# 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:  FeLi2O4Si

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2C4D_mP32_14_e_2e_4e_e-001

# Last updated on 2024/08/01

data_Fe4Li8O16Si4
_pd_phase_name Fe4Li8O16Si4
_cell_length_a  8.2373000000
_cell_length_b  5.0226000000
_cell_length_c  10.6934500000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  130.4305400000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-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
Fe1 1.0000000000 0.7530000000 0.2969000000 0.2930000000  Biso 1.0 Fe 4 e
Li2 1.0000000000 0.9940000000 0.2850000000 0.6630000000  Biso 1.0 Li 4 e
Li3 1.0000000000 0.5010000000 0.6930000000 0.5850000000  Biso 1.0 Li 4 e
O4 1.0000000000 0.0292000000 0.1905000000 0.8548000000  Biso 1.0 O 4 e
O5 1.0000000000 0.5409000000 0.7132000000 0.4261000000  Biso 1.0 O 4 e
O6 1.0000000000 0.2615000000 0.2685000000 0.6958000000  Biso 1.0 O 4 e
O7 1.0000000000 0.7412000000 0.3568000000 0.9584000000  Biso 1.0 O 4 e
Si8 1.0000000000 0.2531000000 0.3102000000 0.0436000000  Biso 1.0 Si 4 e
