The structure described by Sr2CuF6 crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Cu(1) atom. In the second F site, F(2) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   5.715
_cell_length_c   8.690
_cell_angle_alpha   90.000
_cell_angle_beta   109.213
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.208
_cell_formula_units_Z   2
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  0.662  0.500  0.323  1.0
  Sr  Sr1  1  0.162  0.000  0.323  1.0
  Sr  Sr2  1  0.838  0.000  0.677  1.0
  Sr  Sr3  1  0.338  0.500  0.677  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.752  0.332  0.839  1.0
  F  F7  1  0.994  0.250  0.500  1.0
  F  F8  1  0.506  0.750  0.500  1.0
  F  F9  1  0.248  0.668  0.161  1.0
  F  F10  1  0.006  0.750  0.500  1.0
  F  F11  1  0.087  0.668  0.839  1.0
  F  F12  1  0.748  0.832  0.161  1.0
  F  F13  1  0.587  0.832  0.839  1.0
  F  F14  1  0.494  0.250  0.500  1.0
  F  F15  1  0.413  0.168  0.161  1.0
  F  F16  1  0.252  0.168  0.839  1.0
  F  F17  1  0.913  0.332  0.161  1.0
[/CIF]
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The structure described by Sr2CuF6 crystallizes in the orthorhombic Cmce space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Cu(1) atom. In the second F site, F(2) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   5.715
_cell_length_c   8.690
_cell_angle_alpha   90.000
_cell_angle_beta   109.213
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.208
_cell_formula_units_Z   2
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  0.662  0.500  0.323  1.0
  Sr  Sr1  1  0.162  0.000  0.323  1.0
  Sr  Sr2  1  0.838  0.000  0.677  1.0
  Sr  Sr3  1  0.338  0.500  0.677  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.752  0.332  0.839  1.0
  F  F7  1  0.994  0.250  0.500  1.0
  F  F8  1  0.506  0.750  0.500  1.0
  F  F9  1  0.248  0.668  0.161  1.0
  F  F10  1  0.006  0.750  0.500  1.0
  F  F11  1  0.087  0.668  0.839  1.0
  F  F12  1  0.748  0.832  0.161  1.0
  F  F13  1  0.587  0.832  0.839  1.0
  F  F14  1  0.494  0.250  0.500  1.0
  F  F15  1  0.413  0.168  0.161  1.0
  F  F16  1  0.252  0.168  0.839  1.0
  F  F17  1  0.913  0.332  0.161  1.0
[/CIF]
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