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Li10GeP2S12.cif
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Li10GeP2S12.cif
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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_pd_phase_name 'Li10 S12 P2 Ge'
_cell_length_a 8.69407(18)
_cell_length_b 8.69407(18)
_cell_length_c 12.5994(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_symmetry_space_group_name_H-M 'P 42/n m c'
_symmetry_Int_Tables_number 137
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Li1 0.691 0.2563(5) 0.2718(3) 0.1832(2) Biso 1.000 Li
Li2 1.0 0 0.50000 0.9446(2) Biso 1.000 Li
Li3 0.643 0.2463(3) 0.2463(3) 0 Biso 1.000 Li
Ge1 0.515 0 0.50000 0.6907(6) Biso 1.000 Ge
P1 0.485 0 0.50000 0.6907(6) Biso 1.000 P
P2 1.0 0 0 0.50000 Biso 1.000 P
S1 1.0 0 0.1843(15) 0.4103(11) Biso 1.000 S
S2 1.0 0 0.2991(18) 0.0950(11) Biso 1.000 S
S3 1.0 0 0.6990(15) 0.7914(12) Biso 1.000 S