The material described by LiGaAs2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ga(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ga(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ga(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_LiGaAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.366
_cell_length_c   4.775
_cell_angle_alpha   81.214
_cell_angle_beta   81.214
_cell_angle_gamma   102.057
_symmetry_Int_Tables_number   1
_cell_volume   130.451
_cell_formula_units_Z   1
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  0.249  0.751  0.500  1.0
  Ga  Ga1  1  0.625  0.375  0.500  1.0
  As  As2  1  0.180  0.253  0.094  1.0
  As  As3  1  0.747  0.820  0.906  1.0
  O  O4  1  0.359  0.142  0.332  1.0
  O  O5  1  0.858  0.641  0.668  1.0
  O  O6  1  0.611  0.054  0.761  1.0
  O  O7  1  0.946  0.389  0.239  1.0
  O  O8  1  0.548  0.662  0.228  1.0
  O  O9  1  0.338  0.452  0.772  1.0
  O  O10  1  0.050  0.950  0.000  1.0
[/CIF]
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The material described by LiGaAs2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ga(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ga(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ga(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_LiGaAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.366
_cell_length_c   4.775
_cell_angle_alpha   81.214
_cell_angle_beta   81.214
_cell_angle_gamma   102.057
_symmetry_Int_Tables_number   1
_cell_volume   130.451
_cell_formula_units_Z   1
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  0.249  0.751  0.500  1.0
  Ga  Ga1  1  0.625  0.375  0.500  1.0
  As  As2  1  0.180  0.253  0.094  1.0
  As  As3  1  0.747  0.820  0.906  1.0
  O  O4  1  0.359  0.142  0.332  1.0
  O  O5  1  0.858  0.641  0.668  1.0
  O  O6  1  0.611  0.054  0.761  1.0
  O  O7  1  0.946  0.389  0.239  1.0
  O  O8  1  0.548  0.662  0.228  1.0
  O  O9  1  0.338  0.452  0.772  1.0
  O  O10  1  0.050  0.950  0.000  1.0
[/CIF]
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