The material described by Sr2ScF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), two equivalent F(4), and two equivalent F(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(4), one F(6), one F(7), two equivalent F(2), and two equivalent F(5) atoms. Sc(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the second F site, F(7) is bonded to one Sr(2), two equivalent Sr(1), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. In the third F site, F(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the fourth F site, F(2) is bonded to one Sr(1), two equivalent Sr(2), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. In the fifth F site, F(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the sixth F site, F(4) is bonded to one Sr(2), two equivalent Sr(1), and one Sc(1) atom to form a mixture of distorted corner and edge-sharing FSr3Sc tetrahedra. In the seventh F site, F(5) is bonded to one Sr(1), two equivalent Sr(2), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. is represented by the CIF card [CIF]
data_Sr2ScF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.200
_cell_length_b   5.426
_cell_length_c   8.238
_cell_angle_alpha   89.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.274
_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
  Sr  Sr0  1  0.562  0.237  0.676  1.0
  Sr  Sr1  1  0.062  0.763  0.824  1.0
  Sr  Sr2  1  0.438  0.763  0.324  1.0
  Sr  Sr3  1  0.938  0.237  0.176  1.0
  Sr  Sr4  1  0.221  0.237  0.553  1.0
  Sr  Sr5  1  0.721  0.763  0.947  1.0
  Sr  Sr6  1  0.779  0.763  0.447  1.0
  Sr  Sr7  1  0.279  0.237  0.053  1.0
  Sc  Sc8  1  0.125  0.722  0.285  1.0
  Sc  Sc9  1  0.625  0.278  0.215  1.0
  Sc  Sc10  1  0.875  0.278  0.715  1.0
  Sc  Sc11  1  0.375  0.722  0.785  1.0
  F  F12  1  0.138  0.794  0.528  1.0
  F  F13  1  0.638  0.206  0.972  1.0
  F  F14  1  0.862  0.206  0.472  1.0
  F  F15  1  0.362  0.794  0.028  1.0
  F  F16  1  0.254  0.986  0.305  1.0
  F  F17  1  0.754  0.014  0.195  1.0
  F  F18  1  0.746  0.014  0.695  1.0
  F  F19  1  0.246  0.986  0.805  1.0
  F  F20  1  0.039  0.204  0.712  1.0
  F  F21  1  0.539  0.796  0.788  1.0
  F  F22  1  0.961  0.796  0.288  1.0
  F  F23  1  0.461  0.204  0.212  1.0
  F  F24  1  0.105  0.509  0.076  1.0
  F  F25  1  0.605  0.491  0.424  1.0
  F  F26  1  0.895  0.491  0.924  1.0
  F  F27  1  0.395  0.509  0.576  1.0
  F  F28  1  0.231  0.510  0.797  1.0
  F  F29  1  0.731  0.490  0.703  1.0
  F  F30  1  0.769  0.490  0.203  1.0
  F  F31  1  0.269  0.510  0.297  1.0
  F  F32  1  0.426  0.380  0.873  1.0
  F  F33  1  0.926  0.620  0.627  1.0
  F  F34  1  0.574  0.620  0.127  1.0
  F  F35  1  0.074  0.380  0.373  1.0
  F  F36  1  0.104  0.985  0.091  1.0
  F  F37  1  0.604  0.015  0.409  1.0
  F  F38  1  0.896  0.015  0.909  1.0
  F  F39  1  0.396  0.985  0.591  1.0
[/CIF]
.
The material described by Sr2ScF7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), two equivalent F(4), and two equivalent F(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(4), one F(6), one F(7), two equivalent F(2), and two equivalent F(5) atoms. Sc(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the second F site, F(7) is bonded to one Sr(2), two equivalent Sr(1), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. In the third F site, F(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the fourth F site, F(2) is bonded to one Sr(1), two equivalent Sr(2), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. In the fifth F site, F(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Sc(1) atom. In the sixth F site, F(4) is bonded to one Sr(2), two equivalent Sr(1), and one Sc(1) atom to form a mixture of distorted corner and edge-sharing FSr3Sc tetrahedra. In the seventh F site, F(5) is bonded to one Sr(1), two equivalent Sr(2), and one Sc(1) atom to form a mixture of corner and edge-sharing FSr3Sc tetrahedra. is represented by the CIF card [CIF]
data_Sr2ScF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.200
_cell_length_b   5.426
_cell_length_c   8.238
_cell_angle_alpha   89.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.274
_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
  Sr  Sr0  1  0.562  0.237  0.676  1.0
  Sr  Sr1  1  0.062  0.763  0.824  1.0
  Sr  Sr2  1  0.438  0.763  0.324  1.0
  Sr  Sr3  1  0.938  0.237  0.176  1.0
  Sr  Sr4  1  0.221  0.237  0.553  1.0
  Sr  Sr5  1  0.721  0.763  0.947  1.0
  Sr  Sr6  1  0.779  0.763  0.447  1.0
  Sr  Sr7  1  0.279  0.237  0.053  1.0
  Sc  Sc8  1  0.125  0.722  0.285  1.0
  Sc  Sc9  1  0.625  0.278  0.215  1.0
  Sc  Sc10  1  0.875  0.278  0.715  1.0
  Sc  Sc11  1  0.375  0.722  0.785  1.0
  F  F12  1  0.138  0.794  0.528  1.0
  F  F13  1  0.638  0.206  0.972  1.0
  F  F14  1  0.862  0.206  0.472  1.0
  F  F15  1  0.362  0.794  0.028  1.0
  F  F16  1  0.254  0.986  0.305  1.0
  F  F17  1  0.754  0.014  0.195  1.0
  F  F18  1  0.746  0.014  0.695  1.0
  F  F19  1  0.246  0.986  0.805  1.0
  F  F20  1  0.039  0.204  0.712  1.0
  F  F21  1  0.539  0.796  0.788  1.0
  F  F22  1  0.961  0.796  0.288  1.0
  F  F23  1  0.461  0.204  0.212  1.0
  F  F24  1  0.105  0.509  0.076  1.0
  F  F25  1  0.605  0.491  0.424  1.0
  F  F26  1  0.895  0.491  0.924  1.0
  F  F27  1  0.395  0.509  0.576  1.0
  F  F28  1  0.231  0.510  0.797  1.0
  F  F29  1  0.731  0.490  0.703  1.0
  F  F30  1  0.769  0.490  0.203  1.0
  F  F31  1  0.269  0.510  0.297  1.0
  F  F32  1  0.426  0.380  0.873  1.0
  F  F33  1  0.926  0.620  0.627  1.0
  F  F34  1  0.574  0.620  0.127  1.0
  F  F35  1  0.074  0.380  0.373  1.0
  F  F36  1  0.104  0.985  0.091  1.0
  F  F37  1  0.604  0.015  0.409  1.0
  F  F38  1  0.896  0.015  0.909  1.0
  F  F39  1  0.396  0.985  0.591  1.0
[/CIF]
.