The compound described by Li2CrCl4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(3), one Cl(4), and one Cl(9) atom to form LiCl4 tetrahedra that share  a cornercorner with one Li(5)Cl6 octahedra,  a cornercorner with one Li(8)Cl6 octahedra, corners with two equivalent Li(4)Cl6 octahedra, corners with two equivalent Cr(1)Cl6 octahedra, corners with two equivalent Cr(2)Cl6 octahedra, corners with three equivalent Cr(3)Cl6 octahedra, and  a cornercorner with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 52-66°. In the second Li site, Li(2) is bonded to one Cl(10), one Cl(11), one Cl(13), one Cl(15), one Cl(16), and one Cl(5) atom to form LiCl6 octahedra that share corners with three equivalent Li(7)Cl6 octahedra, corners with three equivalent Cr(3)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(3)Cl6 octahedra, edges with two equivalent Li(5)Cl6 octahedra, edges with two equivalent Li(8)Cl6 octahedra,  an edgeedge with one Li(6)Cl5 square pyramid, and  an edgeedge with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(5), and one Cl(6) atom to form distorted LiCl6 octahedra that share corners with three equivalent Cr(2)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Cr(4)Cl5 square pyramids,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra, edges with two equivalent Li(7)Cl6 octahedra, and  an edgeedge with one Li(6)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(8) atom to form LiCl6 octahedra that share  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Cr(1)Cl6 octahedra, and edges with two equivalent Cr(2)Cl6 octahedra. In the fifth Li site, Li(5) is bonded to one Cl(10), one Cl(14), one Cl(15), one Cl(16), one Cl(5), and one Cl(9) atom to form LiCl6 octahedra that share  a cornercorner with one Cr(4)Cl5 square pyramid, corners with three equivalent Li(6)Cl5 square pyramids,  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, edges with two equivalent Li(8)Cl6 octahedra, and  an edgeedge with one Cr(4)Cl5 square pyramid. In the sixth Li site, Li(6) is bonded to one Cl(10), one Cl(12), one Cl(14), one Cl(5), and one Cl(8) atom to form LiCl5 square pyramids that share  a cornercorner with one Li(3)Cl6 octahedra,  a cornercorner with one Li(4)Cl6 octahedra,  a cornercorner with one Cr(2)Cl6 octahedra, corners with two equivalent Cr(1)Cl6 octahedra, corners with three equivalent Li(5)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra, and edges with two equivalent Li(7)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 3-86°. In the seventh Li site, Li(7) is bonded to one Cl(10), one Cl(11), one Cl(12), one Cl(5), one Cl(6), and one Cl(8) atom to form distorted LiCl6 octahedra that share corners with three equivalent Li(2)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra,  an edgeedge with one Cr(2)Cl6 octahedra, edges with two equivalent Li(3)Cl6 octahedra, and edges with two equivalent Li(6)Cl5 square pyramids. The corner-sharing octahedral tilt angles range from 7-11°. In the eighth Li site, Li(8) is bonded to one Cl(10), one Cl(11), one Cl(13), one Cl(14), one Cl(15), and one Cl(9) atom to form LiCl6 octahedra that share  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, edges with two equivalent Li(5)Cl6 octahedra,  an edgeedge with one Li(6)Cl5 square pyramid, and edges with two equivalent Cr(4)Cl5 square pyramids. