The compound described by Ba2MgNb6(NO7)2 crystallizes in the triclinic P1 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(5), and two equivalent O(8) atoms to form distorted BaO6 pentagonal pyramids that share corners with two equivalent Nb(1)NO5 octahedra, corners with two equivalent Nb(4)NO5 octahedra, corners with two equivalent Nb(6)NO5 octahedra, corners with two equivalent Nb(3)O6 octahedra, and faces with two equivalent Ba(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-70°. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent N(2), one O(2), one O(7), two equivalent O(11), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), and two equivalent O(12) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(2), one O(14), one O(4), one O(5), and two equivalent O(2) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(1)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids,  an edgeedge with one Nb(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Nb site, Nb(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(4)NO5 octahedra,  a cornercorner with one Nb(6)NO5 octahedra, corners with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(1)NO5 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. In the third Nb site, Nb(3) is bonded to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids,  an edgeedge with one Nb(1)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the fourth Nb site, Nb(4) is bonded to one N(1), one O(12), one O(6), one O(8), and two equivalent O(10) atoms to form distorted NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(4)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids, and  an edgeedge with one Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the fifth Nb site, Nb(5) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(10), one O(11), and one O(13) atom. In the sixth Nb site, Nb(6) is bonded to one N(1), one O(1), one O(12), one O(3), and two equivalent O(13) atoms to form distorted NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(6)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids, and  an edgeedge with one Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted NNb4 tetrahedra that share corners with two equivalent N(1)Nb4 tetrahedra, edges with two equivalent O(10)MgNb3 trigonal pyramids, and edges with two equivalent O(13)MgNb3 trigonal pyramids. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Ba(2), one Nb(1), and one Nb(5) 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 3-coordinate geometry to one Ba(2), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted ONb4 trigonal pyramids that share corners with two equivalent O(4)Nb4 trigonal pyramids and  an edgeedge with one O(5)Ba2Nb2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Nb(1), and one Nb(3) atom to form distorted OBa2Nb2 tetrahedra that share corners with two equivalent O(5)Ba2Nb2 tetrahedra and  an edgeedge with one O(4)Nb4 trigonal pyramid. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Nb(2), and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Nb(5), and two equivalent Nb(4) atoms to form distorted OMgNb3 trigonal pyramids that share corners with two equivalent O(10)MgNb3 trigonal pyramids, edges with two equivalent N(1)Nb4 tetrahedra, and  an edgeedge with one O(13)MgNb3 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Ba(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to two equivalent Mg(1), one Nb(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Nb(5), and two equivalent Nb(6) atoms to form distorted OMgNb3 trigonal pyramids that share corners with two equivalent O(13)MgNb3 trigonal pyramids, edges with two equivalent N(1)Nb4 tetrahedra, and  an edgeedge with one O(10)MgNb3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(1) atom. is represented by the CIF card [CIF]
data_Ba2MgNb6(NO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.203
_cell_length_b   10.738
_cell_length_c   4.008
_cell_angle_alpha   79.111
_cell_angle_beta   90.002
_cell_angle_gamma   89.812
_symmetry_Int_Tables_number   1
_cell_volume   388.931
_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  0.232  0.951  0.021  1.0
  Ba  Ba1  1  0.748  0.234  0.882  1.0
  Mg  Mg2  1  0.755  0.841  0.075  1.0
  Nb  Nb3  1  0.059  0.271  0.364  1.0
  Nb  Nb4  1  0.260  0.456  0.770  1.0
  Nb  Nb5  1  0.430  0.253  0.373  1.0
  Nb  Nb6  1  0.547  0.722  0.635  1.0
  Nb  Nb7  1  0.747  0.519  0.238  1.0
  Nb  Nb8  1  0.948  0.699  0.647  1.0
  N  N9  1  0.749  0.576  0.709  1.0
  N  N10  1  0.900  0.396  0.300  1.0
  O  O11  1  0.062  0.845  0.574  1.0
  O  O12  1  0.102  0.291  0.853  1.0
  O  O13  1  0.100  0.572  0.711  1.0
  O  O14  1  0.254  0.414  0.291  1.0
  O  O15  1  0.258  0.146  0.426  1.0
  O  O16  1  0.411  0.576  0.709  1.0
  O  O17  1  0.417  0.287  0.855  1.0
  O  O18  1  0.411  0.851  0.571  1.0
  O  O19  1  0.576  0.134  0.433  1.0
  O  O20  1  0.589  0.713  0.140  1.0
  O  O21  1  0.591  0.397  0.300  1.0
  O  O22  1  0.744  0.839  0.576  1.0
  O  O23  1  0.904  0.697  0.148  1.0
  O  O24  1  0.937  0.133  0.434  1.0
[/CIF]
.
