The crystal structure described by Na4Sc3In(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form ScO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In the third Sc site, Sc(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one In(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(4), one Sc(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Sc(1), one Sc(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Sc(2), one In(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(4), one Sc(1), one Sc(3), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Sc(2), one In(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), one Si(2), and one Si(4) atom. is represented by the CIF card [CIF]
data_Na4Sc3In(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.180
_cell_length_b   5.413
_cell_length_c   9.855
_cell_angle_alpha   75.667
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.548
_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
  Na  Na0  1  0.804  0.500  0.500  1.0
  Na  Na1  1  0.303  0.000  0.000  1.0
  Na  Na2  1  0.197  0.000  0.500  1.0
  Na  Na3  1  0.697  0.500  0.000  1.0
  Sc  Sc4  1  0.894  0.000  0.000  1.0
  Sc  Sc5  1  0.608  0.000  0.500  1.0
  Sc  Sc6  1  0.106  0.500  0.000  1.0
  In  In7  1  0.396  0.500  0.500  1.0
  Si  Si8  1  0.085  0.704  0.290  1.0
  Si  Si9  1  0.587  0.202  0.792  1.0
  Si  Si10  1  0.085  0.296  0.710  1.0
  Si  Si11  1  0.587  0.798  0.208  1.0
  Si  Si12  1  0.913  0.797  0.710  1.0
  Si  Si13  1  0.413  0.297  0.209  1.0
  Si  Si14  1  0.913  0.203  0.290  1.0
  Si  Si15  1  0.413  0.703  0.791  1.0
  O  O16  1  0.245  0.708  0.355  1.0
  O  O17  1  0.747  0.197  0.861  1.0
  O  O18  1  0.245  0.292  0.645  1.0
  O  O19  1  0.747  0.803  0.139  1.0
  O  O20  1  0.754  0.803  0.640  1.0
  O  O21  1  0.253  0.304  0.139  1.0
  O  O22  1  0.754  0.197  0.360  1.0
  O  O23  1  0.253  0.696  0.861  1.0
  O  O24  1  0.077  0.776  0.118  1.0
  O  O25  1  0.582  0.275  0.619  1.0
  O  O26  1  0.077  0.224  0.882  1.0
  O  O27  1  0.582  0.725  0.381  1.0
  O  O28  1  0.921  0.723  0.882  1.0
  O  O29  1  0.422  0.215  0.380  1.0
  O  O30  1  0.921  0.277  0.118  1.0
  O  O31  1  0.422  0.785  0.620  1.0
  O  O32  1  0.007  0.419  0.349  1.0
  O  O33  1  0.508  0.919  0.850  1.0
  O  O34  1  0.007  0.581  0.651  1.0
  O  O35  1  0.508  0.081  0.150  1.0
  O  O36  1  0.991  0.081  0.651  1.0
  O  O37  1  0.492  0.581  0.151  1.0
  O  O38  1  0.991  0.919  0.349  1.0
  O  O39  1  0.492  0.419  0.849  1.0
[/CIF]
.
The crystal structure described by Na4Sc3In(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Sc(3)O6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form ScO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. In the third Sc site, Sc(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one In(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(4), one Sc(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Sc(1), one Sc(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Sc(2), one In(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(4), one Sc(1), one Sc(3), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(3), one Sc(2), one In(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Na(2), one Na(4), one Si(2), and one Si(4) atom. is represented by the CIF card [CIF]
data_Na4Sc3In(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.180
_cell_length_b   5.413
_cell_length_c   9.855
_cell_angle_alpha   75.667
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.548
_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
  Na  Na0  1  0.804  0.500  0.500  1.0
  Na  Na1  1  0.303  0.000  0.000  1.0
  Na  Na2  1  0.197  0.000  0.500  1.0
  Na  Na3  1  0.697  0.500  0.000  1.0
  Sc  Sc4  1  0.894  0.000  0.000  1.0
  Sc  Sc5  1  0.608  0.000  0.500  1.0
  Sc  Sc6  1  0.106  0.500  0.000  1.0
  In  In7  1  0.396  0.500  0.500  1.0
  Si  Si8  1  0.085  0.704  0.290  1.0
  Si  Si9  1  0.587  0.202  0.792  1.0
  Si  Si10  1  0.085  0.296  0.710  1.0
  Si  Si11  1  0.587  0.798  0.208  1.0
  Si  Si12  1  0.913  0.797  0.710  1.0
  Si  Si13  1  0.413  0.297  0.209  1.0
  Si  Si14  1  0.913  0.203  0.290  1.0
  Si  Si15  1  0.413  0.703  0.791  1.0
  O  O16  1  0.245  0.708  0.355  1.0
  O  O17  1  0.747  0.197  0.861  1.0
  O  O18  1  0.245  0.292  0.645  1.0
  O  O19  1  0.747  0.803  0.139  1.0
  O  O20  1  0.754  0.803  0.640  1.0
  O  O21  1  0.253  0.304  0.139  1.0
  O  O22  1  0.754  0.197  0.360  1.0
  O  O23  1  0.253  0.696  0.861  1.0
  O  O24  1  0.077  0.776  0.118  1.0
  O  O25  1  0.582  0.275  0.619  1.0
  O  O26  1  0.077  0.224  0.882  1.0
  O  O27  1  0.582  0.725  0.381  1.0
  O  O28  1  0.921  0.723  0.882  1.0
  O  O29  1  0.422  0.215  0.380  1.0
  O  O30  1  0.921  0.277  0.118  1.0
  O  O31  1  0.422  0.785  0.620  1.0
  O  O32  1  0.007  0.419  0.349  1.0
  O  O33  1  0.508  0.919  0.850  1.0
  O  O34  1  0.007  0.581  0.651  1.0
  O  O35  1  0.508  0.081  0.150  1.0
  O  O36  1  0.991  0.081  0.651  1.0
  O  O37  1  0.492  0.581  0.151  1.0
  O  O38  1  0.991  0.919  0.349  1.0
  O  O39  1  0.492  0.419  0.849  1.0
[/CIF]
.