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(3), one Cl(7), and one Cl(8) atom to form CrCl6 octahedra that share corners with two equivalent Li(6)Cl5 square pyramids, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(4)Cl6 octahedra, and edges with two equivalent Cr(2)Cl6 octahedra. In the second Cr site, Cr(2) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(4), one Cl(6), and one Cl(7) atom to form distorted CrCl6 octahedra that share corners with three equivalent Li(3)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(4)Cl6 octahedra, and edges with two equivalent Cr(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Cr site, Cr(3) is bonded to one Cl(1), one Cl(13), one Cl(15), one Cl(16), one Cl(3), and one Cl(4) atom to form CrCl6 octahedra that share corners with three equivalent Li(2)Cl6 octahedra, corners with three equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra,  an edgeedge with one Cr(2)Cl6 octahedra, and  an edgeedge with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth Cr site, Cr(4) is bonded to one Cl(11), one Cl(13), one Cl(14), one Cl(16), and one Cl(9) atom to form distorted CrCl5 square pyramids that share  a cornercorner with one Li(2)Cl6 octahedra,  a cornercorner with one Li(5)Cl6 octahedra,  a cornercorner with one Li(7)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid,  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, and edges with two equivalent Li(8)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-88°. There are sixteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Cr(3) atom. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Cr(2) atom. In the third Cl site, Cl(3) is bonded to one Li(1), one Li(4), one Cr(1), and one Cr(3) atom to form distorted corner-sharing ClLi2Cr2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Cr(2), and one Cr(3) atom. In the fifth Cl site, Cl(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), and one Li(7) atom to form distorted ClLi5 trigonal bipyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(14)Li4Cr square pyramid, corners with three equivalent Cl(12)Li3Cr2 square pyramids,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and edges with two equivalent Cl(10)Li5 square pyramids. In the sixth Cl site, Cl(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(7), and one Cr(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(1), and one Cr(2) atom. In the eighth Cl site, Cl(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(7), and one Cr(1) atom. In the ninth Cl site, Cl(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one Cr(4) atom. In the tenth Cl site, Cl(10) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), and one Li(8) atom to form ClLi5 square pyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(14)Li4Cr square pyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and edges with two equivalent Cl(5)Li5 trigonal bipyramids. In the eleventh Cl site, Cl(11) is bonded to one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(4) atom to form distorted ClLi4Cr square pyramids that share  a cornercorner with one Cl(14)Li4Cr square pyramid,  a cornercorner with one Cl(10)Li5 square pyramid,  a cornercorner with one Cl(5)Li5 trigonal bipyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid,  an edgeedge with one Cl(10)Li5 square pyramid, and  an edgeedge with one Cl(5)Li5 trigonal bipyramid. In the twelfth Cl site, Cl(12) is bonded to one Li(3), one Li(6), one Li(7), one Cr(1), and one Cr(2) atom to form distorted ClLi3Cr2 square pyramids that share  a cornercorner with one Cl(3)Li2Cr2 tetrahedra, corners with three equivalent Cl(5)Li5 trigonal bipyramids,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and  an edgeedge with one Cl(10)Li5 square pyramid. In the thirteenth Cl site, Cl(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(8), one Cr(3), and one Cr(4) atom. In the fourteenth Cl site, Cl(14) is bonded to one Li(3), one Li(5), one Li(6), one Li(8), and one Cr(4) atom to form ClLi4Cr square pyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(10)Li5 square pyramid,  a cornercorner with one Cl(5)Li5 trigonal bipyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(10)Li5 square pyramid, and  an edgeedge with one Cl(5)Li5 trigonal bipyramid. In the fifteenth Cl site, Cl(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Li(8), and one Cr(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Cr(3), and one Cr(4) atom. is represented by the CIF file [CIF]
