The crystal structure described by Ba2MgNb6(NO7)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded to one N(2), one O(13), one O(4), and two equivalent O(3) atoms to form MgNO4 trigonal bipyramids that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Mg(1)NO4 trigonal bipyramids, edges with two equivalent Nb(6)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(2), one O(14), one O(4), one O(5), and two equivalent O(2) atoms. 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(3)O6 octahedra, and edges with two equivalent Mg(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-23°. 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,  a cornercorner with one Mg(1)NO4 trigonal bipyramid, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. 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, and  an edgeedge with one Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. 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,  an edgeedge with one Nb(4)NO5 octahedra, and edges with two equivalent Mg(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-20°. 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 NNb4 trigonal pyramids that share corners with two equivalent N(1)Nb4 trigonal pyramids and  an edgeedge with one O(12)Ba2Nb2 tetrahedra. In the second N site, N(2) is bonded in a T-shaped geometry to one Mg(1), 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 Nb(2) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Nb(2), and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted OMgNb4 trigonal bipyramids that share corners with two equivalent O(4)MgNb4 trigonal bipyramids 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)MgNb4 trigonal bipyramid. 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 T-shaped geometry to 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 3-coordinate geometry to two equivalent Ba(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Nb(5) and two equivalent Nb(4) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. 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 N(1)Nb4 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(5), and two equivalent Nb(6) atoms. 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   9.061
_cell_length_b   10.593
_cell_length_c   4.018
_cell_angle_alpha   79.062
_cell_angle_beta   90.001
_cell_angle_gamma   89.232
_symmetry_Int_Tables_number   1
_cell_volume   378.627
_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  0.251  0.971  0.012  1.0
  Ba  Ba1  1  0.739  0.040  0.978  1.0
  Mg  Mg2  1  0.068  0.557  0.219  1.0
  Nb  Nb3  1  0.043  0.265  0.366  1.0
  Nb  Nb4  1  0.281  0.451  0.772  1.0
  Nb  Nb5  1  0.435  0.263  0.367  1.0
  Nb  Nb6  1  0.563  0.733  0.631  1.0
  Nb  Nb7  1  0.736  0.525  0.235  1.0
  Nb  Nb8  1  0.930  0.742  0.627  1.0
  N  N9  1  0.748  0.589  0.703  1.0
  N  N10  1  0.909  0.415  0.290  1.0
  O  O11  1  0.069  0.870  0.562  1.0
  O  O12  1  0.098  0.292  0.852  1.0
  O  O13  1  0.099  0.585  0.705  1.0
  O  O14  1  0.243  0.430  0.283  1.0
  O  O15  1  0.249  0.161  0.417  1.0
  O  O16  1  0.415  0.581  0.707  1.0
  O  O17  1  0.422  0.276  0.860  1.0
  O  O18  1  0.423  0.866  0.564  1.0
  O  O19  1  0.572  0.129  0.434  1.0
  O  O20  1  0.589  0.714  0.141  1.0
  O  O21  1  0.577  0.412  0.292  1.0
  O  O22  1  0.751  0.852  0.572  1.0
  O  O23  1  0.924  0.708  0.144  1.0
  O  O24  1  0.918  0.129  0.434  1.0
[/CIF]
.
The crystal structure described by Ba2MgNb6(NO7)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded to one N(2), one O(13), one O(4), and two equivalent O(3) atoms to form MgNO4 trigonal bipyramids that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Mg(1)NO4 trigonal bipyramids, edges with two equivalent Nb(6)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(2), one O(14), one O(4), one O(5), and two equivalent O(2) atoms. 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(3)O6 octahedra, and edges with two equivalent Mg(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-23°. 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,  a cornercorner with one Mg(1)NO4 trigonal bipyramid, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. 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, and  an edgeedge with one Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. 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,  an edgeedge with one Nb(4)NO5 octahedra, and edges with two equivalent Mg(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-20°. 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 NNb4 trigonal pyramids that share corners with two equivalent N(1)Nb4 trigonal pyramids and  an edgeedge with one O(12)Ba2Nb2 tetrahedra. In the second N site, N(2) is bonded in a T-shaped geometry to one Mg(1), 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 Nb(2) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Nb(2), and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted OMgNb4 trigonal bipyramids that share corners with two equivalent O(4)MgNb4 trigonal bipyramids 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)MgNb4 trigonal bipyramid. 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 T-shaped geometry to 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 3-coordinate geometry to two equivalent Ba(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Nb(5) and two equivalent Nb(4) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. 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 N(1)Nb4 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(5), and two equivalent Nb(6) atoms. 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   9.061
_cell_length_b   10.593
_cell_length_c   4.018
_cell_angle_alpha   79.062
_cell_angle_beta   90.001
_cell_angle_gamma   89.232
_symmetry_Int_Tables_number   1
_cell_volume   378.627
_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  0.251  0.971  0.012  1.0
  Ba  Ba1  1  0.739  0.040  0.978  1.0
  Mg  Mg2  1  0.068  0.557  0.219  1.0
  Nb  Nb3  1  0.043  0.265  0.366  1.0
  Nb  Nb4  1  0.281  0.451  0.772  1.0
  Nb  Nb5  1  0.435  0.263  0.367  1.0
  Nb  Nb6  1  0.563  0.733  0.631  1.0
  Nb  Nb7  1  0.736  0.525  0.235  1.0
  Nb  Nb8  1  0.930  0.742  0.627  1.0
  N  N9  1  0.748  0.589  0.703  1.0
  N  N10  1  0.909  0.415  0.290  1.0
  O  O11  1  0.069  0.870  0.562  1.0
  O  O12  1  0.098  0.292  0.852  1.0
  O  O13  1  0.099  0.585  0.705  1.0
  O  O14  1  0.243  0.430  0.283  1.0
  O  O15  1  0.249  0.161  0.417  1.0
  O  O16  1  0.415  0.581  0.707  1.0
  O  O17  1  0.422  0.276  0.860  1.0
  O  O18  1  0.423  0.866  0.564  1.0
  O  O19  1  0.572  0.129  0.434  1.0
  O  O20  1  0.589  0.714  0.141  1.0
  O  O21  1  0.577  0.412  0.292  1.0
  O  O22  1  0.751  0.852  0.572  1.0
  O  O23  1  0.924  0.708  0.144  1.0
  O  O24  1  0.918  0.129  0.434  1.0
[/CIF]
.