The material structure described by Ba5Nb2O10 crystallizes in the orthorhombic Cmc2_1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(6), one O(7), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Nb(2)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted NbO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra and  a faceface with one Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra and  a faceface with one Nb(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Nb(1), and one Nb(2) atom to form a mixture of distorted corner and face-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(3), and one Nb(1) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(2) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and two equivalent Ba(5) atoms. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(3), and one Nb(1) atom. In the sixth O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(2) atom. In the seventh O site, O(4) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Nb(1), and one Nb(2) atom to form a mixture of distorted corner and face-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. is represented by the CIF card [CIF]
data_Ba5Nb2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.178
_cell_length_b   6.178
_cell_length_c   18.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.225
_symmetry_Int_Tables_number   1
_cell_volume   604.746
_cell_formula_units_Z   2
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  0.832  0.168  0.751  1.0
  Ba  Ba1  1  0.808  0.192  0.982  1.0
  Ba  Ba2  1  0.496  0.504  0.865  1.0
  Ba  Ba3  1  0.500  0.500  0.635  1.0
  Ba  Ba4  1  0.504  0.496  0.365  1.0
  Ba  Ba5  1  0.500  0.500  0.135  1.0
  Ba  Ba6  1  0.851  0.149  0.520  1.0
  Ba  Ba7  1  0.192  0.808  0.482  1.0
  Ba  Ba8  1  0.168  0.832  0.251  1.0
  Ba  Ba9  1  0.149  0.851  0.020  1.0
  Nb  Nb10  1  0.837  0.163  0.331  1.0
  Nb  Nb11  1  0.831  0.169  0.170  1.0
  Nb  Nb12  1  0.163  0.837  0.831  1.0
  Nb  Nb13  1  0.169  0.831  0.670  1.0
  O  O14  1  0.563  0.437  1.000  1.0
  O  O15  1  0.975  0.484  0.380  1.0
  O  O16  1  0.004  0.476  0.115  1.0
  O  O17  1  0.687  0.313  0.245  1.0
  O  O18  1  0.127  0.313  0.252  1.0
  O  O19  1  0.516  0.025  0.380  1.0
  O  O20  1  0.524  0.996  0.115  1.0
  O  O21  1  0.687  0.873  0.252  1.0
  O  O22  1  0.985  0.015  0.389  1.0
  O  O23  1  0.994  0.006  0.121  1.0
  O  O24  1  0.006  0.994  0.621  1.0
  O  O25  1  0.015  0.985  0.889  1.0
  O  O26  1  0.313  0.127  0.752  1.0
  O  O27  1  0.484  0.975  0.880  1.0
  O  O28  1  0.873  0.687  0.752  1.0
  O  O29  1  0.476  0.004  0.615  1.0
  O  O30  1  0.313  0.687  0.745  1.0
  O  O31  1  0.025  0.516  0.880  1.0
  O  O32  1  0.996  0.524  0.615  1.0
  O  O33  1  0.437  0.563  0.500  1.0
[/CIF]
.
The material structure described by Ba5Nb2O10 crystallizes in the orthorhombic Cmc2_1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(6), one O(7), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Nb(2)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted NbO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra and  a faceface with one Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share faces with three equivalent Ba(1)O12 cuboctahedra and  a faceface with one Nb(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Nb(1), and one Nb(2) atom to form a mixture of distorted corner and face-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(3), and one Nb(1) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(2) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and two equivalent Ba(5) atoms. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(3), and one Nb(1) atom. In the sixth O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(2) atom. In the seventh O site, O(4) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Nb(1), and one Nb(2) atom to form a mixture of distorted corner and face-sharing OBa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. is represented by the CIF card [CIF]
data_Ba5Nb2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.178
_cell_length_b   6.178
_cell_length_c   18.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.225
_symmetry_Int_Tables_number   1
_cell_volume   604.746
_cell_formula_units_Z   2
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  0.832  0.168  0.751  1.0
  Ba  Ba1  1  0.808  0.192  0.982  1.0
  Ba  Ba2  1  0.496  0.504  0.865  1.0
  Ba  Ba3  1  0.500  0.500  0.635  1.0
  Ba  Ba4  1  0.504  0.496  0.365  1.0
  Ba  Ba5  1  0.500  0.500  0.135  1.0
  Ba  Ba6  1  0.851  0.149  0.520  1.0
  Ba  Ba7  1  0.192  0.808  0.482  1.0
  Ba  Ba8  1  0.168  0.832  0.251  1.0
  Ba  Ba9  1  0.149  0.851  0.020  1.0
  Nb  Nb10  1  0.837  0.163  0.331  1.0
  Nb  Nb11  1  0.831  0.169  0.170  1.0
  Nb  Nb12  1  0.163  0.837  0.831  1.0
  Nb  Nb13  1  0.169  0.831  0.670  1.0
  O  O14  1  0.563  0.437  1.000  1.0
  O  O15  1  0.975  0.484  0.380  1.0
  O  O16  1  0.004  0.476  0.115  1.0
  O  O17  1  0.687  0.313  0.245  1.0
  O  O18  1  0.127  0.313  0.252  1.0
  O  O19  1  0.516  0.025  0.380  1.0
  O  O20  1  0.524  0.996  0.115  1.0
  O  O21  1  0.687  0.873  0.252  1.0
  O  O22  1  0.985  0.015  0.389  1.0
  O  O23  1  0.994  0.006  0.121  1.0
  O  O24  1  0.006  0.994  0.621  1.0
  O  O25  1  0.015  0.985  0.889  1.0
  O  O26  1  0.313  0.127  0.752  1.0
  O  O27  1  0.484  0.975  0.880  1.0
  O  O28  1  0.873  0.687  0.752  1.0
  O  O29  1  0.476  0.004  0.615  1.0
  O  O30  1  0.313  0.687  0.745  1.0
  O  O31  1  0.025  0.516  0.880  1.0
  O  O32  1  0.996  0.524  0.615  1.0
  O  O33  1  0.437  0.563  0.500  1.0
[/CIF]
.