# 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:  H2LiO5PZn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2BC5DE_oP40_33_2a_a_5a_a_a-001

# Last updated on 2024/08/01

data_H8Li4O20P4Zn4
_pd_phase_name H8Li4O20P4Zn4
_cell_length_a  10.5750000000
_cell_length_b  8.0759000000
_cell_length_c  4.9937000000
_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
H1 1.0000000000 0.4814000000 0.0595000000 0.8991000000  Biso 1.0 H 4 a
H2 1.0000000000 0.4777000000 0.1920000000 0.6232000000  Biso 1.0 H 4 a
Li3 1.0000000000 0.1940000000 0.3110000000 0.6740000000  Biso 1.0 Li 4 a
O4 1.0000000000 0.9481000000 0.1618000000 0.1049000000  Biso 1.0 O 4 a
O5 1.0000000000 0.2085000000 0.3152000000 0.0840000000  Biso 1.0 O 4 a
O6 1.0000000000 0.1637000000 0.1052000000 0.5801000000  Biso 1.0 O 4 a
O7 1.0000000000 0.1898000000 0.9331000000 0.9974000000  Biso 1.0 O 4 a
O8 1.0000000000 0.5093000000 0.0920000000 0.7149000000  Biso 1.0 O 4 a
P9 1.0000000000 0.3246000000 0.4117000000 0.1929000000  Biso 1.0 P 4 a
Zn10 1.0000000000 0.1249000000 0.1064000000 0.1951000000  Biso 1.0 Zn 4 a
