The material described by SrF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Sr(1) atoms to form distorted FSr5 square pyramids that share corners with eight equivalent F(2)Sr5 square pyramids, corners with eight equivalent F(1)Sr4 tetrahedra, edges with six equivalent F(2)Sr5 square pyramids, and edges with six equivalent F(1)Sr4 tetrahedra. In the second F site, F(1) is bonded to four equivalent Sr(1) atoms to form FSr4 tetrahedra that share corners with eight equivalent F(2)Sr5 square pyramids, corners with eight equivalent F(1)Sr4 tetrahedra, edges with six equivalent F(2)Sr5 square pyramids, and edges with two equivalent F(1)Sr4 tetrahedra. is represented by the CIF card [CIF]
data_SrF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.781
_cell_length_b   6.280
_cell_length_c   7.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.333
_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  0.750  0.252  0.614  1.0
  Sr  Sr1  1  0.750  0.752  0.886  1.0
  Sr  Sr2  1  0.250  0.748  0.386  1.0
  Sr  Sr3  1  0.250  0.248  0.114  1.0
  F  F4  1  0.750  0.143  0.928  1.0
  F  F5  1  0.750  0.643  0.572  1.0
  F  F6  1  0.250  0.857  0.072  1.0
  F  F7  1  0.250  0.357  0.428  1.0
  F  F8  1  0.750  0.525  0.168  1.0
  F  F9  1  0.750  0.025  0.332  1.0
  F  F10  1  0.250  0.475  0.832  1.0
  F  F11  1  0.250  0.975  0.668  1.0
[/CIF]
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The material described by SrF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Sr(1) atoms to form distorted FSr5 square pyramids that share corners with eight equivalent F(2)Sr5 square pyramids, corners with eight equivalent F(1)Sr4 tetrahedra, edges with six equivalent F(2)Sr5 square pyramids, and edges with six equivalent F(1)Sr4 tetrahedra. In the second F site, F(1) is bonded to four equivalent Sr(1) atoms to form FSr4 tetrahedra that share corners with eight equivalent F(2)Sr5 square pyramids, corners with eight equivalent F(1)Sr4 tetrahedra, edges with six equivalent F(2)Sr5 square pyramids, and edges with two equivalent F(1)Sr4 tetrahedra. is represented by the CIF card [CIF]
data_SrF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.781
_cell_length_b   6.280
_cell_length_c   7.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.333
_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  0.750  0.252  0.614  1.0
  Sr  Sr1  1  0.750  0.752  0.886  1.0
  Sr  Sr2  1  0.250  0.748  0.386  1.0
  Sr  Sr3  1  0.250  0.248  0.114  1.0
  F  F4  1  0.750  0.143  0.928  1.0
  F  F5  1  0.750  0.643  0.572  1.0
  F  F6  1  0.250  0.857  0.072  1.0
  F  F7  1  0.250  0.357  0.428  1.0
  F  F8  1  0.750  0.525  0.168  1.0
  F  F9  1  0.750  0.025  0.332  1.0
  F  F10  1  0.250  0.475  0.832  1.0
  F  F11  1  0.250  0.975  0.668  1.0
[/CIF]
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