The crystal structure described by Ba6MgSc2C2(O3F7)2 crystallizes in the monoclinic Pm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent F(4), two equivalent F(5), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent F(4), and two equivalent F(7) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent F(1), and two equivalent F(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent F(1), two equivalent F(5), and two equivalent F(8) atoms. Mg(1) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(7) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted pentagonal pyramidal geometry to one O(3), one O(4), two equivalent F(5), and two equivalent F(7) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one O(2), one O(6), one F(3), two equivalent F(6), and two equivalent F(8) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(3), one Sc(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(6), one Sc(2), and one C(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Ba(3), one Ba(5), and one Ba(6) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(4), and one Mg(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(5), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(6), and one Sc(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(5), and one Sc(2) atom. In the seventh F site, F(7) is bonded to one Ba(2), one Ba(4), one Mg(1), and one Sc(1) atom to form distorted edge-sharing FBa2MgSc tetrahedra. In the eighth F site, F(8) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom to form distorted edge-sharing FBa3Sc tetrahedra. is represented by the CIF file [CIF]
data_Ba6MgSc2C2(O3F7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   8.997
_cell_length_c   10.902
_cell_angle_alpha   87.226
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.096
_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  0.250  0.828  0.588  1.0
  Ba  Ba1  1  0.750  0.552  0.780  1.0
  Ba  Ba2  1  0.250  0.452  0.224  1.0
  Ba  Ba3  1  0.750  0.005  0.878  1.0
  Ba  Ba4  1  0.250  0.969  0.176  1.0
  Ba  Ba5  1  0.750  0.173  0.405  1.0
  Mg  Mg6  1  0.250  0.304  0.937  1.0
  Sc  Sc7  1  0.250  0.242  0.658  1.0
  Sc  Sc8  1  0.750  0.760  0.296  1.0
  C  C9  1  0.250  0.478  0.521  1.0
  C  C10  1  0.750  0.539  0.472  1.0
  O  O11  1  0.250  0.590  0.448  1.0
  O  O12  1  0.750  0.679  0.501  1.0
  O  O13  1  0.250  0.486  0.641  1.0
  O  O14  1  0.250  0.341  0.481  1.0
  O  O15  1  0.750  0.432  0.554  1.0
  O  O16  1  0.750  0.515  0.354  1.0
  F  F17  1  0.482  0.207  0.228  1.0
  F  F18  1  0.250  0.077  0.947  1.0
  F  F19  1  0.750  0.930  0.126  1.0
  F  F20  1  0.517  0.797  0.781  1.0
  F  F21  1  0.477  0.089  0.611  1.0
  F  F22  1  0.490  0.699  0.194  1.0
  F  F23  1  0.016  0.273  0.795  1.0
  F  F24  1  0.484  0.273  0.795  1.0
  F  F25  1  0.023  0.089  0.611  1.0
  F  F26  1  0.981  0.909  0.372  1.0
  F  F27  1  0.983  0.797  0.781  1.0
  F  F28  1  0.018  0.207  0.228  1.0
  F  F29  1  0.010  0.699  0.194  1.0
  F  F30  1  0.519  0.909  0.372  1.0
[/CIF]
.
The crystal structure described by Ba6MgSc2C2(O3F7)2 crystallizes in the monoclinic Pm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent F(4), two equivalent F(5), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent F(4), and two equivalent F(7) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent F(1), and two equivalent F(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent F(1), two equivalent F(5), and two equivalent F(8) atoms. Mg(1) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(7) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted pentagonal pyramidal geometry to one O(3), one O(4), two equivalent F(5), and two equivalent F(7) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one O(2), one O(6), one F(3), two equivalent F(6), and two equivalent F(8) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(3), one Sc(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(6), one Sc(2), and one C(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Ba(3), one Ba(5), and one Ba(6) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(4), and one Mg(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(5), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(6), and one Sc(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(5), and one Sc(2) atom. In the seventh F site, F(7) is bonded to one Ba(2), one Ba(4), one Mg(1), and one Sc(1) atom to form distorted edge-sharing FBa2MgSc tetrahedra. In the eighth F site, F(8) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom to form distorted edge-sharing FBa3Sc tetrahedra. is represented by the CIF file [CIF]
data_Ba6MgSc2C2(O3F7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   8.997
_cell_length_c   10.902
_cell_angle_alpha   87.226
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.096
_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  0.250  0.828  0.588  1.0
  Ba  Ba1  1  0.750  0.552  0.780  1.0
  Ba  Ba2  1  0.250  0.452  0.224  1.0
  Ba  Ba3  1  0.750  0.005  0.878  1.0
  Ba  Ba4  1  0.250  0.969  0.176  1.0
  Ba  Ba5  1  0.750  0.173  0.405  1.0
  Mg  Mg6  1  0.250  0.304  0.937  1.0
  Sc  Sc7  1  0.250  0.242  0.658  1.0
  Sc  Sc8  1  0.750  0.760  0.296  1.0
  C  C9  1  0.250  0.478  0.521  1.0
  C  C10  1  0.750  0.539  0.472  1.0
  O  O11  1  0.250  0.590  0.448  1.0
  O  O12  1  0.750  0.679  0.501  1.0
  O  O13  1  0.250  0.486  0.641  1.0
  O  O14  1  0.250  0.341  0.481  1.0
  O  O15  1  0.750  0.432  0.554  1.0
  O  O16  1  0.750  0.515  0.354  1.0
  F  F17  1  0.482  0.207  0.228  1.0
  F  F18  1  0.250  0.077  0.947  1.0
  F  F19  1  0.750  0.930  0.126  1.0
  F  F20  1  0.517  0.797  0.781  1.0
  F  F21  1  0.477  0.089  0.611  1.0
  F  F22  1  0.490  0.699  0.194  1.0
  F  F23  1  0.016  0.273  0.795  1.0
  F  F24  1  0.484  0.273  0.795  1.0
  F  F25  1  0.023  0.089  0.611  1.0
  F  F26  1  0.981  0.909  0.372  1.0
  F  F27  1  0.983  0.797  0.781  1.0
  F  F28  1  0.018  0.207  0.228  1.0
  F  F29  1  0.010  0.699  0.194  1.0
  F  F30  1  0.519  0.909  0.372  1.0
[/CIF]
.