The material structure described by BaNb4MnO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-43°. Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_BaMnNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.457
_symmetry_Int_Tables_number   1
_cell_volume   251.420
_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  0.524  0.476  0.500  1.0
  Mn  Mn1  1  0.981  0.019  0.000  1.0
  Nb  Nb2  1  0.509  0.982  0.244  1.0
  Nb  Nb3  1  0.509  0.982  0.756  1.0
  Nb  Nb4  1  0.018  0.491  0.756  1.0
  Nb  Nb5  1  0.018  0.491  0.244  1.0
  O  O6  1  0.287  0.297  0.240  1.0
  O  O7  1  0.703  0.713  0.240  1.0
  O  O8  1  0.703  0.713  0.760  1.0
  O  O9  1  0.287  0.297  0.760  1.0
  O  O10  1  0.188  0.812  0.188  1.0
  O  O11  1  0.781  0.219  0.279  1.0
  O  O12  1  0.781  0.219  0.721  1.0
  O  O13  1  0.188  0.812  0.812  1.0
  O  O14  1  0.581  0.030  0.000  1.0
  O  O15  1  0.462  0.969  0.500  1.0
  O  O16  1  0.970  0.419  0.000  1.0
  O  O17  1  0.031  0.538  0.500  1.0
[/CIF]
.
The material structure described by BaNb4MnO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-43°. Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_BaMnNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.608
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.457
_symmetry_Int_Tables_number   1
_cell_volume   251.420
_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  0.524  0.476  0.500  1.0
  Mn  Mn1  1  0.981  0.019  0.000  1.0
  Nb  Nb2  1  0.509  0.982  0.244  1.0
  Nb  Nb3  1  0.509  0.982  0.756  1.0
  Nb  Nb4  1  0.018  0.491  0.756  1.0
  Nb  Nb5  1  0.018  0.491  0.244  1.0
  O  O6  1  0.287  0.297  0.240  1.0
  O  O7  1  0.703  0.713  0.240  1.0
  O  O8  1  0.703  0.713  0.760  1.0
  O  O9  1  0.287  0.297  0.760  1.0
  O  O10  1  0.188  0.812  0.188  1.0
  O  O11  1  0.781  0.219  0.279  1.0
  O  O12  1  0.781  0.219  0.721  1.0
  O  O13  1  0.188  0.812  0.812  1.0
  O  O14  1  0.581  0.030  0.000  1.0
  O  O15  1  0.462  0.969  0.500  1.0
  O  O16  1  0.970  0.419  0.000  1.0
  O  O17  1  0.031  0.538  0.500  1.0
[/CIF]
.