The material described by Li4Sc3In(SiO3)8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(13), one O(15), one O(18), and one O(19) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(17), and one O(20) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(22), one O(23), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(21), and one O(24) atom. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(12), one O(18), one O(19), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. In the second Sc site, Sc(2) is bonded to one O(13), one O(15), one O(18), one O(19), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In the third Sc site, Sc(3) is bonded to one O(14), one O(16), one O(17), one O(20), one O(22), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to one O(11), one O(17), one O(20), one O(22), one O(23), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(17), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and corners with two equivalent Si(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the second Si site, Si(2) is bonded to one O(10), one O(18), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. In the third Si site, Si(3) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(20), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. In the sixth Si site, Si(6) is bonded to one O(14), one O(22), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the seventh Si site, Si(7) is bonded to one O(1), one O(15), one O(23), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the eighth Si site, Si(8) is bonded to one O(16), one O(2), one O(24), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Sc(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(2), one Sc(3), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(4) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Sc(1), one Sc(2), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLiSc2Si trigonal pyramids. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Sc(3), one In(1), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Sc(3), one In(1), and one Si(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Sc(1), one Sc(2), and one Si(8) atom to form a mixture of distorted corner and edge-sharing OLiSc2Si trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Sc3In(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   6.741
_cell_length_c   13.170
_cell_angle_alpha   89.143
_cell_angle_beta   98.495
_cell_angle_gamma   104.950
_symmetry_Int_Tables_number   1
_cell_volume   459.979
_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  0.124  0.748  0.874  1.0
  Li  Li1  1  0.624  0.747  0.374  1.0
  Li  Li2  1  0.376  0.253  0.627  1.0
  Li  Li3  1  0.876  0.252  0.126  1.0
  Sc  Sc4  1  0.304  0.108  0.054  1.0
  Sc  Sc5  1  0.696  0.892  0.946  1.0
  Sc  Sc6  1  0.195  0.891  0.445  1.0
  In  In7  1  0.802  0.105  0.553  1.0
  Si  Si8  1  0.830  0.615  0.607  1.0
  Si  Si9  1  0.329  0.615  0.106  1.0
  Si  Si10  1  0.085  0.213  0.808  1.0
  Si  Si11  1  0.584  0.213  0.307  1.0
  Si  Si12  1  0.671  0.385  0.894  1.0
  Si  Si13  1  0.172  0.386  0.393  1.0
  Si  Si14  1  0.415  0.787  0.693  1.0
  Si  Si15  1  0.916  0.788  0.193  1.0
  O  O16  1  0.119  0.638  0.673  1.0
  O  O17  1  0.618  0.638  0.173  1.0
  O  O18  1  0.873  0.346  0.819  1.0
  O  O19  1  0.374  0.347  0.319  1.0
  O  O20  1  0.382  0.363  0.828  1.0
  O  O21  1  0.881  0.362  0.327  1.0
  O  O22  1  0.628  0.656  0.681  1.0
  O  O23  1  0.127  0.654  0.181  1.0
  O  O24  1  0.705  0.385  0.562  1.0
  O  O25  1  0.215  0.380  0.063  1.0
  O  O26  1  0.049  0.123  0.693  1.0
  O  O27  1  0.538  0.126  0.190  1.0
  O  O28  1  0.785  0.620  0.937  1.0
  O  O29  1  0.285  0.620  0.437  1.0
  O  O30  1  0.463  0.874  0.810  1.0
  O  O31  1  0.962  0.874  0.310  1.0
  O  O32  1  0.862  0.793  0.518  1.0
  O  O33  1  0.362  0.795  0.019  1.0
  O  O34  1  0.055  0.038  0.898  1.0
  O  O35  1  0.552  0.035  0.395  1.0
  O  O36  1  0.639  0.205  0.981  1.0
  O  O37  1  0.146  0.205  0.480  1.0
  O  O38  1  0.436  0.961  0.603  1.0
  O  O39  1  0.946  0.963  0.103  1.0
[/CIF]
.
