The material structure described by Ba6Mg7F26 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent F(5), two equivalent F(7), four equivalent F(1), and four equivalent F(2) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra,  a faceface with one Ba(1)F12 cuboctahedra, faces with two equivalent Mg(2)F6 octahedra, faces with two equivalent Mg(3)F6 octahedra, and faces with two equivalent Mg(4)F6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one F(5), one F(6), two equivalent F(2), two equivalent F(3), two equivalent F(7), and four equivalent F(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Mg site, Mg(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(7) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Mg(4)F6 octahedra, and faces with two equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the third Mg site, Mg(3) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form distorted MgF6 octahedra that share  a cornercorner with one Mg(4)F6 octahedra, corners with two equivalent Mg(1)F6 octahedra, and faces with two equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the fourth Mg site, Mg(4) is bonded to two equivalent F(5) and four equivalent F(2) atoms to form MgF6 octahedra that share corners with two equivalent Mg(3)F6 octahedra, corners with four equivalent Mg(2)F6 octahedra, and faces with four equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are seven inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(2), and one Mg(4) atom. In the second F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one Mg(2) atom. In the third F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the fourth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(3), and one Mg(4) atom. In the fifth F site, F(6) is bonded in an L-shaped geometry to two equivalent Ba(2) and two equivalent Mg(1) atoms. In the sixth F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Mg(2) atom. In the seventh F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Mg(3) atom. is represented by the CIF card [CIF]
data_Ba6Mg7F26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.111
_cell_length_b   10.111
_cell_length_c   10.111
_cell_angle_alpha   146.441
_cell_angle_beta   106.206
_cell_angle_gamma   83.545
_symmetry_Int_Tables_number   1
_cell_volume   534.447
_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  0.647  0.147  0.500  1.0
  Ba  Ba1  1  0.353  0.853  0.500  1.0
  Ba  Ba2  1  0.389  0.649  0.740  1.0
  Ba  Ba3  1  0.909  0.649  0.260  1.0
  Ba  Ba4  1  0.091  0.351  0.740  1.0
  Ba  Ba5  1  0.611  0.351  0.260  1.0
  Mg  Mg6  1  0.000  0.253  0.253  1.0
  Mg  Mg7  1  0.268  1.000  0.268  1.0
  Mg  Mg8  1  1.000  0.747  0.747  1.0
  Mg  Mg9  1  0.732  0.000  0.732  1.0
  Mg  Mg10  1  0.221  0.221  0.000  1.0
  Mg  Mg11  1  0.779  0.779  1.000  1.0
  Mg  Mg12  1  0.500  0.500  0.000  1.0
  F  F13  1  0.129  0.011  0.655  1.0
  F  F14  1  0.871  0.526  0.882  1.0
  F  F15  1  0.644  0.989  0.118  1.0
  F  F16  1  0.356  0.474  0.345  1.0
  F  F17  1  0.871  0.989  0.345  1.0
  F  F18  1  0.129  0.474  0.118  1.0
  F  F19  1  0.356  0.011  0.882  1.0
  F  F20  1  0.644  0.526  0.655  1.0
  F  F21  1  0.612  0.749  0.362  1.0
  F  F22  1  0.388  0.749  0.137  1.0
  F  F23  1  0.612  0.251  0.863  1.0
  F  F24  1  0.388  0.251  0.638  1.0
  F  F25  1  0.837  0.744  0.581  1.0
  F  F26  1  0.163  0.744  0.907  1.0
  F  F27  1  0.837  0.256  0.093  1.0
  F  F28  1  0.163  0.256  0.419  1.0
  F  F29  1  0.911  0.911  0.000  1.0
  F  F30  1  0.089  0.089  1.000  1.0
  F  F31  1  0.630  0.630  0.000  1.0
  F  F32  1  0.912  0.412  0.500  1.0
  F  F33  1  0.847  0.127  0.720  1.0
  F  F34  1  0.153  0.873  0.280  1.0
  F  F35  1  0.593  0.873  0.720  1.0
  F  F36  1  0.407  0.127  0.280  1.0
  F  F37  1  0.088  0.588  0.500  1.0
  F  F38  1  0.370  0.370  1.000  1.0
[/CIF]
.
