The crystal structure described by LiCr4In4O12 crystallizes in the triclinic P1 space group. Li(1) is bonded to one In(3), one O(1), one O(6), one O(8), and one O(9) atom to form distorted LiInO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one O(10)Cr2In2 trigonal pyramid,  a cornercorner with one O(11)Cr2In2 trigonal pyramid,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-69°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and corners with two equivalent Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. 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 corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra, and corners with two equivalent Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the third Cr site, Cr(3) 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 distorted CrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third In site, In(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(2), one In(3), and one In(4) atom. In the second O site, O(2) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the third O site, O(3) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Cr(3), one Cr(4), one In(3), and one In(4) atom. In the seventh O site, O(7) is bonded to one Cr(3), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(3), one In(3), and one In(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(3), and one In(4) atom. In the tenth O site, O(10) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form OCr2In2 trigonal pyramids that share  a cornercorner with one Li(1)InO4 tetrahedra,  a cornercorner with one O(12)Cr2In2 trigonal pyramid,  a cornercorner with one O(7)Cr2In2 trigonal pyramid, corners with two equivalent O(3)Cr2In2 trigonal pyramids, corners with two equivalent O(5)Cr2In2 trigonal pyramids, and  an edgeedge with one O(11)Cr2In2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Cr(2), one Cr(4), one In(3), and one In(4) atom to form OCr2In2 trigonal pyramids that share  a cornercorner with one Li(1)InO4 tetrahedra,  a cornercorner with one O(12)Cr2In2 trigonal pyramid,  a cornercorner with one O(7)Cr2In2 trigonal pyramid, corners with two equivalent O(2)Cr2In2 trigonal pyramids, corners with two equivalent O(4)Cr2In2 trigonal pyramids, and  an edgeedge with one O(10)Cr2In2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Cr(1), one Cr(2), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCr4In4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.617
_cell_length_c   7.939
_cell_angle_alpha   90.016
_cell_angle_beta   90.016
_cell_angle_gamma   88.863
_symmetry_Int_Tables_number   1
_cell_volume   232.813
_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  0.430  0.232  0.250  1.0
  Cr  Cr1  1  0.003  0.496  0.999  1.0
  Cr  Cr2  1  0.003  0.496  0.501  1.0
  Cr  Cr3  1  0.499  0.994  0.987  1.0
  Cr  Cr4  1  0.499  0.994  0.513  1.0
  In  In5  1  0.030  0.934  0.750  1.0
  In  In6  1  0.475  0.437  0.750  1.0
  In  In7  1  0.554  0.611  0.250  1.0
  In  In8  1  0.956  0.064  0.250  1.0
  O  O9  1  0.144  0.438  0.250  1.0
  O  O10  1  0.192  0.196  0.573  1.0
  O  O11  1  0.191  0.196  0.927  1.0
  O  O12  1  0.301  0.694  0.574  1.0
  O  O13  1  0.301  0.694  0.926  1.0
  O  O14  1  0.350  0.937  0.251  1.0
  O  O15  1  0.638  0.066  0.750  1.0
  O  O16  1  0.688  0.300  0.078  1.0
  O  O17  1  0.688  0.300  0.422  1.0
  O  O18  1  0.807  0.799  0.070  1.0
  O  O19  1  0.807  0.799  0.430  1.0
  O  O20  1  0.869  0.561  0.750  1.0
[/CIF]
.
The crystal structure described by LiCr4In4O12 crystallizes in the triclinic P1 space group. Li(1) is bonded to one In(3), one O(1), one O(6), one O(8), and one O(9) atom to form distorted LiInO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one O(10)Cr2In2 trigonal pyramid,  a cornercorner with one O(11)Cr2In2 trigonal pyramid,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-69°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and corners with two equivalent Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. 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 corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra, and corners with two equivalent Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the third Cr site, Cr(3) 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 distorted CrO6 octahedra that share corners with two equivalent Cr(4)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(1)InO4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third In site, In(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(2), one In(3), and one In(4) atom. In the second O site, O(2) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the third O site, O(3) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Cr(3), one Cr(4), one In(3), and one In(4) atom. In the seventh O site, O(7) is bonded to one Cr(3), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(3), one In(3), and one In(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(3), and one In(4) atom. In the tenth O site, O(10) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form OCr2In2 trigonal pyramids that share  a cornercorner with one Li(1)InO4 tetrahedra,  a cornercorner with one O(12)Cr2In2 trigonal pyramid,  a cornercorner with one O(7)Cr2In2 trigonal pyramid, corners with two equivalent O(3)Cr2In2 trigonal pyramids, corners with two equivalent O(5)Cr2In2 trigonal pyramids, and  an edgeedge with one O(11)Cr2In2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Cr(2), one Cr(4), one In(3), and one In(4) atom to form OCr2In2 trigonal pyramids that share  a cornercorner with one Li(1)InO4 tetrahedra,  a cornercorner with one O(12)Cr2In2 trigonal pyramid,  a cornercorner with one O(7)Cr2In2 trigonal pyramid, corners with two equivalent O(2)Cr2In2 trigonal pyramids, corners with two equivalent O(4)Cr2In2 trigonal pyramids, and  an edgeedge with one O(10)Cr2In2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Cr(1), one Cr(2), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing OCr2In2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCr4In4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.617
_cell_length_c   7.939
_cell_angle_alpha   90.016
_cell_angle_beta   90.016
_cell_angle_gamma   88.863
_symmetry_Int_Tables_number   1
_cell_volume   232.813
_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  0.430  0.232  0.250  1.0
  Cr  Cr1  1  0.003  0.496  0.999  1.0
  Cr  Cr2  1  0.003  0.496  0.501  1.0
  Cr  Cr3  1  0.499  0.994  0.987  1.0
  Cr  Cr4  1  0.499  0.994  0.513  1.0
  In  In5  1  0.030  0.934  0.750  1.0
  In  In6  1  0.475  0.437  0.750  1.0
  In  In7  1  0.554  0.611  0.250  1.0
  In  In8  1  0.956  0.064  0.250  1.0
  O  O9  1  0.144  0.438  0.250  1.0
  O  O10  1  0.192  0.196  0.573  1.0
  O  O11  1  0.191  0.196  0.927  1.0
  O  O12  1  0.301  0.694  0.574  1.0
  O  O13  1  0.301  0.694  0.926  1.0
  O  O14  1  0.350  0.937  0.251  1.0
  O  O15  1  0.638  0.066  0.750  1.0
  O  O16  1  0.688  0.300  0.078  1.0
  O  O17  1  0.688  0.300  0.422  1.0
  O  O18  1  0.807  0.799  0.070  1.0
  O  O19  1  0.807  0.799  0.430  1.0
  O  O20  1  0.869  0.561  0.750  1.0
[/CIF]
.