The material 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 in a distorted q6 geometry to one O(10), one O(13), one O(4), two equivalent O(1), two equivalent O(3), two equivalent O(6), 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 in a distorted trigonal planar geometry to one O(1), one O(5), and one O(8) atom. 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 NbO6 octahedra that share  a cornercorner with one Nb(4)NO5 octahedra,  a cornercorner with one Nb(6)NO5 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. 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 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 2-3°. 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 NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(6)NO5 octahedra, and  an edgeedge with one Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. 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 linear geometry to 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 linear 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 distorted T-shaped geometry to one Nb(2) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nb(2), and one Nb(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Nb(1), one Nb(3), and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Nb(1), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), 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 Nb(2) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), one Mg(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 in a distorted linear geometry to one Ba(1), 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 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 Ba(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   8.941
_cell_length_b   10.614
_cell_length_c   4.067
_cell_angle_alpha   78.948
_cell_angle_beta   90.012
_cell_angle_gamma   91.278
_symmetry_Int_Tables_number   1
_cell_volume   378.687
_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  0.252  0.726  0.135  1.0
  Ba  Ba1  1  0.740  0.031  0.983  1.0
  Mg  Mg2  1  0.257  0.993  0.501  1.0
  Nb  Nb3  1  0.042  0.274  0.361  1.0
  Nb  Nb4  1  0.243  0.460  0.768  1.0
  Nb  Nb5  1  0.449  0.281  0.358  1.0
  Nb  Nb6  1  0.570  0.732  0.632  1.0
  Nb  Nb7  1  0.762  0.540  0.228  1.0
  Nb  Nb8  1  0.928  0.735  0.631  1.0
  N  N9  1  0.747  0.600  0.698  1.0
  N  N10  1  0.909  0.419  0.288  1.0
  O  O11  1  0.094  0.866  0.566  1.0
  O  O12  1  0.087  0.299  0.848  1.0
  O  O13  1  0.095  0.594  0.701  1.0
  O  O14  1  0.248  0.440  0.278  1.0
  O  O15  1  0.249  0.175  0.410  1.0
  O  O16  1  0.402  0.597  0.699  1.0
  O  O17  1  0.409  0.310  0.843  1.0
  O  O18  1  0.418  0.871  0.561  1.0
  O  O19  1  0.570  0.143  0.427  1.0
  O  O20  1  0.574  0.729  0.133  1.0
  O  O21  1  0.587  0.425  0.285  1.0
  O  O22  1  0.755  0.859  0.568  1.0
  O  O23  1  0.923  0.724  0.136  1.0
  O  O24  1  0.915  0.135  0.430  1.0
[/CIF]
.
The material 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 in a distorted q6 geometry to one O(10), one O(13), one O(4), two equivalent O(1), two equivalent O(3), two equivalent O(6), 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 in a distorted trigonal planar geometry to one O(1), one O(5), and one O(8) atom. 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 NbO6 octahedra that share  a cornercorner with one Nb(4)NO5 octahedra,  a cornercorner with one Nb(6)NO5 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. 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 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 2-3°. 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 NbNO5 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(6)NO5 octahedra, and  an edgeedge with one Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. 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 linear geometry to 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 linear 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 distorted T-shaped geometry to one Nb(2) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nb(2), and one Nb(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Nb(1), one Nb(3), and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Nb(1), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), 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 Nb(2) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), one Mg(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 in a distorted linear geometry to one Ba(1), 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 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 Ba(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   8.941
_cell_length_b   10.614
_cell_length_c   4.067
_cell_angle_alpha   78.948
_cell_angle_beta   90.012
_cell_angle_gamma   91.278
_symmetry_Int_Tables_number   1
_cell_volume   378.687
_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  0.252  0.726  0.135  1.0
  Ba  Ba1  1  0.740  0.031  0.983  1.0
  Mg  Mg2  1  0.257  0.993  0.501  1.0
  Nb  Nb3  1  0.042  0.274  0.361  1.0
  Nb  Nb4  1  0.243  0.460  0.768  1.0
  Nb  Nb5  1  0.449  0.281  0.358  1.0
  Nb  Nb6  1  0.570  0.732  0.632  1.0
  Nb  Nb7  1  0.762  0.540  0.228  1.0
  Nb  Nb8  1  0.928  0.735  0.631  1.0
  N  N9  1  0.747  0.600  0.698  1.0
  N  N10  1  0.909  0.419  0.288  1.0
  O  O11  1  0.094  0.866  0.566  1.0
  O  O12  1  0.087  0.299  0.848  1.0
  O  O13  1  0.095  0.594  0.701  1.0
  O  O14  1  0.248  0.440  0.278  1.0
  O  O15  1  0.249  0.175  0.410  1.0
  O  O16  1  0.402  0.597  0.699  1.0
  O  O17  1  0.409  0.310  0.843  1.0
  O  O18  1  0.418  0.871  0.561  1.0
  O  O19  1  0.570  0.143  0.427  1.0
  O  O20  1  0.574  0.729  0.133  1.0
  O  O21  1  0.587  0.425  0.285  1.0
  O  O22  1  0.755  0.859  0.568  1.0
  O  O23  1  0.923  0.724  0.136  1.0
  O  O24  1  0.915  0.135  0.430  1.0
[/CIF]
.