The structure described by Sr2FeHfO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Hf(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Sr2HfFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   5.683
_cell_angle_alpha   119.720
_cell_angle_beta   119.720
_cell_angle_gamma   90.488
_symmetry_Int_Tables_number   1
_cell_volume   130.328
_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
  Fe  Fe0  1  0.000  1.000  0.000  1.0
  Hf  Hf1  1  0.500  0.500  0.000  1.0
  O  O2  1  0.243  0.243  1.000  1.0
  O  O3  1  0.757  0.757  1.000  1.0
  O  O4  1  0.754  0.246  1.000  1.0
  O  O5  1  0.246  0.754  1.000  1.0
  O  O6  1  0.754  0.754  0.509  1.0
  O  O7  1  0.246  0.246  0.491  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Sr  Sr9  1  0.250  0.750  0.500  1.0
[/CIF]
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The structure described by Sr2FeHfO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Hf(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Sr2HfFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   5.683
_cell_angle_alpha   119.720
_cell_angle_beta   119.720
_cell_angle_gamma   90.488
_symmetry_Int_Tables_number   1
_cell_volume   130.328
_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
  Fe  Fe0  1  0.000  1.000  0.000  1.0
  Hf  Hf1  1  0.500  0.500  0.000  1.0
  O  O2  1  0.243  0.243  1.000  1.0
  O  O3  1  0.757  0.757  1.000  1.0
  O  O4  1  0.754  0.246  1.000  1.0
  O  O5  1  0.246  0.754  1.000  1.0
  O  O6  1  0.754  0.754  0.509  1.0
  O  O7  1  0.246  0.246  0.491  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Sr  Sr9  1  0.250  0.750  0.500  1.0
[/CIF]
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