# 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:  Pu

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A_mC34_12_ah3i2j-001

# Last updated on 2024/08/01
data_Pu34
_pd_phase_name Pu34
_cell_length_a  11.9387200000
_cell_length_b  10.4630000000
_cell_length_c  7.8590000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  129.0041100000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,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
Pu1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Pu 2 a
Pu2 1.0000000000 0.0000000000 0.2800000000 0.5000000000  Biso 1.0 Pu 4 h
Pu3 1.0000000000 0.8540000000 0.0000000000 0.2410000000  Biso 1.0 Pu 4 i
Pu4 1.0000000000 0.6630000000 0.0000000000 0.7450000000  Biso 1.0 Pu 4 i
Pu5 1.0000000000 0.5660000000 0.0000000000 0.2380000000  Biso 1.0 Pu 4 i
Pu6 1.0000000000 0.3550000000 0.2320000000 0.9630000000  Biso 1.0 Pu 8 j
Pu7 1.0000000000 0.8330000000 0.8500000000 0.5860000000  Biso 1.0 Pu 8 j
