# 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:  Na2U2O7 (alpha)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B7C2_mP44_14_ace_7e_2e-001 

# Last updated on 2025/09/17

data_Na2U2O7
_pd_phase_name Na2U2O7
_cell_length_a  12.1218672472
_cell_length_b  7.8384000000
_cell_length_c  12.7617000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  147.5191901271
_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
Na1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Na 2 a
Na2 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Na 2 c
Na3 1.0000000000 0.4920000000 0.2580000000 0.5180000000  Biso 1.0 Na 4 e
O4  1.0000000000 0.1230000000 0.9620000000 0.8920000000  Biso 1.0 O  4 e
O5  1.0000000000 0.3020000000 0.6810000000 0.0420000000  Biso 1.0 O  4 e
O6  1.0000000000 0.3470000000 0.2700000000 0.0740000000  Biso 1.0 O  4 e
O7  1.0000000000 0.0900000000 0.7640000000 0.6840000000  Biso 1.0 O  4 e
O8  1.0000000000 0.0990000000 0.2060000000 0.6970000000  Biso 1.0 O  4 e
O9  1.0000000000 0.6250000000 0.5260000000 0.2160000000  Biso 1.0 O  4 e
O10 1.0000000000 0.5770000000 0.0910000000 0.1670000000  Biso 1.0 O  4 e
U11 1.0000000000 0.0080000000 0.2620000000 0.7620000000  Biso 1.0 U  4 e
U12 1.0000000000 0.4700000000 0.0170000000 0.2285000000  Biso 1.0 U  4 e
