The material described by BaMgNiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Mg(1)F6 octahedra, corners with three equivalent Ni(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Mg(1)F6 octahedra, edges with two equivalent Ni(1)F6 octahedra,  a faceface with one Mg(1)F6 octahedra, and  a faceface with one Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form MgF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Ni(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Ni(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 46-52°. Ni(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form NiF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Mg(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Mg(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ni(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Mg(1) atom. is represented by the CIF card [CIF]
data_BaMgNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.919
_cell_length_b   5.618
_cell_length_c   9.616
_cell_angle_alpha   86.842
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.026
_cell_formula_units_Z   4
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  0.319  0.736  0.501  1.0
  Ba  Ba1  1  0.819  0.264  0.999  1.0
  Ba  Ba2  1  0.681  0.264  0.499  1.0
  Ba  Ba3  1  0.181  0.736  0.001  1.0
  Mg  Mg4  1  0.397  0.302  0.811  1.0
  Mg  Mg5  1  0.897  0.698  0.689  1.0
  Mg  Mg6  1  0.103  0.302  0.311  1.0
  Mg  Mg7  1  0.603  0.698  0.189  1.0
  Ni  Ni8  1  0.613  0.806  0.811  1.0
  Ni  Ni9  1  0.387  0.194  0.189  1.0
  Ni  Ni10  1  0.887  0.806  0.311  1.0
  Ni  Ni11  1  0.113  0.194  0.689  1.0
  F  F12  1  0.447  0.891  0.127  1.0
  F  F13  1  0.047  0.628  0.367  1.0
  F  F14  1  0.711  0.531  0.750  1.0
  F  F15  1  0.289  0.469  0.250  1.0
  F  F16  1  0.455  0.117  0.364  1.0
  F  F17  1  0.813  0.744  0.495  1.0
  F  F18  1  0.779  0.976  0.751  1.0
  F  F19  1  0.955  0.883  0.136  1.0
  F  F20  1  0.453  0.628  0.867  1.0
  F  F21  1  0.211  0.469  0.750  1.0
  F  F22  1  0.053  0.891  0.627  1.0
  F  F23  1  0.553  0.109  0.873  1.0
  F  F24  1  0.279  0.024  0.749  1.0
  F  F25  1  0.957  0.621  0.876  1.0
  F  F26  1  0.545  0.883  0.636  1.0
  F  F27  1  0.045  0.117  0.864  1.0
  F  F28  1  0.221  0.024  0.249  1.0
  F  F29  1  0.947  0.109  0.373  1.0
  F  F30  1  0.457  0.379  0.624  1.0
  F  F31  1  0.953  0.372  0.633  1.0
  F  F32  1  0.043  0.379  0.124  1.0
  F  F33  1  0.721  0.976  0.251  1.0
  F  F34  1  0.543  0.621  0.376  1.0
  F  F35  1  0.313  0.256  0.005  1.0
  F  F36  1  0.187  0.256  0.505  1.0
  F  F37  1  0.687  0.744  0.995  1.0
  F  F38  1  0.547  0.372  0.133  1.0
  F  F39  1  0.789  0.531  0.250  1.0
[/CIF]
.
The material described by BaMgNiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Mg(1)F6 octahedra, corners with three equivalent Ni(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Mg(1)F6 octahedra, edges with two equivalent Ni(1)F6 octahedra,  a faceface with one Mg(1)F6 octahedra, and  a faceface with one Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form MgF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Ni(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Ni(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 46-52°. Ni(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form NiF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Mg(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Mg(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ni(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Mg(1), and one Ni(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Mg(1) atom. is represented by the CIF card [CIF]
data_BaMgNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.919
_cell_length_b   5.618
_cell_length_c   9.616
_cell_angle_alpha   86.842
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.026
_cell_formula_units_Z   4
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  0.319  0.736  0.501  1.0
  Ba  Ba1  1  0.819  0.264  0.999  1.0
  Ba  Ba2  1  0.681  0.264  0.499  1.0
  Ba  Ba3  1  0.181  0.736  0.001  1.0
  Mg  Mg4  1  0.397  0.302  0.811  1.0
  Mg  Mg5  1  0.897  0.698  0.689  1.0
  Mg  Mg6  1  0.103  0.302  0.311  1.0
  Mg  Mg7  1  0.603  0.698  0.189  1.0
  Ni  Ni8  1  0.613  0.806  0.811  1.0
  Ni  Ni9  1  0.387  0.194  0.189  1.0
  Ni  Ni10  1  0.887  0.806  0.311  1.0
  Ni  Ni11  1  0.113  0.194  0.689  1.0
  F  F12  1  0.447  0.891  0.127  1.0
  F  F13  1  0.047  0.628  0.367  1.0
  F  F14  1  0.711  0.531  0.750  1.0
  F  F15  1  0.289  0.469  0.250  1.0
  F  F16  1  0.455  0.117  0.364  1.0
  F  F17  1  0.813  0.744  0.495  1.0
  F  F18  1  0.779  0.976  0.751  1.0
  F  F19  1  0.955  0.883  0.136  1.0
  F  F20  1  0.453  0.628  0.867  1.0
  F  F21  1  0.211  0.469  0.750  1.0
  F  F22  1  0.053  0.891  0.627  1.0
  F  F23  1  0.553  0.109  0.873  1.0
  F  F24  1  0.279  0.024  0.749  1.0
  F  F25  1  0.957  0.621  0.876  1.0
  F  F26  1  0.545  0.883  0.636  1.0
  F  F27  1  0.045  0.117  0.864  1.0
  F  F28  1  0.221  0.024  0.249  1.0
  F  F29  1  0.947  0.109  0.373  1.0
  F  F30  1  0.457  0.379  0.624  1.0
  F  F31  1  0.953  0.372  0.633  1.0
  F  F32  1  0.043  0.379  0.124  1.0
  F  F33  1  0.721  0.976  0.251  1.0
  F  F34  1  0.543  0.621  0.376  1.0
  F  F35  1  0.313  0.256  0.005  1.0
  F  F36  1  0.187  0.256  0.505  1.0
  F  F37  1  0.687  0.744  0.995  1.0
  F  F38  1  0.547  0.372  0.133  1.0
  F  F39  1  0.789  0.531  0.250  1.0
[/CIF]
.