The structure described by LiVAlO4 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. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. 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 V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one V(1) and three equivalent Al(1) atoms to form OAl3V trigonal pyramids that share  a cornercorner with one O(4)Li2AlV2 square pyramid, corners with two equivalent O(1)Al3V trigonal pyramids, edges with two equivalent O(4)Li2AlV2 square pyramids, and edges with two equivalent O(1)Al3V trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent V(1), and one Al(1) atom to form distorted OLi2AlV2 square pyramids that share  a cornercorner with one O(1)Al3V trigonal pyramid, edges with two equivalent O(4)Li2AlV2 square pyramids, and edges with two equivalent O(1)Al3V trigonal pyramids. is represented by the CIF card [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.916
_cell_length_b   9.436
_cell_length_c   10.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.648
_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  0.593  0.121  1.0
  Li  Li1  1  0.750  0.907  0.621  1.0
  Li  Li2  1  0.250  0.093  0.379  1.0
  Li  Li3  1  0.750  0.407  0.879  1.0
  Al  Al4  1  0.250  0.505  0.624  1.0
  Al  Al5  1  0.750  0.995  0.124  1.0
  Al  Al6  1  0.250  0.005  0.876  1.0
  Al  Al7  1  0.750  0.495  0.376  1.0
  V  V8  1  0.750  0.729  0.843  1.0
  V  V9  1  0.250  0.771  0.343  1.0
  V  V10  1  0.750  0.229  0.657  1.0
  V  V11  1  0.250  0.271  0.157  1.0
  O  O12  1  0.250  0.601  0.460  1.0
  O  O13  1  0.250  0.641  0.936  1.0
  O  O14  1  0.750  0.603  0.703  1.0
  O  O15  1  0.750  0.648  0.254  1.0
  O  O16  1  0.250  0.852  0.754  1.0
  O  O17  1  0.250  0.897  0.203  1.0
  O  O18  1  0.750  0.859  0.436  1.0
  O  O19  1  0.750  0.899  0.960  1.0
  O  O20  1  0.250  0.101  0.040  1.0
  O  O21  1  0.250  0.141  0.564  1.0
  O  O22  1  0.750  0.103  0.797  1.0
  O  O23  1  0.750  0.148  0.246  1.0
  O  O24  1  0.250  0.352  0.746  1.0
  O  O25  1  0.250  0.397  0.297  1.0
  O  O26  1  0.750  0.359  0.064  1.0
  O  O27  1  0.750  0.399  0.540  1.0
[/CIF]
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The structure described by LiVAlO4 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. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. 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 V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one V(1) and three equivalent Al(1) atoms to form OAl3V trigonal pyramids that share  a cornercorner with one O(4)Li2AlV2 square pyramid, corners with two equivalent O(1)Al3V trigonal pyramids, edges with two equivalent O(4)Li2AlV2 square pyramids, and edges with two equivalent O(1)Al3V trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent V(1), and one Al(1) atom to form distorted OLi2AlV2 square pyramids that share  a cornercorner with one O(1)Al3V trigonal pyramid, edges with two equivalent O(4)Li2AlV2 square pyramids, and edges with two equivalent O(1)Al3V trigonal pyramids. is represented by the CIF card [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.916
_cell_length_b   9.436
_cell_length_c   10.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.648
_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  0.593  0.121  1.0
  Li  Li1  1  0.750  0.907  0.621  1.0
  Li  Li2  1  0.250  0.093  0.379  1.0
  Li  Li3  1  0.750  0.407  0.879  1.0
  Al  Al4  1  0.250  0.505  0.624  1.0
  Al  Al5  1  0.750  0.995  0.124  1.0
  Al  Al6  1  0.250  0.005  0.876  1.0
  Al  Al7  1  0.750  0.495  0.376  1.0
  V  V8  1  0.750  0.729  0.843  1.0
  V  V9  1  0.250  0.771  0.343  1.0
  V  V10  1  0.750  0.229  0.657  1.0
  V  V11  1  0.250  0.271  0.157  1.0
  O  O12  1  0.250  0.601  0.460  1.0
  O  O13  1  0.250  0.641  0.936  1.0
  O  O14  1  0.750  0.603  0.703  1.0
  O  O15  1  0.750  0.648  0.254  1.0
  O  O16  1  0.250  0.852  0.754  1.0
  O  O17  1  0.250  0.897  0.203  1.0
  O  O18  1  0.750  0.859  0.436  1.0
  O  O19  1  0.750  0.899  0.960  1.0
  O  O20  1  0.250  0.101  0.040  1.0
  O  O21  1  0.250  0.141  0.564  1.0
  O  O22  1  0.750  0.103  0.797  1.0
  O  O23  1  0.750  0.148  0.246  1.0
  O  O24  1  0.250  0.352  0.746  1.0
  O  O25  1  0.250  0.397  0.297  1.0
  O  O26  1  0.750  0.359  0.064  1.0
  O  O27  1  0.750  0.399  0.540  1.0
[/CIF]
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