data_Li2CrCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.229
_cell_length_b   7.423
_cell_length_c   12.837
_cell_angle_alpha   78.005
_cell_angle_beta   74.783
_cell_angle_gamma   62.500
_symmetry_Int_Tables_number   1
_cell_volume   586.551
_cell_formula_units_Z   4
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  0.158  0.178  0.949  1.0
  Li  Li1  1  0.739  0.752  0.257  1.0
  Li  Li2  1  0.032  0.492  0.495  1.0
  Li  Li3  1  0.745  0.778  0.742  1.0
  Li  Li4  1  0.254  0.763  0.245  1.0
  Li  Li5  1  0.491  0.033  0.480  1.0
  Li  Li6  1  0.017  0.984  0.502  1.0
  Li  Li7  1  0.259  0.242  0.249  1.0
  Cr  Cr8  1  0.750  0.246  0.746  1.0
  Cr  Cr9  1  0.248  0.753  0.746  1.0
  Cr  Cr10  1  0.487  0.496  0.009  1.0
  Cr  Cr11  1  0.750  0.255  0.250  1.0
  Cl  Cl12  1  0.354  0.385  0.895  1.0
  Cl  Cl13  1  0.614  0.586  0.648  1.0
  Cl  Cl14  1  0.826  0.390  0.876  1.0
  Cl  Cl15  1  0.375  0.871  0.860  1.0
  Cl  Cl16  1  0.880  0.838  0.392  1.0
  Cl  Cl17  1  0.118  0.648  0.630  1.0
  Cl  Cl18  1  0.889  0.916  0.849  1.0
  Cl  Cl19  1  0.649  0.111  0.629  1.0
  Cl  Cl20  1  0.108  0.112  0.141  1.0
  Cl  Cl21  1  0.368  0.893  0.367  1.0
  Cl  Cl22  1  0.876  0.380  0.360  1.0
  Cl  Cl23  1  0.135  0.151  0.603  1.0
  Cl  Cl24  1  0.641  0.106  0.145  1.0
  Cl  Cl25  1  0.404  0.365  0.370  1.0
  Cl  Cl26  1  0.156  0.592  0.137  1.0
  Cl  Cl27  1  0.618  0.622  0.117  1.0
[/CIF]
.
The compound described by Li2CrCl4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(3), one Cl(4), and one Cl(9) atom to form LiCl4 tetrahedra that share  a cornercorner with one Li(5)Cl6 octahedra,  a cornercorner with one Li(8)Cl6 octahedra, corners with two equivalent Li(4)Cl6 octahedra, corners with two equivalent Cr(1)Cl6 octahedra, corners with two equivalent Cr(2)Cl6 octahedra, corners with three equivalent Cr(3)Cl6 octahedra, and  a cornercorner with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 52-66°. In the second Li site, Li(2) is bonded to one Cl(10), one Cl(11), one Cl(13), one Cl(15), one Cl(16), and one Cl(5) atom to form LiCl6 octahedra that share corners with three equivalent Li(7)Cl6 octahedra, corners with three equivalent Cr(3)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(3)Cl6 octahedra, edges with two equivalent Li(5)Cl6 octahedra, edges with two equivalent Li(8)Cl6 octahedra,  an edgeedge with one Li(6)Cl5 square pyramid, and  an edgeedge with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one Cl(11), one Cl(12), one Cl(14), one Cl(2), one Cl(5), and one Cl(6) atom to form distorted LiCl6 octahedra that share corners with three equivalent Cr(2)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Cr(4)Cl5 square pyramids,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra, edges with two equivalent Li(7)Cl6 octahedra, and  an edgeedge with one Li(6)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(8) atom to form LiCl6 octahedra that share  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Cr(1)Cl6 octahedra, and edges with two equivalent Cr(2)Cl6 octahedra. In the fifth Li site, Li(5) is bonded to one Cl(10), one Cl(14), one Cl(15), one Cl(16), one Cl(5), and one Cl(9) atom to form LiCl6 octahedra that share  a cornercorner with one Cr(4)Cl5 square pyramid, corners with three equivalent Li(6)Cl5 square pyramids,  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, edges with two equivalent Li(8)Cl6 octahedra, and  an edgeedge with one Cr(4)Cl5 square pyramid. In the sixth Li site, Li(6) is bonded to one Cl(10), one Cl(12), one Cl(14), one Cl(5), and one Cl(8) atom to form LiCl5 square pyramids that share  a cornercorner with one Li(3)Cl6 octahedra,  a cornercorner with one Li(4)Cl6 octahedra,  a cornercorner with one Cr(2)Cl6 octahedra, corners with two equivalent Cr(1)Cl6 