The compound described by Ba2MgNb6(NO7)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(5), one O(9), two equivalent O(1), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent N(2), one O(12), one O(7), two equivalent O(11), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(14), 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,  an edgeedge with one Nb(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. 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, 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 8-25°. 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 NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  an edgeedge with one Nb(1)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. 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 and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. 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 in a 5-coordinate geometry to one N(1), one O(1), one O(3), and two equivalent O(13) atoms. 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 corner-sharing NNb4 tetrahedra. In the second N site, N(2) is bonded in a 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 see-saw-like geometry to two equivalent Ba(1), one Mg(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 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 corner-sharing ONb4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Nb(1), and one Nb(3) atom. 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 distorted T-shaped 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 3-coordinate geometry to two equivalent Ba(1) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Nb(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate 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 two equivalent Ba(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Mg(1), and one Nb(4) atom. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like 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 4-coordinate geometry to two equivalent Ba(2), one Mg(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgNb6(NO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.303
_cell_length_b   10.728
_cell_length_c   4.032
_cell_angle_alpha   68.432
_cell_angle_beta   89.293
_cell_angle_gamma   96.695
_symmetry_Int_Tables_number   1
_cell_volume   370.985
_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  0.290  0.906  0.888  1.0
  Ba  Ba1  1  0.695  0.172  0.070  1.0
  Mg  Mg2  1  0.889  0.913  0.789  1.0
  Nb  Nb3  1  0.031  0.270  0.477  1.0
  Nb  Nb4  1  0.280  0.457  0.790  1.0
  Nb  Nb5  1  0.395  0.262  0.483  1.0
  Nb  Nb6  1  0.609  0.752  0.527  1.0
  Nb  Nb7  1  0.755  0.527  0.237  1.0
  Nb  Nb8  1  0.980  0.693  0.568  1.0
  N  N9  1  0.768  0.592  0.673  1.0
  N  N10  1  0.889  0.395  0.365  1.0
  O  O11  1  0.071  0.876  0.446  1.0
  O  O12  1  0.079  0.299  0.950  1.0
  O  O13  1  0.137  0.597  0.652  1.0
  O  O14  1  0.240  0.426  0.321  1.0
  O  O15  1  0.213  0.150  0.600  1.0
  O  O16  1  0.440  0.583  0.665  1.0
  O  O17  1  0.408  0.284  0.963  1.0
  O  O18  1  0.463  0.863  0.422  1.0
  O  O19  1  0.511  0.117  0.630  1.0
  O  O20  1  0.627  0.728  0.036  1.0
  O  O21  1  0.585  0.403  0.346  1.0
  O  O22  1  0.781  0.887  0.361  1.0
  O  O23  1  0.939  0.714  0.056  1.0
  O  O24  1  0.895  0.111  0.634  1.0
[/CIF]
.
The compound described by Ba2MgNb6(NO7)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(5), one O(9), two equivalent O(1), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent N(2), one O(12), one O(7), two equivalent O(11), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(14), 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,  an edgeedge with one Nb(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. 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, 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 8-25°. 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 NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  an edgeedge with one Nb(1)NO5 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. 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 and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. 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 in a 5-coordinate geometry to one N(1), one O(1), one O(3), and two equivalent O(13) atoms. 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 corner-sharing NNb4 tetrahedra. In the second N site, N(2) is bonded in a 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 see-saw-like geometry to two equivalent Ba(1), one Mg(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 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 corner-sharing ONb4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Nb(1), and one Nb(3) atom. 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 distorted T-shaped 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 3-coordinate geometry to two equivalent Ba(1) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Nb(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate 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 two equivalent Ba(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Mg(1), and one Nb(4) atom. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like 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 4-coordinate geometry to two equivalent Ba(2), one Mg(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgNb6(NO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.303
_cell_length_b   10.728
_cell_length_c   4.032
_cell_angle_alpha   68.432
_cell_angle_beta   89.293
_cell_angle_gamma   96.695
_symmetry_Int_Tables_number   1
_cell_volume   370.985
_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  0.290  0.906  0.888  1.0
  Ba  Ba1  1  0.695  0.172  0.070  1.0
  Mg  Mg2  1  0.889  0.913  0.789  1.0
  Nb  Nb3  1  0.031  0.270  0.477  1.0
  Nb  Nb4  1  0.280  0.457  0.790  1.0
  Nb  Nb5  1  0.395  0.262  0.483  1.0
  Nb  Nb6  1  0.609  0.752  0.527  1.0
  Nb  Nb7  1  0.755  0.527  0.237  1.0
  Nb  Nb8  1  0.980  0.693  0.568  1.0
  N  N9  1  0.768  0.592  0.673  1.0
  N  N10  1  0.889  0.395  0.365  1.0
  O  O11  1  0.071  0.876  0.446  1.0
  O  O12  1  0.079  0.299  0.950  1.0
  O  O13  1  0.137  0.597  0.652  1.0
  O  O14  1  0.240  0.426  0.321  1.0
  O  O15  1  0.213  0.150  0.600  1.0
  O  O16  1  0.440  0.583  0.665  1.0
  O  O17  1  0.408  0.284  0.963  1.0
  O  O18  1  0.463  0.863  0.422  1.0
  O  O19  1  0.511  0.117  0.630  1.0
  O  O20  1  0.627  0.728  0.036  1.0
  O  O21  1  0.585  0.403  0.346  1.0
  O  O22  1  0.781  0.887  0.361  1.0
  O  O23  1  0.939  0.714  0.056  1.0
  O  O24  1  0.895  0.111  0.634  1.0
[/CIF]
.