# 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:  Pb2O3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A3B2_mP20_14_3e_2e-001 

# Last updated on 2024/10/06

data_Pb2O3
_pd_phase_name Pb2O3
_cell_length_a  7.5427157000
_cell_length_b  5.6250000000
_cell_length_c  7.8140000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  113.1249382950
_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
O1  1.0000000000 0.3670000000 0.3640000000 0.2630000000  Biso 1.0 O  4 e
O2  1.0000000000 0.8100000000 0.1000000000 0.9560000000  Biso 1.0 O  4 e
O3  1.0000000000 0.9400000000 0.5630000000 0.1500000000  Biso 1.0 O  4 e
Pb4 1.0000000000 0.0870000000 0.2470000000 0.1170000000  Biso 1.0 Pb 4 e
Pb5 1.0000000000 0.3880000000 0.7420000000 0.8540000000  Biso 1.0 Pb 4 e
