The crystal structure described by Sc2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with six equivalent Sc(2)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Te(2)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and edges with three equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Te site, Te(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Sc(2)O6 octahedra and edges with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sc(1), one Sc(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Sc(1), one Sc(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Sc2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.767
_cell_length_b   8.767
_cell_length_c   4.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.682
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.293  0.000  0.500  1.0
  Sc  Sc1  1  0.629  1.000  1.000  1.0
  Sc  Sc2  1  0.707  0.707  0.500  1.0
  Sc  Sc3  1  1.000  0.629  0.000  1.0
  Sc  Sc4  1  0.371  0.371  1.000  1.0
  Sc  Sc5  1  0.000  0.293  0.500  1.0
  Te  Te6  1  0.000  1.000  0.000  1.0
  Te  Te7  1  0.667  0.333  0.497  1.0
  Te  Te8  1  0.333  0.667  0.503  1.0
  O  O9  1  0.881  0.090  0.219  1.0
  O  O10  1  0.456  0.581  0.726  1.0
  O  O11  1  0.222  0.766  0.280  1.0
  O  O12  1  0.766  0.222  0.720  1.0
  O  O13  1  0.543  0.778  0.280  1.0
  O  O14  1  0.234  0.457  0.280  1.0
  O  O15  1  0.125  0.544  0.726  1.0
  O  O16  1  0.581  0.456  0.274  1.0
  O  O17  1  0.544  0.125  0.274  1.0
  O  O18  1  0.875  0.419  0.274  1.0
  O  O19  1  0.457  0.234  0.720  1.0
  O  O20  1  0.209  0.119  0.219  1.0
  O  O21  1  0.910  0.791  0.219  1.0
  O  O22  1  0.119  0.209  0.781  1.0
  O  O23  1  0.791  0.910  0.781  1.0
  O  O24  1  0.090  0.881  0.781  1.0
  O  O25  1  0.419  0.875  0.726  1.0
  O  O26  1  0.778  0.543  0.720  1.0
[/CIF]
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The crystal structure described by Sc2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with six equivalent Sc(2)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Te(2)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and edges with three equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Te site, Te(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Sc(2)O6 octahedra and edges with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sc(1), one Sc(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Sc(1), one Sc(2), and one Te(2) atom. is represented by the CIF file [CIF]
data_Sc2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.767
_cell_length_b   8.767
_cell_length_c   4.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.682
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.293  0.000  0.500  1.0
  Sc  Sc1  1  0.629  1.000  1.000  1.0
  Sc  Sc2  1  0.707  0.707  0.500  1.0
  Sc  Sc3  1  1.000  0.629  0.000  1.0
  Sc  Sc4  1  0.371  0.371  1.000  1.0
  Sc  Sc5  1  0.000  0.293  0.500  1.0
  Te  Te6  1  0.000  1.000  0.000  1.0
  Te  Te7  1  0.667  0.333  0.497  1.0
  Te  Te8  1  0.333  0.667  0.503  1.0
  O  O9  1  0.881  0.090  0.219  1.0
  O  O10  1  0.456  0.581  0.726  1.0
  O  O11  1  0.222  0.766  0.280  1.0
  O  O12  1  0.766  0.222  0.720  1.0
  O  O13  1  0.543  0.778  0.280  1.0
  O  O14  1  0.234  0.457  0.280  1.0
  O  O15  1  0.125  0.544  0.726  1.0
  O  O16  1  0.581  0.456  0.274  1.0
  O  O17  1  0.544  0.125  0.274  1.0
  O  O18  1  0.875  0.419  0.274  1.0
  O  O19  1  0.457  0.234  0.720  1.0
  O  O20  1  0.209  0.119  0.219  1.0
  O  O21  1  0.910  0.791  0.219  1.0
  O  O22  1  0.119  0.209  0.781  1.0
  O  O23  1  0.791  0.910  0.781  1.0
  O  O24  1  0.090  0.881  0.781  1.0
  O  O25  1  0.419  0.875  0.726  1.0
  O  O26  1  0.778  0.543  0.720  1.0
[/CIF]
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