# 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:  LiO4PZn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4CD_oP28_33_a_4a_a_a-001

# Last updated on 2024/08/01

data_Li4O16P4Zn4
_pd_phase_name Li4O16P4Zn4
_cell_length_a  10.0193000000
_cell_length_b  4.9657000000
_cell_length_c  6.6746000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pna2_{1}'
_symmetry_Int_Tables_Number  33
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  x+1/2,-y+1/2,z
  4  -x+1/2,y+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_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Li1 1.0000000000 0.1569000000 0.8250000000 0.9894000000  Biso 1.0 Li 4 a
O2 1.0000000000 0.9439000000 0.2455000000 0.7570000000  Biso 1.0 O 4 a
O3 1.0000000000 0.8863000000 0.3849000000 0.2528000000  Biso 1.0 O 4 a
O4 1.0000000000 0.3389000000 0.6996000000 0.4401000000  Biso 1.0 O 4 a
O5 1.0000000000 0.3396000000 0.6965000000 0.0552000000  Biso 1.0 O 4 a
P6 1.0000000000 0.0926000000 0.3164000000 0.7504000000  Biso 1.0 P 4 a
Zn7 1.0000000000 0.8449000000 0.1870000000 0.0000000000  Biso 1.0 Zn 4 a
