# 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:  UMo5O16 (monoclinic)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B16C_mP22_3_a2e_ab7e_b-001

# Last updated on 2024/07/30

data_A5B16C_mP22_3_a2e_ab7e_b-001
_pd_phase_name A5B16C_mP22_3_a2e_ab7e_b-001
_cell_length_a  12.2533038137
_cell_length_b  4.1340000000
_cell_length_c  7.1823000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  126.0841711920
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2'
_symmetry_Int_Tables_Number  3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-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
Mo1 1.0000000000 0.0000000000 0.8919000000 0.0000000000  Biso 1.0 Mo 1 a
O2  1.0000000000 0.0000000000 0.4800000000 0.0000000000  Biso 1.0 O 1 a
O3  1.0000000000 0.0000000000 0.4990000000 0.5000000000  Biso 1.0 O 1 b
U4  1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 U 1 b
Mo5 1.0000000000 0.3199000000 0.8997000000 0.0688000000  Biso 1.0 Mo 2 e
Mo6 1.0000000000 0.6802000000 0.0939000000 0.4302000000  Biso 1.0 Mo 2 e
O7  1.0000000000 0.1250000000 0.9930000000 0.9240000000  Biso 1.0 O 2 e
O8  1.0000000000 0.8770000000 0.9930000000 0.6780000000  Biso 1.0 O 2 e
O9  1.0000000000 0.2500000000 0.0130000000 0.7500000000  Biso 1.0 O 2 e
O10 1.0000000000 0.3490000000 0.9590000000 0.3470000000  Biso 1.0 O 2 e
O11 1.0000000000 0.3200000000 0.4860000000 0.0670000000  Biso 1.0 O 2 e
O12 1.0000000000 0.6860000000 0.4970000000 0.4370000000  Biso 1.0 O 2 e
O13 1.0000000000 0.5010000000 0.0010000000 0.1920000000  Biso 1.0 O 2 e
