The material described by Sm2TeO6 crystallizes in the trigonal P321 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SmO6 pentagonal pyramids that share corners with four equivalent Te(1)O6 octahedra and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Sm(1)O6 pentagonal pyramids. In the second Te site, Te(2) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share edges with three equivalent Sm(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(2), and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sm(1), one Sm(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Sm2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.151
_cell_length_b   9.151
_cell_length_c   5.347
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   387.755
_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
  Sm  Sm0  1  1.000  0.609  0.500  1.0
  Sm  Sm1  1  0.000  0.273  1.000  1.0
  Sm  Sm2  1  0.391  0.391  0.500  1.0
  Sm  Sm3  1  0.273  1.000  1.000  1.0
  Sm  Sm4  1  0.727  0.727  0.000  1.0
  Sm  Sm5  1  0.609  1.000  0.500  1.0
  Te  Te6  1  0.333  0.667  0.990  1.0
  Te  Te7  1  1.000  0.000  0.500  1.0
  Te  Te8  1  0.667  0.333  0.010  1.0
  O  O9  1  0.066  0.873  0.291  1.0
  O  O10  1  0.233  0.764  0.779  1.0
  O  O11  1  0.137  0.546  0.198  1.0
  O  O12  1  0.409  0.863  0.197  1.0
  O  O13  1  0.236  0.468  0.779  1.0
  O  O14  1  0.127  0.194  0.291  1.0
  O  O15  1  0.194  0.127  0.709  1.0
  O  O16  1  0.532  0.767  0.779  1.0
  O  O17  1  0.454  0.591  0.198  1.0
  O  O18  1  0.806  0.934  0.291  1.0
  O  O19  1  0.468  0.236  0.221  1.0
  O  O20  1  0.591  0.454  0.803  1.0
  O  O21  1  0.546  0.137  0.802  1.0
  O  O22  1  0.767  0.531  0.221  1.0
  O  O23  1  0.934  0.806  0.709  1.0
  O  O24  1  0.764  0.233  0.221  1.0
  O  O25  1  0.863  0.409  0.802  1.0
  O  O26  1  0.873  0.067  0.709  1.0
[/CIF]
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The material described by Sm2TeO6 crystallizes in the trigonal P321 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SmO6 pentagonal pyramids that share corners with four equivalent Te(1)O6 octahedra and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Sm(1)O6 pentagonal pyramids. In the second Te site, Te(2) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share edges with three equivalent Sm(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(2), and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sm(1), one Sm(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Sm2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.151
_cell_length_b   9.151
_cell_length_c   5.347
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   387.755
_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
  Sm  Sm0  1  1.000  0.609  0.500  1.0
  Sm  Sm1  1  0.000  0.273  1.000  1.0
  Sm  Sm2  1  0.391  0.391  0.500  1.0
  Sm  Sm3  1  0.273  1.000  1.000  1.0
  Sm  Sm4  1  0.727  0.727  0.000  1.0
  Sm  Sm5  1  0.609  1.000  0.500  1.0
  Te  Te6  1  0.333  0.667  0.990  1.0
  Te  Te7  1  1.000  0.000  0.500  1.0
  Te  Te8  1  0.667  0.333  0.010  1.0
  O  O9  1  0.066  0.873  0.291  1.0
  O  O10  1  0.233  0.764  0.779  1.0
  O  O11  1  0.137  0.546  0.198  1.0
  O  O12  1  0.409  0.863  0.197  1.0
  O  O13  1  0.236  0.468  0.779  1.0
  O  O14  1  0.127  0.194  0.291  1.0
  O  O15  1  0.194  0.127  0.709  1.0
  O  O16  1  0.532  0.767  0.779  1.0
  O  O17  1  0.454  0.591  0.198  1.0
  O  O18  1  0.806  0.934  0.291  1.0
  O  O19  1  0.468  0.236  0.221  1.0
  O  O20  1  0.591  0.454  0.803  1.0
  O  O21  1  0.546  0.137  0.802  1.0
  O  O22  1  0.767  0.531  0.221  1.0
  O  O23  1  0.934  0.806  0.709  1.0
  O  O24  1  0.764  0.233  0.221  1.0
  O  O25  1  0.863  0.409  0.802  1.0
  O  O26  1  0.873  0.067  0.709  1.0
[/CIF]
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