The material structure described by SrZrF6 crystallizes in the orthorhombic Cmme space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent F(2) and eight equivalent F(1) atoms. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(1) and two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrZrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.650
_cell_length_b   6.650
_cell_length_c   5.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.870
_symmetry_Int_Tables_number   1
_cell_volume   220.152
_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  0.250  0.750  0.453  1.0
  Sr  Sr1  1  0.750  0.250  0.547  1.0
  Zr  Zr2  1  0.750  0.750  0.000  1.0
  Zr  Zr3  1  0.250  0.250  0.000  1.0
  F  F4  1  0.683  0.940  0.261  1.0
  F  F5  1  0.317  0.060  0.739  1.0
  F  F6  1  0.817  0.560  0.261  1.0
  F  F7  1  0.560  0.817  0.739  1.0
  F  F8  1  0.183  0.440  0.739  1.0
  F  F9  1  0.440  0.183  0.261  1.0
  F  F10  1  0.940  0.683  0.739  1.0
  F  F11  1  0.060  0.317  0.261  1.0
  F  F12  1  0.424  0.576  0.155  1.0
  F  F13  1  0.576  0.424  0.845  1.0
  F  F14  1  0.076  0.924  0.155  1.0
  F  F15  1  0.924  0.076  0.845  1.0
[/CIF]
.
The material structure described by SrZrF6 crystallizes in the orthorhombic Cmme space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent F(2) and eight equivalent F(1) atoms. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(1) and two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrZrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.650
_cell_length_b   6.650
_cell_length_c   5.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.870
_symmetry_Int_Tables_number   1
_cell_volume   220.152
_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  0.250  0.750  0.453  1.0
  Sr  Sr1  1  0.750  0.250  0.547  1.0
  Zr  Zr2  1  0.750  0.750  0.000  1.0
  Zr  Zr3  1  0.250  0.250  0.000  1.0
  F  F4  1  0.683  0.940  0.261  1.0
  F  F5  1  0.317  0.060  0.739  1.0
  F  F6  1  0.817  0.560  0.261  1.0
  F  F7  1  0.560  0.817  0.739  1.0
  F  F8  1  0.183  0.440  0.739  1.0
  F  F9  1  0.440  0.183  0.261  1.0
  F  F10  1  0.940  0.683  0.739  1.0
  F  F11  1  0.060  0.317  0.261  1.0
  F  F12  1  0.424  0.576  0.155  1.0
  F  F13  1  0.576  0.424  0.845  1.0
  F  F14  1  0.076  0.924  0.155  1.0
  F  F15  1  0.924  0.076  0.845  1.0
[/CIF]
.