The compound described by Sr2NiTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1), one Ni(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ni(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.645
_cell_length_b   5.649
_cell_length_c   5.665
_cell_angle_alpha   60.679
_cell_angle_beta   60.113
_cell_angle_gamma   60.023
_symmetry_Int_Tables_number   1
_cell_volume   128.521
_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
  Ni  Ni0  1  0.500  0.500  0.500  1.0
  O  O1  1  0.760  0.178  0.303  1.0
  O  O2  1  0.240  0.822  0.697  1.0
  O  O3  1  0.724  0.273  0.795  1.0
  O  O4  1  0.792  0.727  0.205  1.0
  O  O5  1  0.276  0.727  0.205  1.0
  O  O6  1  0.208  0.273  0.795  1.0
  Sr  Sr7  1  0.750  0.746  0.754  1.0
  Sr  Sr8  1  0.250  0.254  0.246  1.0
  Te  Te9  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Sr2NiTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1), one Ni(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ni(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.645
_cell_length_b   5.649
_cell_length_c   5.665
_cell_angle_alpha   60.679
_cell_angle_beta   60.113
_cell_angle_gamma   60.023
_symmetry_Int_Tables_number   1
_cell_volume   128.521
_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
  Ni  Ni0  1  0.500  0.500  0.500  1.0
  O  O1  1  0.760  0.178  0.303  1.0
  O  O2  1  0.240  0.822  0.697  1.0
  O  O3  1  0.724  0.273  0.795  1.0
  O  O4  1  0.792  0.727  0.205  1.0
  O  O5  1  0.276  0.727  0.205  1.0
  O  O6  1  0.208  0.273  0.795  1.0
  Sr  Sr7  1  0.750  0.746  0.754  1.0
  Sr  Sr8  1  0.250  0.254  0.246  1.0
  Te  Te9  1  0.000  0.000  0.000  1.0
[/CIF]
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