with two equivalent Li(17)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(17)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(13), one Li(16), one Li(2), one Li(5), one Li(7), one Li(8), and one Cr(2) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(14), one Li(17), one Li(3), one Li(6), one Li(7), one Li(9), and one Cr(2) atom. In the third O site, O(3) is bonded in a 8-coordinate geometry to one Li(1), one Li(15), one Li(16), one Li(17), one Li(4), one Li(5), one Li(6), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(4), one Li(6), one Li(8), one Li(9), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(17), one Li(2), one Li(4), one Li(5), one Li(9), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(15), one Li(16), one Li(5), one Li(8), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(15), one Li(17), one Li(6), one Li(9), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal bipyramidal geometry to one Li(12), one Li(13), one Li(14), one Li(7), one Li(8), one Li(9), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(12), one Li(13), one Li(16), one Li(17), one Li(2), and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(12), one Li(14), one Li(16), one Li(3), one Li(8), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(15), one Li(17), one Li(4), one Li(9), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.932
_cell_length_c   8.079
_cell_angle_alpha   96.647
_cell_angle_beta   90.030
_cell_angle_gamma   90.300
_symmetry_Int_Tables_number   1
_cell_volume   260.729
_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  0.994  0.321  0.841  1.0
  Li  Li1  1  0.865  0.730  0.378  1.0
  Li  Li2  1  0.823  0.422  0.079  1.0
  Li  Li3  1  0.798  0.043  0.699  1.0
  Li  Li4  1  0.670  0.085  0.429  1.0
  Li  Li5  1  0.654  0.459  0.790  1.0
  Li  Li6  1  0.646  0.777  0.129  1.0
  Li  Li7  1  0.487  0.175  0.157  1.0
  Li  Li8  1  0.514  0.831  0.851  1.0
  Li  Li9  1  0.374  0.218  0.875  1.0
  Li  Li10  1  0.329  0.914  0.570  1.0
  Li  Li11  1  0.309  0.559  0.204  1.0
  Li  Li12  1  0.197  0.938  0.293  1.0
  Li  Li13  1  0.188  0.607  0.943  1.0
  Li  Li14  1  0.145  0.263  0.602  1.0
  Li  Li15  1  1.000  0.317  0.337  1.0
  Li  Li16  1  0.008  0.673  0.662  1.0
  Cr  Cr17  1  0.497  0.501  0.496  1.0
  Cr  Cr18  1  0.002  0.996  0.004  1.0
  O  O19  1  0.862  0.998  0.239  1.0
  O  O20  1  0.844  0.677  0.928  1.0
  O  O21  1  0.801  0.338  0.581  1.0
  O  O22  1  0.701  0.168  0.921  1.0
  O  O23  1  0.651  0.794  0.572  1.0
  O  O24  1  0.643  0.503  0.275  1.0
  O  O25  1  0.348  0.198  0.421  1.0
  O  O26  1  0.331  0.495  0.729  1.0
  O  O27  1  0.322  0.850  0.076  1.0
  O  O28  1  0.198  0.657  0.425  1.0
  O  O29  1  0.159  0.318  0.061  1.0
  O  O30  1  0.138  0.016  0.761  1.0
[/CIF]
.