octahedra, corners with three equivalent Li(5)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra, and edges with two equivalent Li(7)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 3-86°. In the seventh Li site, Li(7) is bonded to one Cl(10), one Cl(11), one Cl(12), one Cl(5), one Cl(6), and one Cl(8) atom to form distorted LiCl6 octahedra that share corners with three equivalent Li(2)Cl6 octahedra,  a cornercorner with one Cr(4)Cl5 square pyramid,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra,  an edgeedge with one Cr(2)Cl6 octahedra, edges with two equivalent Li(3)Cl6 octahedra, and edges with two equivalent Li(6)Cl5 square pyramids. The corner-sharing octahedral tilt angles range from 7-11°. In the eighth Li site, Li(8) is bonded to one Cl(10), one Cl(11), one Cl(13), one Cl(14), one Cl(15), and one Cl(9) atom to form LiCl6 octahedra that share  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(2)Cl6 octahedra, edges with two equivalent Li(5)Cl6 octahedra,  an edgeedge with one Li(6)Cl5 square pyramid, and edges with two equivalent Cr(4)Cl5 square pyramids. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(3), one Cl(7), and one Cl(8) atom to form CrCl6 octahedra that share corners with two equivalent Li(6)Cl5 square pyramids, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(3)Cl6 octahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(4)Cl6 octahedra, and edges with two equivalent Cr(2)Cl6 octahedra. In the second Cr site, Cr(2) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(4), one Cl(6), and one Cl(7) atom to form distorted CrCl6 octahedra that share corners with three equivalent Li(3)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid, corners with two equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(7)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, edges with two equivalent Li(4)Cl6 octahedra, and edges with two equivalent Cr(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Cr site, Cr(3) is bonded to one Cl(1), one Cl(13), one Cl(15), one Cl(16), one Cl(3), and one Cl(4) atom to form CrCl6 octahedra that share corners with three equivalent Li(2)Cl6 octahedra, corners with three equivalent Li(1)Cl4 tetrahedra,  an edgeedge with one Li(4)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Li(8)Cl6 octahedra,  an edgeedge with one Cr(1)Cl6 octahedra,  an edgeedge with one Cr(2)Cl6 octahedra, and  an edgeedge with one Cr(4)Cl5 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth Cr site, Cr(4) is bonded to one Cl(11), one Cl(13), one Cl(14), one Cl(16), and one Cl(9) atom to form distorted CrCl5 square pyramids that share  a cornercorner with one Li(2)Cl6 octahedra,  a cornercorner with one Li(5)Cl6 octahedra,  a cornercorner with one Li(7)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra,  a cornercorner with one Li(6)Cl5 square pyramid,  a cornercorner with one Li(1)Cl4 tetrahedra,  an edgeedge with one Li(2)Cl6 octahedra,  an edgeedge with one Li(5)Cl6 octahedra,  an edgeedge with one Cr(3)Cl6 octahedra, and edges with two equivalent Li(8)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-88°. There are sixteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Cr(3) atom. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Cr(2) atom. In the third Cl site, Cl(3) is bonded to one Li(1), one Li(4), one Cr(1), and one Cr(3) atom to form distorted corner-sharing ClLi2Cr2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Cr(2), and one Cr(3) atom. In the fifth Cl site, Cl(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), and one Li(7) atom to form distorted ClLi5 trigonal bipyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(14)Li4Cr square pyramid, corners with three equivalent Cl(12)Li3Cr2 square pyramids,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and edges with two equivalent Cl(10)Li5 square pyramids. In the