The material structure described by Na4TaIn(SiO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Ta(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one In(1), and one Si(1) atom to form distorted face-sharing ONa3InSi trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Ta(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one In(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4TaIn(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.181
_cell_length_b   9.181
_cell_length_c   9.181
_cell_angle_alpha   60.241
_cell_angle_beta   60.241
_cell_angle_gamma   60.241
_symmetry_Int_Tables_number   1
_cell_volume   550.192
_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
  In  In0  1  0.350  0.350  0.350  1.0
  In  In1  1  0.850  0.850  0.850  1.0
  Na  Na2  1  0.887  0.621  0.233  1.0
  Na  Na3  1  0.621  0.233  0.887  1.0
  Na  Na4  1  0.233  0.887  0.621  1.0
  Na  Na5  1  0.387  0.733  0.121  1.0
  Na  Na6  1  0.733  0.121  0.387  1.0
  Na  Na7  1  0.121  0.387  0.733  1.0
  Na  Na8  1  0.495  0.495  0.495  1.0
  Na  Na9  1  0.995  0.995  0.995  1.0
  O  O10  1  0.530  0.124  0.278  1.0
  O  O11  1  0.124  0.278  0.530  1.0
  O  O12  1  0.278  0.530  0.124  1.0
  O  O13  1  0.030  0.778  0.624  1.0
  O  O14  1  0.778  0.624  0.030  1.0
  O  O15  1  0.624  0.030  0.778  1.0
  O  O16  1  0.497  0.859  0.724  1.0
  O  O17  1  0.859  0.724  0.497  1.0
  O  O18  1  0.724  0.497  0.859  1.0
  O  O19  1  0.997  0.224  0.359  1.0
  O  O20  1  0.224  0.359  0.997  1.0
  O  O21  1  0.359  0.997  0.224  1.0
  O  O22  1  0.421  0.226  0.590  1.0
  O  O23  1  0.226  0.590  0.421  1.0
  O  O24  1  0.590  0.421  0.226  1.0
  O  O25  1  0.921  0.090  0.726  1.0
  O  O26  1  0.090  0.726  0.921  1.0
  O  O27  1  0.726  0.921  0.090  1.0
  O  O28  1  0.555  0.776  0.436  1.0
  O  O29  1  0.776  0.436  0.555  1.0
  O  O30  1  0.436  0.555  0.776  1.0
  O  O31  1  0.055  0.936  0.276  1.0
  O  O32  1  0.936  0.276  0.055  1.0
  O  O33  1  0.276  0.055  0.936  1.0
  Si  Si34  1  0.544  0.955  0.254  1.0
  Si  Si35  1  0.955  0.254  0.544  1.0
  Si  Si36  1  0.254  0.544  0.955  1.0
  Si  Si37  1  0.044  0.754  0.455  1.0
  Si  Si38  1  0.754  0.455  0.044  1.0
  Si  Si39  1  0.455  0.044  0.754  1.0
  Ta  Ta40  1  0.647  0.647  0.647  1.0
  Ta  Ta41  1  0.147  0.147  0.147  1.0
[/CIF]
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The material structure described by Na4TaIn(SiO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Ta(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one In(1), and one Si(1) atom to form distorted face-sharing ONa3InSi trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Ta(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one In(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4TaIn(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.181
_cell_length_b   9.181
_cell_length_c   9.181
_cell_angle_alpha   60.241
_cell_angle_beta   60.241
_cell_angle_gamma   60.241
_symmetry_Int_Tables_number   1
_cell_volume   550.192
_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
  In  In0  1  0.350  0.350  0.350  1.0
  In  In1  1  0.850  0.850  0.850  1.0
  Na  Na2  1  0.887  0.621  0.233  1.0
  Na  Na3  1  0.621  0.233  0.887  1.0
  Na  Na4  1  0.233  0.887  0.621  1.0
  Na  Na5  1  0.387  0.733  0.121  1.0
  Na  Na6  1  0.733  0.121  0.387  1.0
  Na  Na7  1  0.121  0.387  0.733  1.0
  Na  Na8  1  0.495  0.495  0.495  1.0
  Na  Na9  1  0.995  0.995  0.995  1.0
  O  O10  1  0.530  0.124  0.278  1.0
  O  O11  1  0.124  0.278  0.530  1.0
  O  O12  1  0.278  0.530  0.124  1.0
  O  O13  1  0.030  0.778  0.624  1.0
  O  O14  1  0.778  0.624  0.030  1.0
  O  O15  1  0.624  0.030  0.778  1.0
  O  O16  1  0.497  0.859  0.724  1.0
  O  O17  1  0.859  0.724  0.497  1.0
  O  O18  1  0.724  0.497  0.859  1.0
  O  O19  1  0.997  0.224  0.359  1.0
  O  O20  1  0.224  0.359  0.997  1.0
  O  O21  1  0.359  0.997  0.224  1.0
  O  O22  1  0.421  0.226  0.590  1.0
  O  O23  1  0.226  0.590  0.421  1.0
  O  O24  1  0.590  0.421  0.226  1.0
  O  O25  1  0.921  0.090  0.726  1.0
  O  O26  1  0.090  0.726  0.921  1.0
  O  O27  1  0.726  0.921  0.090  1.0
  O  O28  1  0.555  0.776  0.436  1.0
  O  O29  1  0.776  0.436  0.555  1.0
  O  O30  1  0.436  0.555  0.776  1.0
  O  O31  1  0.055  0.936  0.276  1.0
  O  O32  1  0.936  0.276  0.055  1.0
  O  O33  1  0.276  0.055  0.936  1.0
  Si  Si34  1  0.544  0.955  0.254  1.0
  Si  Si35  1  0.955  0.254  0.544  1.0
  Si  Si36  1  0.254  0.544  0.955  1.0
  Si  Si37  1  0.044  0.754  0.455  1.0
  Si  Si38  1  0.754  0.455  0.044  1.0
  Si  Si39  1  0.455  0.044  0.754  1.0
  Ta  Ta40  1  0.647  0.647  0.647  1.0
  Ta  Ta41  1  0.147  0.147  0.147  1.0
[/CIF]
.