The material structure described by BaNb2Fe2O9 crystallizes in the orthorhombic Fmm2 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form NbO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-12°. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom. In the third O site, O(3) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_BaNb2Fe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.506
_cell_length_b   13.506
_cell_length_c   3.976
_cell_angle_alpha   81.538
_cell_angle_beta   81.534
_cell_angle_gamma   16.928
_symmetry_Int_Tables_number   1
_cell_volume   208.800
_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  0.723  0.277  0.723  1.0
  Nb  Nb1  1  0.299  0.869  0.131  1.0
  Nb  Nb2  1  0.131  0.701  0.299  1.0
  Fe  Fe3  1  0.462  0.989  0.011  1.0
  Fe  Fe4  1  0.011  0.538  0.462  1.0
  O  O5  1  0.228  0.772  0.228  1.0
  O  O6  1  0.388  0.925  0.075  1.0
  O  O7  1  0.075  0.612  0.388  1.0
  O  O8  1  0.987  0.513  0.987  1.0
  O  O9  1  0.487  0.013  0.487  1.0
  O  O10  1  0.156  0.691  0.806  1.0
  O  O11  1  0.309  0.844  0.653  1.0
  O  O12  1  0.806  0.347  0.156  1.0
  O  O13  1  0.653  0.194  0.309  1.0
[/CIF]
.
The material structure described by BaNb2Fe2O9 crystallizes in the orthorhombic Fmm2 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form NbO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-12°. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom. In the third O site, O(3) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_BaNb2Fe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.506
_cell_length_b   13.506
_cell_length_c   3.976
_cell_angle_alpha   81.538
_cell_angle_beta   81.534
_cell_angle_gamma   16.928
_symmetry_Int_Tables_number   1
_cell_volume   208.800
_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  0.723  0.277  0.723  1.0
  Nb  Nb1  1  0.299  0.869  0.131  1.0
  Nb  Nb2  1  0.131  0.701  0.299  1.0
  Fe  Fe3  1  0.462  0.989  0.011  1.0
  Fe  Fe4  1  0.011  0.538  0.462  1.0
  O  O5  1  0.228  0.772  0.228  1.0
  O  O6  1  0.388  0.925  0.075  1.0
  O  O7  1  0.075  0.612  0.388  1.0
  O  O8  1  0.987  0.513  0.987  1.0
  O  O9  1  0.487  0.013  0.487  1.0
  O  O10  1  0.156  0.691  0.806  1.0
  O  O11  1  0.309  0.844  0.653  1.0
  O  O12  1  0.806  0.347  0.156  1.0
  O  O13  1  0.653  0.194  0.309  1.0
[/CIF]
.