The crystal structure described by Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent F(1) atoms to form LiO3F2 square pyramids that share corners with two equivalent Li(1)O3F2 square pyramids and corners with three equivalent Si(1)O4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O3F2 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Si(1) atom. F(1) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Sr(2) atoms to form distorted face-sharing FSr4Li2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiSiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   6.638
_cell_length_c   6.997
_cell_angle_alpha   67.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.949
_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  0.841  0.374  1.0
  Sr  Sr1  1  0.750  0.635  0.102  1.0
  Sr  Sr2  1  0.750  0.159  0.626  1.0
  Sr  Sr3  1  0.250  0.365  0.898  1.0
  Li  Li4  1  0.250  0.852  0.881  1.0
  Li  Li5  1  0.750  0.148  0.119  1.0
  Si  Si6  1  0.750  0.655  0.665  1.0
  Si  Si7  1  0.250  0.345  0.335  1.0
  O  O8  1  0.507  0.776  0.711  1.0
  O  O9  1  0.250  0.337  0.571  1.0
  O  O10  1  0.750  0.404  0.842  1.0
  O  O11  1  0.750  0.663  0.429  1.0
  O  O12  1  0.250  0.596  0.158  1.0
  O  O13  1  0.007  0.224  0.289  1.0
  O  O14  1  0.993  0.776  0.711  1.0
  O  O15  1  0.493  0.224  0.289  1.0
  F  F16  1  0.000  0.000  0.000  1.0
  F  F17  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent F(1) atoms to form LiO3F2 square pyramids that share corners with two equivalent Li(1)O3F2 square pyramids and corners with three equivalent Si(1)O4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O3F2 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Si(1) atom. F(1) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Sr(2) atoms to form distorted face-sharing FSr4Li2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiSiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   6.638
_cell_length_c   6.997
_cell_angle_alpha   67.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.949
_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  0.841  0.374  1.0
  Sr  Sr1  1  0.750  0.635  0.102  1.0
  Sr  Sr2  1  0.750  0.159  0.626  1.0
  Sr  Sr3  1  0.250  0.365  0.898  1.0
  Li  Li4  1  0.250  0.852  0.881  1.0
  Li  Li5  1  0.750  0.148  0.119  1.0
  Si  Si6  1  0.750  0.655  0.665  1.0
  Si  Si7  1  0.250  0.345  0.335  1.0
  O  O8  1  0.507  0.776  0.711  1.0
  O  O9  1  0.250  0.337  0.571  1.0
  O  O10  1  0.750  0.404  0.842  1.0
  O  O11  1  0.750  0.663  0.429  1.0
  O  O12  1  0.250  0.596  0.158  1.0
  O  O13  1  0.007  0.224  0.289  1.0
  O  O14  1  0.993  0.776  0.711  1.0
  O  O15  1  0.493  0.224  0.289  1.0
  F  F16  1  0.000  0.000  0.000  1.0
  F  F17  1  0.500  0.000  0.000  1.0
[/CIF]
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