The material structure described by LiCrNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(1)LiCr2Ni trigonal pyramid, and edges with two equivalent O(2)LiCrNi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Ni(1) atoms to form distorted OLiCrNi2 trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(2)LiCrNi2 trigonal pyramid, and edges with two equivalent O(1)LiCr2Ni trigonal pyramids. is represented by the CIF card [CIF]
data_LiCrNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   5.845
_cell_length_c   5.845
_cell_angle_alpha   120.401
_cell_angle_beta   119.469
_cell_angle_gamma   90.114
_symmetry_Int_Tables_number   1
_cell_volume   141.337
_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  0.629  0.879  0.750  1.0
  Li  Li1  1  0.371  0.121  0.250  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.762  0.288  0.027  1.0
  O  O7  1  0.769  0.738  0.031  1.0
  O  O8  1  0.207  0.738  0.469  1.0
  O  O9  1  0.762  0.735  0.473  1.0
  O  O10  1  0.238  0.265  0.527  1.0
  O  O11  1  0.231  0.262  0.969  1.0
  O  O12  1  0.793  0.262  0.531  1.0
  O  O13  1  0.238  0.712  0.973  1.0
[/CIF]
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The material structure described by LiCrNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(1)LiCr2Ni trigonal pyramid, and edges with two equivalent O(2)LiCrNi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Ni(1) atoms to form distorted OLiCrNi2 trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(2)LiCrNi2 trigonal pyramid, and edges with two equivalent O(1)LiCr2Ni trigonal pyramids. is represented by the CIF card [CIF]
data_LiCrNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   5.845
_cell_length_c   5.845
_cell_angle_alpha   120.401
_cell_angle_beta   119.469
_cell_angle_gamma   90.114
_symmetry_Int_Tables_number   1
_cell_volume   141.337
_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  0.629  0.879  0.750  1.0
  Li  Li1  1  0.371  0.121  0.250  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.762  0.288  0.027  1.0
  O  O7  1  0.769  0.738  0.031  1.0
  O  O8  1  0.207  0.738  0.469  1.0
  O  O9  1  0.762  0.735  0.473  1.0
  O  O10  1  0.238  0.265  0.527  1.0
  O  O11  1  0.231  0.262  0.969  1.0
  O  O12  1  0.793  0.262  0.531  1.0
  O  O13  1  0.238  0.712  0.973  1.0
[/CIF]
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