The structure described by BaNb3NO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form distorted BaO6 pentagonal pyramids that share corners with two equivalent Nb(3)O6 octahedra and faces with two equivalent Ba(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the second Ba site, Ba(2) is bonded to two equivalent N(2), two equivalent O(12), and two equivalent O(8) atoms to form distorted BaN2O4 pentagonal pyramids that share corners with two equivalent Nb(3)O6 octahedra and faces with two equivalent Ba(2)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(1), one O(13), one O(3), and one O(4) atom. In the second Nb site, Nb(2) is bonded to one N(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)NO5 octahedra and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the third Nb site, Nb(3) is bonded to one O(10), one O(3), one O(4), one O(8), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Ba(2)N2O4 pentagonal pyramids, corners with two equivalent Ba(1)O6 pentagonal pyramids, and edges with two equivalent Nb(2)NO5 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(5), one O(7), and two equivalent O(9) atoms. In the fifth Nb site, Nb(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(14), one O(9), and two equivalent O(11) atoms. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and two equivalent O(14) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Nb(2) and two equivalent Nb(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Nb(1) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nb(1), and one Nb(3) atom to form distorted corner-sharing OBa2Nb2 tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(4) atoms. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the eleventh O site, O(11) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted ONb4 trigonal pyramids that share corners with two equivalent O(11)Nb4 trigonal pyramids and  an edgeedge with one O(12)Ba2Nb2 tetrahedra. In the twelfth O site, O(12) is bonded to two equivalent Ba(2), one Nb(4), and one Nb(6) atom to form distorted OBa2Nb2 tetrahedra that share corners with two equivalent O(12)Ba2Nb2 tetrahedra and  an edgeedge with one O(11)Nb4 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a linear geometry to one Nb(1) and one Nb(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(6) atoms. is represented by the CIF card [CIF]
data_BaNb3NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   9.138
_cell_angle_alpha   89.745
_cell_angle_beta   89.745
_cell_angle_gamma   20.811
_symmetry_Int_Tables_number   1
_cell_volume   377.142
_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  0.981  0.981  0.756  1.0
  Ba  Ba1  1  0.010  0.010  0.246  1.0
  Nb  Nb2  1  0.623  0.623  0.948  1.0
  Nb  Nb3  1  0.228  0.228  0.773  1.0
  Nb  Nb4  1  0.626  0.626  0.560  1.0
  Nb  Nb5  1  0.356  0.356  0.458  1.0
  Nb  Nb6  1  0.754  0.754  0.253  1.0
  Nb  Nb7  1  0.364  0.364  0.065  1.0
  N  N8  1  0.152  0.152  0.902  1.0
  N  N9  1  0.556  0.556  0.069  1.0
  O  O10  1  0.427  0.427  0.930  1.0
  O  O11  1  0.290  0.290  0.912  1.0
  O  O12  1  0.712  0.712  0.729  1.0
  O  O13  1  0.575  0.575  0.743  1.0
  O  O14  1  0.291  0.291  0.592  1.0
  O  O15  1  0.146  0.146  0.587  1.0
  O  O16  1  0.427  0.427  0.574  1.0
  O  O17  1  0.561  0.561  0.431  1.0
  O  O18  1  0.842  0.842  0.405  1.0
  O  O19  1  0.699  0.699  0.409  1.0
  O  O20  1  0.282  0.282  0.253  1.0
  O  O21  1  0.412  0.412  0.246  1.0
  O  O22  1  0.698  0.698  0.103  1.0
  O  O23  1  0.840  0.840  0.091  1.0
[/CIF]
.
The structure described by BaNb3NO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form distorted BaO6 pentagonal pyramids that share corners with two equivalent Nb(3)O6 octahedra and faces with two equivalent Ba(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the second Ba site, Ba(2) is bonded to two equivalent N(2), two equivalent O(12), and two equivalent O(8) atoms to form distorted BaN2O4 pentagonal pyramids that share corners with two equivalent Nb(3)O6 octahedra and faces with two equivalent Ba(2)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(1), one O(13), one O(3), and one O(4) atom. In the second Nb site, Nb(2) is bonded to one N(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)NO5 octahedra and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the third Nb site, Nb(3) is bonded to one O(10), one O(3), one O(4), one O(8), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Ba(2)N2O4 pentagonal pyramids, corners with two equivalent Ba(1)O6 pentagonal pyramids, and edges with two equivalent Nb(2)NO5 octahedra. The corner-sharing octahedral tilt angles are 28°. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(5), one O(7), and two equivalent O(9) atoms. In the fifth Nb site, Nb(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(14), one O(9), and two equivalent O(11) atoms. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and two equivalent O(14) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Nb(2) and two equivalent Nb(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Nb(1) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nb(1), and one Nb(3) atom to form distorted corner-sharing OBa2Nb2 tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(4) atoms. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the eleventh O site, O(11) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted ONb4 trigonal pyramids that share corners with two equivalent O(11)Nb4 trigonal pyramids and  an edgeedge with one O(12)Ba2Nb2 tetrahedra. In the twelfth O site, O(12) is bonded to two equivalent Ba(2), one Nb(4), and one Nb(6) atom to form distorted OBa2Nb2 tetrahedra that share corners with two equivalent O(12)Ba2Nb2 tetrahedra and  an edgeedge with one O(11)Nb4 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a linear geometry to one Nb(1) and one Nb(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(6) atoms. is represented by the CIF card [CIF]
data_BaNb3NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   9.138
_cell_angle_alpha   89.745
_cell_angle_beta   89.745
_cell_angle_gamma   20.811
_symmetry_Int_Tables_number   1
_cell_volume   377.142
_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  0.981  0.981  0.756  1.0
  Ba  Ba1  1  0.010  0.010  0.246  1.0
  Nb  Nb2  1  0.623  0.623  0.948  1.0
  Nb  Nb3  1  0.228  0.228  0.773  1.0
  Nb  Nb4  1  0.626  0.626  0.560  1.0
  Nb  Nb5  1  0.356  0.356  0.458  1.0
  Nb  Nb6  1  0.754  0.754  0.253  1.0
  Nb  Nb7  1  0.364  0.364  0.065  1.0
  N  N8  1  0.152  0.152  0.902  1.0
  N  N9  1  0.556  0.556  0.069  1.0
  O  O10  1  0.427  0.427  0.930  1.0
  O  O11  1  0.290  0.290  0.912  1.0
  O  O12  1  0.712  0.712  0.729  1.0
  O  O13  1  0.575  0.575  0.743  1.0
  O  O14  1  0.291  0.291  0.592  1.0
  O  O15  1  0.146  0.146  0.587  1.0
  O  O16  1  0.427  0.427  0.574  1.0
  O  O17  1  0.561  0.561  0.431  1.0
  O  O18  1  0.842  0.842  0.405  1.0
  O  O19  1  0.699  0.699  0.409  1.0
  O  O20  1  0.282  0.282  0.253  1.0
  O  O21  1  0.412  0.412  0.246  1.0
  O  O22  1  0.698  0.698  0.103  1.0
  O  O23  1  0.840  0.840  0.091  1.0
[/CIF]
.