The material structure described by Nb(BaO3)2Fe is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of four 7439-89-6 atoms and four 7440-03-1 atoms inside a BaO3 framework. In the BaO3 framework, Ba(1) is bonded to six equivalent O(1) atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2NbFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.759
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   218.311
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Nb  Nb2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Nb(BaO3)2Fe is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of four 7439-89-6 atoms and four 7440-03-1 atoms inside a BaO3 framework. In the BaO3 framework, Ba(1) is bonded to six equivalent O(1) atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2NbFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.759
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   218.311
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Nb  Nb2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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