The compound described by Sr2Cu(OF)2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form OSr4 tetrahedra that share corners with six equivalent F(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr4 tetrahedra,  an edgeedge with one F(2)Sr4Cu2 octahedra, and edges with four equivalent F(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-72°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form FSr4 tetrahedra that share corners with six equivalent F(2)Sr4Cu2 octahedra, corners with four equivalent F(1)Sr4 tetrahedra,  an edgeedge with one F(2)Sr4Cu2 octahedra, and edges with four equivalent O(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-71°. In the second F site, F(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form FSr4Cu2 octahedra that share corners with two equivalent F(2)Sr4Cu2 octahedra, corners with six equivalent O(1)Sr4 tetrahedra, corners with six equivalent F(1)Sr4 tetrahedra, edges with two equivalent F(2)Sr4Cu2 octahedra,  an edgeedge with one O(1)Sr4 tetrahedra, and  an edgeedge with one F(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the CIF file [CIF]
data_Sr2Cu(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   7.009
_cell_angle_alpha   148.232
_cell_angle_beta   143.308
_cell_angle_gamma   49.304
_symmetry_Int_Tables_number   1
_cell_volume   107.835
_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
  Sr  Sr0  1  0.654  0.654  0.000  1.0
  Sr  Sr1  1  0.351  0.351  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.762  0.262  0.500  1.0
  O  O4  1  0.005  0.505  0.500  1.0
  F  F5  1  0.239  0.739  0.500  1.0
  F  F6  1  0.489  0.989  0.500  1.0
[/CIF]
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The compound described by Sr2Cu(OF)2 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form OSr4 tetrahedra that share corners with six equivalent F(2)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr4 tetrahedra,  an edgeedge with one F(2)Sr4Cu2 octahedra, and edges with four equivalent F(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-72°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Sr(1) and two equivalent Sr(2) atoms to form FSr4 tetrahedra that share corners with six equivalent F(2)Sr4Cu2 octahedra, corners with four equivalent F(1)Sr4 tetrahedra,  an edgeedge with one F(2)Sr4Cu2 octahedra, and edges with four equivalent O(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-71°. In the second F site, F(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form FSr4Cu2 octahedra that share corners with two equivalent F(2)Sr4Cu2 octahedra, corners with six equivalent O(1)Sr4 tetrahedra, corners with six equivalent F(1)Sr4 tetrahedra, edges with two equivalent F(2)Sr4Cu2 octahedra,  an edgeedge with one O(1)Sr4 tetrahedra, and  an edgeedge with one F(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the CIF file [CIF]
data_Sr2Cu(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   7.009
_cell_angle_alpha   148.232
_cell_angle_beta   143.308
_cell_angle_gamma   49.304
_symmetry_Int_Tables_number   1
_cell_volume   107.835
_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
  Sr  Sr0  1  0.654  0.654  0.000  1.0
  Sr  Sr1  1  0.351  0.351  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.762  0.262  0.500  1.0
  O  O4  1  0.005  0.505  0.500  1.0
  F  F5  1  0.239  0.739  0.500  1.0
  F  F6  1  0.489  0.989  0.500  1.0
[/CIF]
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