The material structure described by Ba6Mg7F26 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent F(5), two equivalent F(7), four equivalent F(1), and four equivalent F(2) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra,  a faceface with one Ba(1)F12 cuboctahedra, faces with two equivalent Mg(2)F6 octahedra, faces with two equivalent Mg(3)F6 octahedra, and faces with two equivalent Mg(4)F6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one F(5), one F(6), two equivalent F(2), two equivalent F(3), two equivalent F(7), and four equivalent F(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Mg site, Mg(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(7) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with two equivalent Mg(4)F6 octahedra, and faces with two equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the third Mg site, Mg(3) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form distorted MgF6 octahedra that share  a cornercorner with one Mg(4)F6 octahedra, corners with two equivalent Mg(1)F6 octahedra, and faces with two equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the fourth Mg site, Mg(4) is bonded to two equivalent F(5) and four equivalent F(2) atoms to form MgF6 octahedra that share corners with two equivalent Mg(3)F6 octahedra, corners with four equivalent Mg(2)F6 octahedra, and faces with four equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are seven inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(2), and one Mg(4) atom. In the second F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one Mg(2) atom. In the third F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the fourth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(3), and one Mg(4) atom. In the fifth F site, F(6) is bonded in an L-shaped geometry to two equivalent Ba(2) and two equivalent Mg(1) atoms. In the sixth F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Mg(2) atom. In the seventh F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Mg(3) atom. is represented by the CIF card [CIF]
data_Ba6Mg7F26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.111
_cell_length_b   10.111
_cell_length_c   10.111
_cell_angle_alpha   146.441
_cell_angle_beta   106.206
_cell_angle_gamma   83.545
_symmetry_Int_Tables_number   1
_cell_volume   534.447
_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  0.647  0.147  0.500  1.0
  Ba  Ba1  1  0.353  0.853  0.500  1.0
  Ba  Ba2  1  0.389  0.649  0.740  1.0
  Ba  Ba3  1  0.909  0.649  0.260  1.0
  Ba  Ba4  1  0.091  0.351  0.740  1.0
  Ba  Ba5  1  0.611  0.351  0.260  1.0
  Mg  Mg6  1  0.000  0.253  0.253  1.0
  Mg  Mg7  1  0.268  1.000  0.268  1.0
  Mg  Mg8  1  1.000  0.747  0.747  1.0
  Mg  Mg9  1  0.732  0.000  0.732  1.0
  Mg  Mg10  1  0.221  0.221  0.000  1.0
  Mg  Mg11  1  0.779  0.779  1.000  1.0
  Mg  Mg12  1  0.500  0.500  0.000  1.0
  F  F13  1  0.129  0.011  0.655  1.0
  F  F14  1  0.871  0.526  0.882  1.0
  F  F15  1  0.644  0.989  0.118  1.0
  F  F16  1  0.356  0.474  0.345  1.0
  F  F17  1  0.871  0.989  0.345  1.0
  F  F18  1  0.129  0.474  0.118  1.0
  F  F19  1  0.356  0.011  0.882  1.0
  F  F20  1  0.644  0.526  0.655  1.0
  F  F21  1  0.612  0.749  0.362  1.0
  F  F22  1  0.388  0.749  0.137  1.0
  F  F23  1  0.612  0.251  0.863  1.0
  F  F24  1  0.388  0.251  0.638  1.0
  F  F25  1  0.837  0.744  0.581  1.0
  F  F26  1  0.163  0.744  0.907  1.0
  F  F27  1  0.837  0.256  0.093  1.0
  F  F28  1  0.163  0.256  0.419  1.0
  F  F29  1  0.911  0.911  0.000  1.0
  F  F30  1  0.089  0.089  1.000  1.0
  F  F31  1  0.630  0.630  0.000  1.0
  F  F32  1  0.912  0.412  0.500  1.0
  F  F33  1  0.847  0.127  0.720  1.0
  F  F34  1  0.153  0.873  0.280  1.0
  F  F35  1  0.593  0.873  0.720  1.0
  F  F36  1  0.407  0.127  0.280  1.0
  F  F37  1  0.088  0.588  0.500  1.0
  F  F38  1  0.370  0.370  1.000  1.0
[/CIF]
.