The compound described by BaMgCuF7 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 Cu(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Mg(1)F6 octahedra, edges with two equivalent Cu(1)F6 octahedra,  a faceface with one Mg(1)F6 octahedra, and  a faceface with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. 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 Cu(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Cu(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 48-54°. Cu(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 CuF6 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 48-54°. 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 Cu(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 Cu(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 Cu(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cu(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 Cu(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 Cu(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 file [CIF]
data_BaMgCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.943
_cell_length_b   5.613
_cell_length_c   9.707
_cell_angle_alpha   86.801
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   540.859
_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  0.320  0.737  0.500  1.0
  Ba  Ba1  1  0.820  0.263  0.000  1.0
  Ba  Ba2  1  0.680  0.263  0.500  1.0
  Ba  Ba3  1  0.180  0.737  1.000  1.0
  Mg  Mg4  1  0.396  0.303  0.809  1.0
  Mg  Mg5  1  0.896  0.697  0.691  1.0
  Mg  Mg6  1  0.104  0.303  0.309  1.0
  Mg  Mg7  1  0.604  0.697  0.191  1.0
  Cu  Cu8  1  0.613  0.806  0.813  1.0
  Cu  Cu9  1  0.387  0.194  0.187  1.0
  Cu  Cu10  1  0.887  0.806  0.313  1.0
  Cu  Cu11  1  0.113  0.194  0.687  1.0
  F  F12  1  0.446  0.892  0.125  1.0
  F  F13  1  0.048  0.634  0.369  1.0
  F  F14  1  0.711  0.531  0.751  1.0
  F  F15  1  0.289  0.469  0.249  1.0
  F  F16  1  0.456  0.113  0.364  1.0
  F  F17  1  0.810  0.740  0.497  1.0
  F  F18  1  0.777  0.974  0.752  1.0
  F  F19  1  0.956  0.887  0.136  1.0
  F  F20  1  0.452  0.634  0.869  1.0
  F  F21  1  0.211  0.469  0.749  1.0
  F  F22  1  0.054  0.892  0.625  1.0
  F  F23  1  0.554  0.108  0.875  1.0
  F  F24  1  0.277  0.026  0.748  1.0
  F  F25  1  0.958  0.616  0.874  1.0
  F  F26  1  0.544  0.887  0.636  1.0
  F  F27  1  0.044  0.113  0.864  1.0
  F  F28  1  0.223  0.026  0.248  1.0
  F  F29  1  0.946  0.108  0.375  1.0
  F  F30  1  0.458  0.384  0.626  1.0
  F  F31  1  0.952  0.366  0.631  1.0
  F  F32  1  0.042  0.384  0.126  1.0
  F  F33  1  0.723  0.974  0.252  1.0
  F  F34  1  0.542  0.616  0.374  1.0
  F  F35  1  0.310  0.260  0.003  1.0
  F  F36  1  0.190  0.260  0.503  1.0
  F  F37  1  0.690  0.740  0.997  1.0
  F  F38  1  0.548  0.366  0.131  1.0
  F  F39  1  0.789  0.531  0.251  1.0
[/CIF]
.
The compound described by BaMgCuF7 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 Cu(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Mg(1)F6 octahedra, edges with two equivalent Cu(1)F6 octahedra,  a faceface with one Mg(1)F6 octahedra, and  a faceface with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. 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 Cu(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Cu(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 48-54°. Cu(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 CuF6 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 48-54°. 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 Cu(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 Cu(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 Cu(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cu(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 Cu(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 Cu(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 file [CIF]
data_BaMgCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.943
_cell_length_b   5.613
_cell_length_c   9.707
_cell_angle_alpha   86.801
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   540.859
_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  0.320  0.737  0.500  1.0
  Ba  Ba1  1  0.820  0.263  0.000  1.0
  Ba  Ba2  1  0.680  0.263  0.500  1.0
  Ba  Ba3  1  0.180  0.737  1.000  1.0
  Mg  Mg4  1  0.396  0.303  0.809  1.0
  Mg  Mg5  1  0.896  0.697  0.691  1.0
  Mg  Mg6  1  0.104  0.303  0.309  1.0
  Mg  Mg7  1  0.604  0.697  0.191  1.0
  Cu  Cu8  1  0.613  0.806  0.813  1.0
  Cu  Cu9  1  0.387  0.194  0.187  1.0
  Cu  Cu10  1  0.887  0.806  0.313  1.0
  Cu  Cu11  1  0.113  0.194  0.687  1.0
  F  F12  1  0.446  0.892  0.125  1.0
  F  F13  1  0.048  0.634  0.369  1.0
  F  F14  1  0.711  0.531  0.751  1.0
  F  F15  1  0.289  0.469  0.249  1.0
  F  F16  1  0.456  0.113  0.364  1.0
  F  F17  1  0.810  0.740  0.497  1.0
  F  F18  1  0.777  0.974  0.752  1.0
  F  F19  1  0.956  0.887  0.136  1.0
  F  F20  1  0.452  0.634  0.869  1.0
  F  F21  1  0.211  0.469  0.749  1.0
  F  F22  1  0.054  0.892  0.625  1.0
  F  F23  1  0.554  0.108  0.875  1.0
  F  F24  1  0.277  0.026  0.748  1.0
  F  F25  1  0.958  0.616  0.874  1.0
  F  F26  1  0.544  0.887  0.636  1.0
  F  F27  1  0.044  0.113  0.864  1.0
  F  F28  1  0.223  0.026  0.248  1.0
  F  F29  1  0.946  0.108  0.375  1.0
  F  F30  1  0.458  0.384  0.626  1.0
  F  F31  1  0.952  0.366  0.631  1.0
  F  F32  1  0.042  0.384  0.126  1.0
  F  F33  1  0.723  0.974  0.252  1.0
  F  F34  1  0.542  0.616  0.374  1.0
  F  F35  1  0.310  0.260  0.003  1.0
  F  F36  1  0.190  0.260  0.503  1.0
  F  F37  1  0.690  0.740  0.997  1.0
  F  F38  1  0.548  0.366  0.131  1.0
  F  F39  1  0.789  0.531  0.251  1.0
[/CIF]
.