The crystal structure described by Sr3Fe2TeO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Te(1)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Te(1)O6 octahedra, and faces with five equivalent Fe(1)O6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one Fe(1), and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeTe octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Fe2TeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   6.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   191.737
_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
  Sr  Sr0  1  0.667  0.333  0.667  1.0
  Sr  Sr1  1  0.333  0.667  0.345  1.0
  Sr  Sr2  1  0.000  1.000  0.988  1.0
  Fe  Fe3  1  0.000  1.000  0.516  1.0
  Fe  Fe4  1  0.333  0.667  0.817  1.0
  Te  Te5  1  0.667  0.333  0.167  1.0
  O  O6  1  0.667  0.833  0.667  1.0
  O  O7  1  0.167  0.833  0.667  1.0
  O  O8  1  0.167  0.333  0.667  1.0
  O  O9  1  0.341  0.171  0.328  1.0
  O  O10  1  0.992  0.496  0.006  1.0
  O  O11  1  0.829  0.171  0.328  1.0
  O  O12  1  0.504  0.496  0.006  1.0
  O  O13  1  0.829  0.659  0.328  1.0
  O  O14  1  0.504  0.008  0.006  1.0
[/CIF]
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The crystal structure described by Sr3Fe2TeO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Te(1)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Te(1)O6 octahedra, and faces with five equivalent Fe(1)O6 octahedra. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one Fe(1), and one Te(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeTe octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Fe2TeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   6.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   191.737
_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
  Sr  Sr0  1  0.667  0.333  0.667  1.0
  Sr  Sr1  1  0.333  0.667  0.345  1.0
  Sr  Sr2  1  0.000  1.000  0.988  1.0
  Fe  Fe3  1  0.000  1.000  0.516  1.0
  Fe  Fe4  1  0.333  0.667  0.817  1.0
  Te  Te5  1  0.667  0.333  0.167  1.0
  O  O6  1  0.667  0.833  0.667  1.0
  O  O7  1  0.167  0.833  0.667  1.0
  O  O8  1  0.167  0.333  0.667  1.0
  O  O9  1  0.341  0.171  0.328  1.0
  O  O10  1  0.992  0.496  0.006  1.0
  O  O11  1  0.829  0.171  0.328  1.0
  O  O12  1  0.504  0.496  0.006  1.0
  O  O13  1  0.829  0.659  0.328  1.0
  O  O14  1  0.504  0.008  0.006  1.0
[/CIF]
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