# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  Li3O4P

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B4C_oP16_31_ab_2ab_a-002

# Last updated on 2024/08/01

data_Li6O8P2
_pd_phase_name Li6O8P2
_cell_length_a  6.1295000000
_cell_length_b  5.2546000000
_cell_length_c  4.8705000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pmn2_{1}'
_symmetry_Int_Tables_Number  31
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  x+1/2,-y,z+1/2
  4  -x,y,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Li1 1.0000000000 0.0000000000 0.1760000000 0.4861000000  Biso 1.0 Li 2 a
O3 1.0000000000 0.0000000000 0.1104000000 0.8959000000  Biso 1.0 O 2 a
O4 1.0000000000 0.0000000000 0.8148000000 0.3131000000  Biso 1.0 O 2 a
P6 1.0000000000 0.0000000000 0.8262000000 0.9904000000  Biso 1.0 P 2 a
Li2 1.0000000000 0.2473000000 0.3270000000 0.0128000000  Biso 1.0 Li 4 b
O5 1.0000000000 0.2069000000 0.6849000000 0.9027000000  Biso 1.0 O 4 b