sixth Cl site, Cl(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(7), and one Cr(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(1), and one Cr(2) atom. In the eighth Cl site, Cl(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(7), and one Cr(1) atom. In the ninth Cl site, Cl(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one Cr(4) atom. In the tenth Cl site, Cl(10) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), and one Li(8) atom to form ClLi5 square pyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(14)Li4Cr square pyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and edges with two equivalent Cl(5)Li5 trigonal bipyramids. In the eleventh Cl site, Cl(11) is bonded to one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(4) atom to form distorted ClLi4Cr square pyramids that share  a cornercorner with one Cl(14)Li4Cr square pyramid,  a cornercorner with one Cl(10)Li5 square pyramid,  a cornercorner with one Cl(5)Li5 trigonal bipyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid,  an edgeedge with one Cl(10)Li5 square pyramid, and  an edgeedge with one Cl(5)Li5 trigonal bipyramid. In the twelfth Cl site, Cl(12) is bonded to one Li(3), one Li(6), one Li(7), one Cr(1), and one Cr(2) atom to form distorted ClLi3Cr2 square pyramids that share  a cornercorner with one Cl(3)Li2Cr2 tetrahedra, corners with three equivalent Cl(5)Li5 trigonal bipyramids,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(14)Li4Cr square pyramid, and  an edgeedge with one Cl(10)Li5 square pyramid. In the thirteenth Cl site, Cl(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(8), one Cr(3), and one Cr(4) atom. In the fourteenth Cl site, Cl(14) is bonded to one Li(3), one Li(5), one Li(6), one Li(8), and one Cr(4) atom to form ClLi4Cr square pyramids that share  a cornercorner with one Cl(11)Li4Cr square pyramid,  a cornercorner with one Cl(10)Li5 square pyramid,  a cornercorner with one Cl(5)Li5 trigonal bipyramid,  an edgeedge with one Cl(12)Li3Cr2 square pyramid,  an edgeedge with one Cl(11)Li4Cr square pyramid,  an edgeedge with one Cl(10)Li5 square pyramid, and  an edgeedge with one Cl(5)Li5 trigonal bipyramid. In the fifteenth Cl site, Cl(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Li(8), and one Cr(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Cr(3), and one Cr(4) atom. is represented by the CIF file [CIF]
data_Li2CrCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.229
_cell_length_b   7.423
_cell_length_c   12.837
_cell_angle_alpha   78.005
_cell_angle_beta   74.783
_cell_angle_gamma   62.500
_symmetry_Int_Tables_number   1
_cell_volume   586.551
_cell_formula_units_Z   4
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  0.158  0.178  0.949  1.0
  Li  Li1  1  0.739  0.752  0.257  1.0
  Li  Li2  1  0.032  0.492  0.495  1.0
  Li  Li3  1  0.745  0.778  0.742  1.0
  Li  Li4  1  0.254  0.763  0.245  1.0
  Li  Li5  1  0.491  0.033  0.480  1.0
  Li  Li6  1  0.017  0.984  0.502  1.0
  Li  Li7  1  0.259  0.242  0.249  1.0
  Cr  Cr8  1  0.750  0.246  0.746  1.0
  Cr  Cr9  1  0.248  0.753  0.746  1.0
  Cr  Cr10  1  0.487  0.496  0.009  1.0
  Cr  Cr11  1  0.750  0.255  0.250  1.0
  Cl  Cl12  1  0.354  0.385  0.895  1.0
  Cl  Cl13  1  0.614  0.586  0.648  1.0
  Cl  Cl14  1  0.826  0.390  0.876  1.0
  Cl  Cl15  1  0.375  0.871  0.860  1.0
  Cl  Cl16  1  0.880  0.838  0.392  1.0
  Cl  Cl17  1  0.118  0.648  0.630  1.0
  Cl  Cl18  1  0.889  0.916  0.849  1.0
  Cl  Cl19  1  0.649  0.111  0.629  1.0
  Cl  Cl20  1  0.108  0.112  0.141  1.0
  Cl  Cl21  1  0.368  0.893  0.367  1.0
  Cl  Cl22  1  0.876  0.380  0.360  1.0
  Cl  Cl23  1  0.135  0.151  0.603  1.0
  Cl  Cl24  1  0.641  0.106  0.145  1.0
  Cl  Cl25  1  0.404  0.365  0.370  1.0
  Cl  Cl26  1  0.156  0.592  0.137  1.0
  Cl  Cl27  1  0.618  0.622  0.117  1.0
[/CIF]
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