The material described by BaMgTiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry 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. 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 Ti(1)F6 octahedra and  an edgeedge with one Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ti(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 TiF6 octahedra that share corners with three equivalent Mg(1)F6 octahedra and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. 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 Ti(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 Ti(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 Ti(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mg(1), and one Ti(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 Ti(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_BaMgTiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.017
_cell_length_b   5.713
_cell_length_c   9.685
_cell_angle_alpha   86.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.468
_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  0.318  0.732  0.499  1.0
  Ba  Ba1  1  0.818  0.268  0.001  1.0
  Ba  Ba2  1  0.682  0.268  0.501  1.0
  Ba  Ba3  1  0.182  0.732  0.999  1.0
  Mg  Mg4  1  0.395  0.307  0.810  1.0
  Mg  Mg5  1  0.895  0.693  0.690  1.0
  Mg  Mg6  1  0.105  0.307  0.310  1.0
  Mg  Mg7  1  0.605  0.693  0.190  1.0
  Ti  Ti8  1  0.610  0.806  0.812  1.0
  Ti  Ti9  1  0.390  0.194  0.188  1.0
  Ti  Ti10  1  0.890  0.806  0.312  1.0
  Ti  Ti11  1  0.110  0.194  0.688  1.0
  F  F12  1  0.449  0.879  0.125  1.0
  F  F13  1  0.054  0.626  0.372  1.0
  F  F14  1  0.715  0.521  0.749  1.0
  F  F15  1  0.285  0.478  0.251  1.0
  F  F16  1  0.456  0.109  0.368  1.0
  F  F17  1  0.810  0.742  0.497  1.0
  F  F18  1  0.784  0.973  0.750  1.0
  F  F19  1  0.956  0.891  0.132  1.0
  F  F20  1  0.446  0.626  0.872  1.0
  F  F21  1  0.215  0.478  0.751  1.0
  F  F22  1  0.051  0.879  0.625  1.0
  F  F23  1  0.551  0.121  0.875  1.0
  F  F24  1  0.284  0.027  0.750  1.0
  F  F25  1  0.959  0.612  0.875  1.0
  F  F26  1  0.544  0.891  0.632  1.0
  F  F27  1  0.044  0.109  0.868  1.0
  F  F28  1  0.216  0.027  0.250  1.0
  F  F29  1  0.949  0.121  0.375  1.0
  F  F30  1  0.459  0.388  0.625  1.0
  F  F31  1  0.946  0.374  0.628  1.0
  F  F32  1  0.041  0.388  0.125  1.0
  F  F33  1  0.716  0.973  0.250  1.0
  F  F34  1  0.541  0.612  0.375  1.0
  F  F35  1  0.310  0.258  0.003  1.0
  F  F36  1  0.190  0.258  0.503  1.0
  F  F37  1  0.690  0.742  0.997  1.0
  F  F38  1  0.554  0.374  0.128  1.0
  F  F39  1  0.785  0.521  0.249  1.0
[/CIF]
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The material described by BaMgTiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry 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. 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 Ti(1)F6 octahedra and  an edgeedge with one Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ti(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 TiF6 octahedra that share corners with three equivalent Mg(1)F6 octahedra and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. 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 Ti(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 Ti(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 Ti(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mg(1), and one Ti(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 Ti(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_BaMgTiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.017
_cell_length_b   5.713
_cell_length_c   9.685
_cell_angle_alpha   86.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.468
_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  0.318  0.732  0.499  1.0
  Ba  Ba1  1  0.818  0.268  0.001  1.0
  Ba  Ba2  1  0.682  0.268  0.501  1.0
  Ba  Ba3  1  0.182  0.732  0.999  1.0
  Mg  Mg4  1  0.395  0.307  0.810  1.0
  Mg  Mg5  1  0.895  0.693  0.690  1.0
  Mg  Mg6  1  0.105  0.307  0.310  1.0
  Mg  Mg7  1  0.605  0.693  0.190  1.0
  Ti  Ti8  1  0.610  0.806  0.812  1.0
  Ti  Ti9  1  0.390  0.194  0.188  1.0
  Ti  Ti10  1  0.890  0.806  0.312  1.0
  Ti  Ti11  1  0.110  0.194  0.688  1.0
  F  F12  1  0.449  0.879  0.125  1.0
  F  F13  1  0.054  0.626  0.372  1.0
  F  F14  1  0.715  0.521  0.749  1.0
  F  F15  1  0.285  0.478  0.251  1.0
  F  F16  1  0.456  0.109  0.368  1.0
  F  F17  1  0.810  0.742  0.497  1.0
  F  F18  1  0.784  0.973  0.750  1.0
  F  F19  1  0.956  0.891  0.132  1.0
  F  F20  1  0.446  0.626  0.872  1.0
  F  F21  1  0.215  0.478  0.751  1.0
  F  F22  1  0.051  0.879  0.625  1.0
  F  F23  1  0.551  0.121  0.875  1.0
  F  F24  1  0.284  0.027  0.750  1.0
  F  F25  1  0.959  0.612  0.875  1.0
  F  F26  1  0.544  0.891  0.632  1.0
  F  F27  1  0.044  0.109  0.868  1.0
  F  F28  1  0.216  0.027  0.250  1.0
  F  F29  1  0.949  0.121  0.375  1.0
  F  F30  1  0.459  0.388  0.625  1.0
  F  F31  1  0.946  0.374  0.628  1.0
  F  F32  1  0.041  0.388  0.125  1.0
  F  F33  1  0.716  0.973  0.250  1.0
  F  F34  1  0.541  0.612  0.375  1.0
  F  F35  1  0.310  0.258  0.003  1.0
  F  F36  1  0.190  0.258  0.503  1.0
  F  F37  1  0.690  0.742  0.997  1.0
  F  F38  1  0.554  0.374  0.128  1.0
  F  F39  1  0.785  0.521  0.249  1.0
[/CIF]
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