The compound described by LiCrAlO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. Al(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form AlO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1) and three equivalent Al(1) atoms to form OAl3Cr trigonal pyramids that share  a cornercorner with one O(4)Li2AlCr2 trigonal bipyramid, corners with two equivalent O(1)Al3Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 trigonal bipyramids, and edges with two equivalent O(1)Al3Cr trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Al(1) atom to form distorted OLi2AlCr2 trigonal bipyramids that share  a cornercorner with one O(1)Al3Cr trigonal pyramid, edges with two equivalent O(4)Li2AlCr2 trigonal bipyramids, and edges with two equivalent O(1)Al3Cr trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.882
_cell_length_b   9.299
_cell_length_c   10.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.743
_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  0.250  0.100  0.619  1.0
  Li  Li1  1  0.750  0.400  0.119  1.0
  Li  Li2  1  0.250  0.600  0.881  1.0
  Li  Li3  1  0.750  0.900  0.381  1.0
  Al  Al4  1  0.250  0.008  0.124  1.0
  Al  Al5  1  0.750  0.492  0.624  1.0
  Al  Al6  1  0.250  0.508  0.376  1.0
  Al  Al7  1  0.750  0.992  0.876  1.0
  Cr  Cr8  1  0.750  0.230  0.342  1.0
  Cr  Cr9  1  0.250  0.270  0.842  1.0
  Cr  Cr10  1  0.750  0.730  0.158  1.0
  Cr  Cr11  1  0.250  0.770  0.658  1.0
  O  O12  1  0.250  0.101  0.958  1.0
  O  O13  1  0.250  0.138  0.429  1.0
  O  O14  1  0.750  0.106  0.199  1.0
  O  O15  1  0.750  0.147  0.754  1.0
  O  O16  1  0.250  0.353  0.254  1.0
  O  O17  1  0.250  0.394  0.699  1.0
  O  O18  1  0.750  0.362  0.929  1.0
  O  O19  1  0.750  0.399  0.458  1.0
  O  O20  1  0.250  0.601  0.542  1.0
  O  O21  1  0.250  0.638  0.071  1.0
  O  O22  1  0.750  0.606  0.301  1.0
  O  O23  1  0.750  0.647  0.746  1.0
  O  O24  1  0.250  0.853  0.246  1.0
  O  O25  1  0.250  0.894  0.801  1.0
  O  O26  1  0.750  0.862  0.571  1.0
  O  O27  1  0.750  0.899  0.042  1.0
[/CIF]
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The compound described by LiCrAlO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. Al(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form AlO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1) and three equivalent Al(1) atoms to form OAl3Cr trigonal pyramids that share  a cornercorner with one O(4)Li2AlCr2 trigonal bipyramid, corners with two equivalent O(1)Al3Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 trigonal bipyramids, and edges with two equivalent O(1)Al3Cr trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Al(1) atom to form distorted OLi2AlCr2 trigonal bipyramids that share  a cornercorner with one O(1)Al3Cr trigonal pyramid, edges with two equivalent O(4)Li2AlCr2 trigonal bipyramids, and edges with two equivalent O(1)Al3Cr trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.882
_cell_length_b   9.299
_cell_length_c   10.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.743
_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  0.250  0.100  0.619  1.0
  Li  Li1  1  0.750  0.400  0.119  1.0
  Li  Li2  1  0.250  0.600  0.881  1.0
  Li  Li3  1  0.750  0.900  0.381  1.0
  Al  Al4  1  0.250  0.008  0.124  1.0
  Al  Al5  1  0.750  0.492  0.624  1.0
  Al  Al6  1  0.250  0.508  0.376  1.0
  Al  Al7  1  0.750  0.992  0.876  1.0
  Cr  Cr8  1  0.750  0.230  0.342  1.0
  Cr  Cr9  1  0.250  0.270  0.842  1.0
  Cr  Cr10  1  0.750  0.730  0.158  1.0
  Cr  Cr11  1  0.250  0.770  0.658  1.0
  O  O12  1  0.250  0.101  0.958  1.0
  O  O13  1  0.250  0.138  0.429  1.0
  O  O14  1  0.750  0.106  0.199  1.0
  O  O15  1  0.750  0.147  0.754  1.0
  O  O16  1  0.250  0.353  0.254  1.0
  O  O17  1  0.250  0.394  0.699  1.0
  O  O18  1  0.750  0.362  0.929  1.0
  O  O19  1  0.750  0.399  0.458  1.0
  O  O20  1  0.250  0.601  0.542  1.0
  O  O21  1  0.250  0.638  0.071  1.0
  O  O22  1  0.750  0.606  0.301  1.0
  O  O23  1  0.750  0.647  0.746  1.0
  O  O24  1  0.250  0.853  0.246  1.0
  O  O25  1  0.250  0.894  0.801  1.0
  O  O26  1  0.750  0.862  0.571  1.0
  O  O27  1  0.750  0.899  0.042  1.0
[/CIF]
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