The material described by Li4Sc3In(SiO3)8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(13), one O(15), one O(18), and one O(19) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(17), and one O(20) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(22), one O(23), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(21), and one O(24) atom. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(12), one O(18), one O(19), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. In the second Sc site, Sc(2) is bonded to one O(13), one O(15), one O(18), one O(19), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In the third Sc site, Sc(3) is bonded to one O(14), one O(16), one O(17), one O(20), one O(22), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In(1) is bonded to one O(11), one O(17), one O(20), one O(22), one O(23), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(17), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and corners with two equivalent Si(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the second Si site, Si(2) is bonded to one O(10), one O(18), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, and corners with two equivalent Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. In the third Si site, Si(3) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(20), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-61°. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. In the sixth Si site, Si(6) is bonded to one O(14), one O(22), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the seventh Si site, Si(7) is bonded to one O(1), one O(15), one O(23), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the eighth Si site, Si(8) is bonded to one O(16), one O(2), one O(24), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Sc(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(2), one Sc(3), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(4) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Sc(1), one Sc(2), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLiSc2Si trigonal pyramids. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Sc(3), one In(1), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Sc(3), one In(1), and one Si(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Sc(1), one Sc(2), and one Si(8) atom to form a mixture of distorted corner and edge-sharing OLiSc2Si trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Sc3In(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   6.741
_cell_length_c   13.170
_cell_angle_alpha   89.143
_cell_angle_beta   98.495
_cell_angle_gamma   104.950
_symmetry_Int_Tables_number   1
_cell_volume   459.979
_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  0.124  0.748  0.874  1.0
  Li  Li1  1  0.624  0.747  0.374  1.0
  Li  Li2  1  0.376  0.253  0.627  1.0
  Li  Li3  1  0.876  0.252  0.126  1.0
  Sc  Sc4  1  0.304  0.108  0.054  1.0
  Sc  Sc5  1  0.696  0.892  0.946  1.0
  Sc  Sc6  1  0.195  0.891  0.445  1.0
  In  In7  1  0.802  0.105  0.553  1.0
  Si  Si8  1  0.830  0.615  0.607  1.0
  Si  Si9  1  0.329  0.615  0.106  1.0
  Si  Si10  1  0.085  0.213  0.808  1.0
  Si  Si11  1  0.584  0.213  0.307  1.0
  Si  Si12  1  0.671  0.385  0.894  1.0
  Si  Si13  1  0.172  0.386  0.393  1.0
  Si  Si14  1  0.415  0.787  0.693  1.0
  Si  Si15  1  0.916  0.788  0.193  1.0
  O  O16  1  0.119  0.638  0.673  1.0
  O  O17  1  0.618  0.638  0.173  1.0
  O  O18  1  0.873  0.346  0.819  1.0
  O  O19  1  0.374  0.347  0.319  1.0
  O  O20  1  0.382  0.363  0.828  1.0
  O  O21  1  0.881  0.362  0.327  1.0
  O  O22  1  0.628  0.656  0.681  1.0
  O  O23  1  0.127  0.654  0.181  1.0
  O  O24  1  0.705  0.385  0.562  1.0
  O  O25  1  0.215  0.380  0.063  1.0
  O  O26  1  0.049  0.123  0.693  1.0
  O  O27  1  0.538  0.126  0.190  1.0
  O  O28  1  0.785  0.620  0.937  1.0
  O  O29  1  0.285  0.620  0.437  1.0
  O  O30  1  0.463  0.874  0.810  1.0
  O  O31  1  0.962  0.874  0.310  1.0
  O  O32  1  0.862  0.793  0.518  1.0
  O  O33  1  0.362  0.795  0.019  1.0
  O  O34  1  0.055  0.038  0.898  1.0
  O  O35  1  0.552  0.035  0.395  1.0
  O  O36  1  0.639  0.205  0.981  1.0
  O  O37  1  0.146  0.205  0.480  1.0
  O  O38  1  0.436  0.961  0.603  1.0
  O  O39  1  0.946  0.963  0.103  1.0
[/CIF]
.