The compound described by LiScSi2O6 is Esseneite structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Sc(1) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the second Si site, Si(2) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(1), and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Sc(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Sc(1), and one Si(2) atom to form distorted corner-sharing OLiSc2Si trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSc(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.408
_cell_length_b   6.712
_cell_length_c   6.712
_cell_angle_alpha   84.755
_cell_angle_beta   75.088
_cell_angle_gamma   75.088
_symmetry_Int_Tables_number   1
_cell_volume   227.402
_cell_formula_units_Z   2
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  0.754  0.746  1.0
  Li  Li1  1  0.750  0.246  0.254  1.0
  O  O2  1  0.155  0.120  0.123  1.0
  O  O3  1  0.556  0.139  0.652  1.0
  O  O4  1  0.056  0.152  0.639  1.0
  O  O5  1  0.655  0.623  0.620  1.0
  O  O6  1  0.944  0.848  0.361  1.0
  O  O7  1  0.444  0.861  0.348  1.0
  O  O8  1  0.658  0.295  0.963  1.0
  O  O9  1  0.842  0.537  0.205  1.0
  O  O10  1  0.342  0.705  0.037  1.0
  O  O11  1  0.845  0.880  0.877  1.0
  O  O12  1  0.345  0.377  0.380  1.0
  O  O13  1  0.158  0.463  0.795  1.0
  Sc  Sc14  1  0.750  0.606  0.894  1.0
  Sc  Sc15  1  0.250  0.394  0.106  1.0
  Si  Si16  1  0.777  0.115  0.788  1.0
  Si  Si17  1  0.223  0.885  0.212  1.0
  Si  Si18  1  0.723  0.712  0.385  1.0
  Si  Si19  1  0.277  0.288  0.615  1.0
[/CIF]
.
The compound described by LiScSi2O6 is Esseneite structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Sc(1) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the second Si site, Si(2) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(1), and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Sc(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Sc(1), and one Si(2) atom to form distorted corner-sharing OLiSc2Si trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSc(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.408
_cell_length_b   6.712
_cell_length_c   6.712
_cell_angle_alpha   84.755
_cell_angle_beta   75.088
_cell_angle_gamma   75.088
_symmetry_Int_Tables_number   1
_cell_volume   227.402
_cell_formula_units_Z   2
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  0.754  0.746  1.0
  Li  Li1  1  0.750  0.246  0.254  1.0
  O  O2  1  0.155  0.120  0.123  1.0
  O  O3  1  0.556  0.139  0.652  1.0
  O  O4  1  0.056  0.152  0.639  1.0
  O  O5  1  0.655  0.623  0.620  1.0
  O  O6  1  0.944  0.848  0.361  1.0
  O  O7  1  0.444  0.861  0.348  1.0
  O  O8  1  0.658  0.295  0.963  1.0
  O  O9  1  0.842  0.537  0.205  1.0
  O  O10  1  0.342  0.705  0.037  1.0
  O  O11  1  0.845  0.880  0.877  1.0
  O  O12  1  0.345  0.377  0.380  1.0
  O  O13  1  0.158  0.463  0.795  1.0
  Sc  Sc14  1  0.750  0.606  0.894  1.0
  Sc  Sc15  1  0.250  0.394  0.106  1.0
  Si  Si16  1  0.777  0.115  0.788  1.0
  Si  Si17  1  0.223  0.885  0.212  1.0
  Si  Si18  1  0.723  0.712  0.385  1.0
  Si  Si19  1  0.277  0.288  0.615  1.0
[/CIF]
.