The material described by Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Li(2) and four equivalent Pt(1) atoms. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent Li(2)Li8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Pt4 cuboctahedra, faces with four equivalent Li(2)Li8Pt4 cuboctahedra, and faces with six equivalent Pt(1)Li12 cuboctahedra. Pt(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form PtLi12 cuboctahedra that share corners with four equivalent Pt(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Li12 cuboctahedra, faces with four equivalent Pt(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Pt4 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.579
_cell_length_b   4.579
_cell_length_c   4.579
_cell_angle_alpha   129.197
_cell_angle_beta   129.197
_cell_angle_gamma   74.694
_symmetry_Int_Tables_number   1
_cell_volume   56.183
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Li(2) and four equivalent Pt(1) atoms. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent Li(2)Li8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Pt4 cuboctahedra, faces with four equivalent Li(2)Li8Pt4 cuboctahedra, and faces with six equivalent Pt(1)Li12 cuboctahedra. Pt(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form PtLi12 cuboctahedra that share corners with four equivalent Pt(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Li12 cuboctahedra, faces with four equivalent Pt(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Pt4 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.579
_cell_length_b   4.579
_cell_length_c   4.579
_cell_angle_alpha   129.197
_cell_angle_beta   129.197
_cell_angle_gamma   74.694
_symmetry_Int_Tables_number   1
_cell_volume   56.183
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
[/CIF]
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