The material structure described by LiMgAsO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. Mg(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-63°. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mg(1), and one As(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mg(1), and one As(1) atom to form distorted corner-sharing OLi2MgAs trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mg(1), and one As(1) atom. is represented by the CIF file [CIF]
data_LiMgAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.947
_cell_length_b   6.051
_cell_length_c   10.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.644
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mg  Mg4  1  0.006  0.750  0.275  1.0
  Mg  Mg5  1  0.994  0.250  0.725  1.0
  Mg  Mg6  1  0.494  0.750  0.775  1.0
  Mg  Mg7  1  0.506  0.250  0.225  1.0
  As  As8  1  0.065  0.250  0.406  1.0
  As  As9  1  0.435  0.250  0.906  1.0
  As  As10  1  0.935  0.750  0.594  1.0
  As  As11  1  0.565  0.750  0.094  1.0
  O  O12  1  0.778  0.531  0.671  1.0
  O  O13  1  0.222  0.469  0.329  1.0
  O  O14  1  0.722  0.531  0.171  1.0
  O  O15  1  0.778  0.969  0.671  1.0
  O  O16  1  0.278  0.031  0.829  1.0
  O  O17  1  0.780  0.250  0.902  1.0
  O  O18  1  0.278  0.469  0.829  1.0
  O  O19  1  0.222  0.031  0.329  1.0
  O  O20  1  0.220  0.750  0.098  1.0
  O  O21  1  0.720  0.250  0.402  1.0
  O  O22  1  0.796  0.750  0.445  1.0
  O  O23  1  0.280  0.750  0.598  1.0
  O  O24  1  0.704  0.750  0.945  1.0
  O  O25  1  0.296  0.250  0.055  1.0
  O  O26  1  0.204  0.250  0.555  1.0
  O  O27  1  0.722  0.969  0.171  1.0
[/CIF]
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The material structure described by LiMgAsO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. Mg(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-63°. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mg(1), and one As(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mg(1), and one As(1) atom to form distorted corner-sharing OLi2MgAs trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mg(1), and one As(1) atom. is represented by the CIF file [CIF]
data_LiMgAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.947
_cell_length_b   6.051
_cell_length_c   10.579
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.644
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mg  Mg4  1  0.006  0.750  0.275  1.0
  Mg  Mg5  1  0.994  0.250  0.725  1.0
  Mg  Mg6  1  0.494  0.750  0.775  1.0
  Mg  Mg7  1  0.506  0.250  0.225  1.0
  As  As8  1  0.065  0.250  0.406  1.0
  As  As9  1  0.435  0.250  0.906  1.0
  As  As10  1  0.935  0.750  0.594  1.0
  As  As11  1  0.565  0.750  0.094  1.0
  O  O12  1  0.778  0.531  0.671  1.0
  O  O13  1  0.222  0.469  0.329  1.0
  O  O14  1  0.722  0.531  0.171  1.0
  O  O15  1  0.778  0.969  0.671  1.0
  O  O16  1  0.278  0.031  0.829  1.0
  O  O17  1  0.780  0.250  0.902  1.0
  O  O18  1  0.278  0.469  0.829  1.0
  O  O19  1  0.222  0.031  0.329  1.0
  O  O20  1  0.220  0.750  0.098  1.0
  O  O21  1  0.720  0.250  0.402  1.0
  O  O22  1  0.796  0.750  0.445  1.0
  O  O23  1  0.280  0.750  0.598  1.0
  O  O24  1  0.704  0.750  0.945  1.0
  O  O25  1  0.296  0.250  0.055  1.0
  O  O26  1  0.204  0.250  0.555  1.0
  O  O27  1  0.722  0.969  0.171  1.0
[/CIF]
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