The compound described by LiAg5F12 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with eight equivalent Ag(2)F6 octahedra and edges with two equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with four equivalent Ag(2)F6 octahedra, corners with four equivalent Ag(3)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Ag site, Ag(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra,  an edgeedge with one Ag(2)F6 octahedra, and  an edgeedge with one Ag(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third Ag site, Ag(3) is bonded to two equivalent F(1) and four equivalent F(4) atoms to form a mixture of edge and corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ag(3) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ag(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one Ag(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg5F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.770
_cell_length_b   4.770
_cell_length_c   10.737
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   244.265
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.324  1.0
  Ag  Ag2  1  0.000  0.000  0.676  1.0
  Ag  Ag3  1  0.500  0.500  0.157  1.0
  Ag  Ag4  1  0.500  0.500  0.500  1.0
  Ag  Ag5  1  0.500  0.500  0.843  1.0
  F  F6  1  0.198  0.198  0.500  1.0
  F  F7  1  0.196  0.196  0.154  1.0
  F  F8  1  0.196  0.196  0.846  1.0
  F  F9  1  0.699  0.301  0.000  1.0
  F  F10  1  0.696  0.304  0.324  1.0
  F  F11  1  0.696  0.304  0.676  1.0
  F  F12  1  0.304  0.696  0.324  1.0
  F  F13  1  0.304  0.696  0.676  1.0
  F  F14  1  0.301  0.699  0.000  1.0
  F  F15  1  0.804  0.804  0.154  1.0
  F  F16  1  0.804  0.804  0.846  1.0
  F  F17  1  0.802  0.802  0.500  1.0
[/CIF]
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The compound described by LiAg5F12 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with eight equivalent Ag(2)F6 octahedra and edges with two equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with four equivalent Ag(2)F6 octahedra, corners with four equivalent Ag(3)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Ag site, Ag(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra,  an edgeedge with one Ag(2)F6 octahedra, and  an edgeedge with one Ag(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third Ag site, Ag(3) is bonded to two equivalent F(1) and four equivalent F(4) atoms to form a mixture of edge and corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ag(3) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Ag(1), and one Ag(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ag(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ag(1), one Ag(2), and one Ag(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg5F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.770
_cell_length_b   4.770
_cell_length_c   10.737
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   244.265
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.324  1.0
  Ag  Ag2  1  0.000  0.000  0.676  1.0
  Ag  Ag3  1  0.500  0.500  0.157  1.0
  Ag  Ag4  1  0.500  0.500  0.500  1.0
  Ag  Ag5  1  0.500  0.500  0.843  1.0
  F  F6  1  0.198  0.198  0.500  1.0
  F  F7  1  0.196  0.196  0.154  1.0
  F  F8  1  0.196  0.196  0.846  1.0
  F  F9  1  0.699  0.301  0.000  1.0
  F  F10  1  0.696  0.304  0.324  1.0
  F  F11  1  0.696  0.304  0.676  1.0
  F  F12  1  0.304  0.696  0.324  1.0
  F  F13  1  0.304  0.696  0.676  1.0
  F  F14  1  0.301  0.699  0.000  1.0
  F  F15  1  0.804  0.804  0.154  1.0
  F  F16  1  0.804  0.804  0.846  1.0
  F  F17  1  0.802  0.802  0.500  1.0
[/CIF]
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