The material described by LiScAs2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ScO6 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 Sc(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sc(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent As(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Sc(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiScAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   5.545
_cell_length_c   5.545
_cell_angle_alpha   76.914
_cell_angle_beta   81.375
_cell_angle_gamma   98.625
_symmetry_Int_Tables_number   1
_cell_volume   143.024
_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  0.000  0.249  0.249  1.0
  Sc  Sc1  1  0.000  0.629  0.629  1.0
  As  As2  1  0.409  0.180  0.746  1.0
  As  As3  1  0.591  0.746  0.180  1.0
  O  O4  1  0.721  0.334  0.556  1.0
  O  O5  1  0.249  0.965  0.614  1.0
  O  O6  1  0.500  0.036  0.036  1.0
  O  O7  1  0.814  0.859  0.355  1.0
  O  O8  1  0.186  0.355  0.859  1.0
  O  O9  1  0.279  0.556  0.334  1.0
  O  O10  1  0.751  0.614  0.965  1.0
[/CIF]
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The material described by LiScAs2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ScO6 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 Sc(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sc(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent As(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Sc(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiScAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   5.545
_cell_length_c   5.545
_cell_angle_alpha   76.914
_cell_angle_beta   81.375
_cell_angle_gamma   98.625
_symmetry_Int_Tables_number   1
_cell_volume   143.024
_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  0.000  0.249  0.249  1.0
  Sc  Sc1  1  0.000  0.629  0.629  1.0
  As  As2  1  0.409  0.180  0.746  1.0
  As  As3  1  0.591  0.746  0.180  1.0
  O  O4  1  0.721  0.334  0.556  1.0
  O  O5  1  0.249  0.965  0.614  1.0
  O  O6  1  0.500  0.036  0.036  1.0
  O  O7  1  0.814  0.859  0.355  1.0
  O  O8  1  0.186  0.355  0.859  1.0
  O  O9  1  0.279  0.556  0.334  1.0
  O  O10  1  0.751  0.614  0.965  1.0
[/CIF]
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