The compound described by Ba2MgNb6(NO7)2 crystallizes in the triclinic P1 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(5), and two equivalent O(8) atoms to form distorted BaO6 pentagonal pyramids that share corners with two equivalent Nb(1)NO5 octahedra, corners with two equivalent Nb(4)NO5 octahedra, corners with two equivalent Nb(6)NO5 octahedra, corners with two equivalent Nb(3)O6 octahedra, and faces with two equivalent Ba(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 47-70°. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent N(2), one O(2), one O(7), two equivalent O(11), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), and two equivalent O(12) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(2), one O(14), one O(4), one O(5), and two equivalent O(2) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(1)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids,  an edgeedge with one Nb(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Nb site, Nb(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(4)NO5 octahedra,  a cornercorner with one Nb(6)NO5 octahedra, corners with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(1)NO5 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. In the third Nb site, Nb(3) is bonded to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids,  an edgeedge with one Nb(1)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the fourth Nb site, Nb(4) is bonded to one N(1), one O(12), one O(6), one O(8), and two equivalent O(10) atoms to form distorted NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(4)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids, and  an edgeedge with one Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the fifth Nb site, Nb(5) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(10), one O(11), and one O(13) atom. In the sixth Nb site, Nb(6) is bonded to one N(1), one O(1), one O(12), one O(3), and two equivalent O(13) atoms to form distorted NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(6)NO5 octahedra, corners with two equivalent Ba(1)O6 pentagonal pyramids, and  an edgeedge with one Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted NNb4 tetrahedra that share corners with two equivalent N(1)Nb4 tetrahedra, edges with two equivalent O(10)MgNb3 trigonal pyramids, and edges with two equivalent O(13)MgNb3 trigonal pyramids. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Ba(2), one Nb(1), and one Nb(5) 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 3-coordinate geometry to one Ba(2), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted ONb4 trigonal pyramids that share corners with two equivalent O(4)Nb4 trigonal pyramids and  an edgeedge with one O(5)Ba2Nb2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Nb(1), and one Nb(3) atom to form distorted OBa2Nb2 tetrahedra that share corners with two equivalent O(5)Ba2Nb2 tetrahedra and  an edgeedge with one O(4)Nb4 trigonal pyramid. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Nb(2), and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Nb(5), and two equivalent Nb(4) atoms to form distorted OMgNb3 trigonal pyramids that share corners with two equivalent O(10)MgNb3 trigonal pyramids, edges with two equivalent N(1)Nb4 tetrahedra, and  an edgeedge with one O(13)MgNb3 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Ba(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to two equivalent Mg(1), one Nb(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Nb(5), and two equivalent Nb(6) atoms to form distorted OMgNb3 trigonal pyramids that share corners with two equivalent O(13)MgNb3 trigonal pyramids, edges with two equivalent N(1)Nb4 tetrahedra, and  an edgeedge with one O(10)MgNb3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Nb(1) atom. is represented by the CIF card [CIF]
data_Ba2MgNb6(NO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.203
_cell_length_b   10.738
_cell_length_c   4.008
_cell_angle_alpha   79.111
_cell_angle_beta   90.002
_cell_angle_gamma   89.812
_symmetry_Int_Tables_number   1
_cell_volume   388.931
_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  0.232  0.951  0.021  1.0
  Ba  Ba1  1  0.748  0.234  0.882  1.0
  Mg  Mg2  1  0.755  0.841  0.075  1.0
  Nb  Nb3  1  0.059  0.271  0.364  1.0
  Nb  Nb4  1  0.260  0.456  0.770  1.0
  Nb  Nb5  1  0.430  0.253  0.373  1.0
  Nb  Nb6  1  0.547  0.722  0.635  1.0
  Nb  Nb7  1  0.747  0.519  0.238  1.0
  Nb  Nb8  1  0.948  0.699  0.647  1.0
  N  N9  1  0.749  0.576  0.709  1.0
  N  N10  1  0.900  0.396  0.300  1.0
  O  O11  1  0.062  0.845  0.574  1.0
  O  O12  1  0.102  0.291  0.853  1.0
  O  O13  1  0.100  0.572  0.711  1.0
  O  O14  1  0.254  0.414  0.291  1.0
  O  O15  1  0.258  0.146  0.426  1.0
  O  O16  1  0.411  0.576  0.709  1.0
  O  O17  1  0.417  0.287  0.855  1.0
  O  O18  1  0.411  0.851  0.571  1.0
  O  O19  1  0.576  0.134  0.433  1.0
  O  O20  1  0.589  0.713  0.140  1.0
  O  O21  1  0.591  0.397  0.300  1.0
  O  O22  1  0.744  0.839  0.576  1.0
  O  O23  1  0.904  0.697  0.148  1.0
  O  O24  1  0.937  0.133  0.434  1.0
[/CIF]
.