data_4000643
_journal_name_full  'Chemistry of Materials'
_journal_year      2005
loop_
_publ_author_name
'Marie-Pierre Bichat'
'Jean-Louis Pascal'
'Frederic Gillot '
'Frederic Favier'
_chemical_formula_sum  'Li1 Zn4'
_chemical_formula_weight  268.54
_symmetry_cell_setting  hexagonal
_symmetry_space_group_name_H-M  'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c;-2c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1  x,y,z
 2  x-y,x,1/2+z
 3  y,x,1/2+z
 4  -y,x-y,z
 5  -x+y,y,z
 6  -x,-y,1/2+z
 7  -x,-x+y,1/2+z
 8  -x+y,-x,z
 9  -y,-x,z
 10  y,-x+y,1/2+z
 11  x-y,-y,1/2+z
 12  x,x-y,z
 13  -x,-y,-z
 14  -x+y,-x,1/2-z
 15  -y,-x,1/2-z
 16  y,-x+y,-z
 17  x-y,-y,-z
 18  x,y,1/2-z
 19  x,x-y,1/2-z
 20  x-y,x,-z
 21  y,x,-z
 22  -y,x-y,1/2-z
 23  -x+y,y,1/2-z
 24  -x,-x+y,-z
_cell_length_a  2.7709(8)
_cell_length_b  2.7709(8)
_cell_length_c  4.3785(9)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  120
_cell_volume  29.09(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  6.075
_diffrn_ambient_temperature  298
_pd_proc_ls_prof_R_factor  0.0694
_pd_proc_ls_prof_wR_factor  0.0919
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Zn  Zn  0.33333  0.66667  0.25  0.8  Biso  0.8(2)  2
Li  Li  0.33333  0.66667  0.25  0.2  Biso  1.9(4)  2