The structure described by LiCrAlO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), 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 25-53°. 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 25-53°. 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 square pyramid, corners with two equivalent O(1)Al3Cr trigonal pyramids, corners with five equivalent O(3)LiAl2Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids,  an edgeedge with one O(3)LiAl2Cr trigonal pyramid, and edges with two equivalent O(1)Al3Cr trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Cr(1), and two equivalent Al(1) atoms to form distorted OLiAl2Cr trigonal pyramids that share corners with two equivalent O(4)Li2AlCr2 square pyramids, corners with two equivalent O(3)LiAl2Cr trigonal pyramids, corners with five equivalent O(1)Al3Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids, and  an edgeedge with one O(1)Al3Cr trigonal pyramid. 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 OLi2AlCr2 square pyramids that share  a cornercorner with one O(1)Al3Cr trigonal pyramid, corners with two equivalent O(3)LiAl2Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids, edges with two equivalent O(1)Al3Cr trigonal pyramids, and edges with two equivalent O(3)LiAl2Cr trigonal pyramids. is represented by the CIF card [CIF]
data_LiAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.892
_cell_length_b   10.188
_cell_length_c   9.319
_cell_angle_alpha   90.008
_cell_angle_beta   90.009
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   274.543
_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  0.254  0.621  0.091  1.0
  Li  Li1  1  0.747  0.121  0.409  1.0
  Li  Li2  1  0.247  0.879  0.591  1.0
  Li  Li3  1  0.754  0.379  0.909  1.0
  Al  Al4  1  0.256  0.125  0.006  1.0
  Al  Al5  1  0.744  0.625  0.494  1.0
  Al  Al6  1  0.244  0.375  0.506  1.0
  Al  Al7  1  0.756  0.875  0.994  1.0
  Cr  Cr8  1  0.767  0.155  0.728  1.0
  Cr  Cr9  1  0.232  0.655  0.772  1.0
  Cr  Cr10  1  0.732  0.345  0.228  1.0
  Cr  Cr11  1  0.268  0.845  0.272  1.0
  O  O12  1  0.254  0.960  0.102  1.0
  O  O13  1  0.746  0.460  0.398  1.0
  O  O14  1  0.245  0.540  0.602  1.0
  O  O15  1  0.754  0.040  0.898  1.0
  O  O16  1  0.268  0.432  0.135  1.0
  O  O17  1  0.731  0.932  0.366  1.0
  O  O18  1  0.231  0.068  0.634  1.0
  O  O19  1  0.768  0.568  0.865  1.0
  O  O20  1  0.758  0.203  0.101  1.0
  O  O21  1  0.242  0.703  0.399  1.0
  O  O22  1  0.742  0.297  0.601  1.0
  O  O23  1  0.258  0.797  0.899  1.0
  O  O24  1  0.762  0.755  0.152  1.0
  O  O25  1  0.238  0.255  0.348  1.0
  O  O26  1  0.738  0.745  0.652  1.0
  O  O27  1  0.262  0.245  0.848  1.0
[/CIF]
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The structure described by LiCrAlO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), 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 25-53°. 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 25-53°. 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 square pyramid, corners with two equivalent O(1)Al3Cr trigonal pyramids, corners with five equivalent O(3)LiAl2Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids,  an edgeedge with one O(3)LiAl2Cr trigonal pyramid, and edges with two equivalent O(1)Al3Cr trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Cr(1), and two equivalent Al(1) atoms to form distorted OLiAl2Cr trigonal pyramids that share corners with two equivalent O(4)Li2AlCr2 square pyramids, corners with two equivalent O(3)LiAl2Cr trigonal pyramids, corners with five equivalent O(1)Al3Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids, and  an edgeedge with one O(1)Al3Cr trigonal pyramid. 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 OLi2AlCr2 square pyramids that share  a cornercorner with one O(1)Al3Cr trigonal pyramid, corners with two equivalent O(3)LiAl2Cr trigonal pyramids, edges with two equivalent O(4)Li2AlCr2 square pyramids, edges with two equivalent O(1)Al3Cr trigonal pyramids, and edges with two equivalent O(3)LiAl2Cr trigonal pyramids. is represented by the CIF card [CIF]
data_LiAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.892
_cell_length_b   10.188
_cell_length_c   9.319
_cell_angle_alpha   90.008
_cell_angle_beta   90.009
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   274.543
_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  0.254  0.621  0.091  1.0
  Li  Li1  1  0.747  0.121  0.409  1.0
  Li  Li2  1  0.247  0.879  0.591  1.0
  Li  Li3  1  0.754  0.379  0.909  1.0
  Al  Al4  1  0.256  0.125  0.006  1.0
  Al  Al5  1  0.744  0.625  0.494  1.0
  Al  Al6  1  0.244  0.375  0.506  1.0
  Al  Al7  1  0.756  0.875  0.994  1.0
  Cr  Cr8  1  0.767  0.155  0.728  1.0
  Cr  Cr9  1  0.232  0.655  0.772  1.0
  Cr  Cr10  1  0.732  0.345  0.228  1.0
  Cr  Cr11  1  0.268  0.845  0.272  1.0
  O  O12  1  0.254  0.960  0.102  1.0
  O  O13  1  0.746  0.460  0.398  1.0
  O  O14  1  0.245  0.540  0.602  1.0
  O  O15  1  0.754  0.040  0.898  1.0
  O  O16  1  0.268  0.432  0.135  1.0
  O  O17  1  0.731  0.932  0.366  1.0
  O  O18  1  0.231  0.068  0.634  1.0
  O  O19  1  0.768  0.568  0.865  1.0
  O  O20  1  0.758  0.203  0.101  1.0
  O  O21  1  0.242  0.703  0.399  1.0
  O  O22  1  0.742  0.297  0.601  1.0
  O  O23  1  0.258  0.797  0.899  1.0
  O  O24  1  0.762  0.755  0.152  1.0
  O  O25  1  0.238  0.255  0.348  1.0
  O  O26  1  0.738  0.745  0.652  1.0
  O  O27  1  0.262  0.245  0.848  1.0
[/CIF]
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