The compound described by LiSr2FeO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one F(1) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted edge-sharing SrO4F2 pentagonal pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. Fe(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Sr(1), one Sr(2), and one Fe(1) atom to form distorted OSr2Li2Fe trigonal bipyramids that share corners with two equivalent O(1)Sr2Li2Fe trigonal bipyramids, corners with two equivalent O(3)Sr3Fe trigonal pyramids, and  an edgeedge with one O(3)Sr3Fe trigonal pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Fe(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one Fe(1) atom to form distorted OSr3Fe trigonal pyramids that share corners with two equivalent O(1)Sr2Li2Fe trigonal bipyramids, corners with two equivalent O(3)Sr3Fe trigonal pyramids, and  an edgeedge with one O(1)Sr2Li2Fe trigonal bipyramid. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sr(2), and two equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr2LiFeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   3.850
_cell_length_c   7.411
_cell_angle_alpha   78.129
_cell_angle_beta   66.539
_cell_angle_gamma   92.678
_symmetry_Int_Tables_number   1
_cell_volume   131.318
_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  0.529  0.332  0.283  1.0
  Sr  Sr1  1  0.479  0.627  0.762  1.0
  Li  Li2  1  0.106  0.870  0.142  1.0
  Fe  Fe3  1  0.921  0.115  0.883  1.0
  O  O4  1  0.019  0.405  0.040  1.0
  O  O5  1  0.521  0.929  0.040  1.0
  O  O6  1  0.268  0.145  0.653  1.0
  F  F7  1  0.774  0.777  0.392  1.0
[/CIF]
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The compound described by LiSr2FeO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one F(1) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted edge-sharing SrO4F2 pentagonal pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. Fe(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Sr(1), one Sr(2), and one Fe(1) atom to form distorted OSr2Li2Fe trigonal bipyramids that share corners with two equivalent O(1)Sr2Li2Fe trigonal bipyramids, corners with two equivalent O(3)Sr3Fe trigonal pyramids, and  an edgeedge with one O(3)Sr3Fe trigonal pyramid. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Fe(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one Fe(1) atom to form distorted OSr3Fe trigonal pyramids that share corners with two equivalent O(1)Sr2Li2Fe trigonal bipyramids, corners with two equivalent O(3)Sr3Fe trigonal pyramids, and  an edgeedge with one O(1)Sr2Li2Fe trigonal bipyramid. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sr(2), and two equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr2LiFeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   3.850
_cell_length_c   7.411
_cell_angle_alpha   78.129
_cell_angle_beta   66.539
_cell_angle_gamma   92.678
_symmetry_Int_Tables_number   1
_cell_volume   131.318
_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  0.529  0.332  0.283  1.0
  Sr  Sr1  1  0.479  0.627  0.762  1.0
  Li  Li2  1  0.106  0.870  0.142  1.0
  Fe  Fe3  1  0.921  0.115  0.883  1.0
  O  O4  1  0.019  0.405  0.040  1.0
  O  O5  1  0.521  0.929  0.040  1.0
  O  O6  1  0.268  0.145  0.653  1.0
  F  F7  1  0.774  0.777  0.392  1.0
[/CIF]
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