The structure described by Cs2Li3F5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(5), and four equivalent F(2) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(5), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. In the second Li site, Li(2) is bonded in a square co-planar geometry to one F(1), one F(2), and two equivalent F(5) atoms. In the third Li site, Li(3) is bonded to one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Li(3) atoms to form corner-sharing FLi5 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Li(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Li(3) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Li(3) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to two equivalent Cs(2), one Li(1), and two equivalent Li(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Li3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.414
_cell_length_b   10.414
_cell_length_c   4.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.099
_symmetry_Int_Tables_number   1
_cell_volume   170.923
_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
  Cs  Cs0  1  0.732  0.268  0.000  1.0
  Cs  Cs1  1  0.382  0.618  0.500  1.0
  Li  Li2  1  0.577  0.423  0.000  1.0
  Li  Li3  1  0.986  0.014  0.000  1.0
  Li  Li4  1  0.123  0.877  0.500  1.0
  F  F5  1  0.085  0.915  0.000  1.0
  F  F6  1  0.890  0.110  0.000  1.0
  F  F7  1  0.220  0.780  0.500  1.0
  F  F8  1  0.609  0.391  0.500  1.0
  F  F9  1  0.487  0.513  0.000  1.0
[/CIF]
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The structure described by Cs2Li3F5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(5), and four equivalent F(2) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(5), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. In the second Li site, Li(2) is bonded in a square co-planar geometry to one F(1), one F(2), and two equivalent F(5) atoms. In the third Li site, Li(3) is bonded to one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and two equivalent Li(3) atoms to form corner-sharing FLi5 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Li(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Li(3) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Li(3) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to two equivalent Cs(2), one Li(1), and two equivalent Li(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Li3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.414
_cell_length_b   10.414
_cell_length_c   4.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.099
_symmetry_Int_Tables_number   1
_cell_volume   170.923
_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
  Cs  Cs0  1  0.732  0.268  0.000  1.0
  Cs  Cs1  1  0.382  0.618  0.500  1.0
  Li  Li2  1  0.577  0.423  0.000  1.0
  Li  Li3  1  0.986  0.014  0.000  1.0
  Li  Li4  1  0.123  0.877  0.500  1.0
  F  F5  1  0.085  0.915  0.000  1.0
  F  F6  1  0.890  0.110  0.000  1.0
  F  F7  1  0.220  0.780  0.500  1.0
  F  F8  1  0.609  0.391  0.500  1.0
  F  F9  1  0.487  0.513  0.000  1.0
[/CIF]
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