# 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:  H4N2O3 gwihabaite

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B2C3_tP72_77_8d_ab2c2d_6d-001

# Last updated on 2024/08/01

data_NH4NO3_V
_pd_phase_name NH4NO3_V
_cell_length_a  7.9800000000
_cell_length_b  7.9800000000
_cell_length_c  9.7800000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P4_{2}'
_symmetry_Int_Tables_Number  77
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -y,x,z+1/2
  4  y,-x,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
N9  1.0000000000 0.0000000000 0.0000000000 0.2500000000  Biso 1.0 N 2 a
N10 1.0000000000 0.5000000000 0.5000000000 0.2500000000  Biso 1.0 N 2 b
N11 1.0000000000 0.0000000000 0.5000000000 0.7500000000  Biso 1.0 N 2 c
N12 1.0000000000 0.0000000000 0.5000000000 0.2500000000  Biso 1.0 N 2 c
H1  1.0000000000 0.0760000000 0.0760000000 0.1900000000  Biso 1.0 H 4 d
H2  1.0000000000 0.0760000000 0.9240000000 0.3100000000  Biso 1.0 H 4 d
H3  1.0000000000 0.5760000000 0.0760000000 0.1900000000  Biso 1.0 H 4 d
H4  1.0000000000 0.4240000000 0.0760000000 0.3100000000  Biso 1.0 H 4 d
H5  1.0000000000 0.4240000000 0.4240000000 0.3100000000  Biso 1.0 H 4 d
H6  1.0000000000 0.4240000000 0.5760000000 0.1900000000  Biso 1.0 H 4 d
H7  1.0000000000 0.9240000000 0.4240000000 0.3100000000  Biso 1.0 H 4 d
H8  1.0000000000 0.9240000000 0.5760000000 0.1900000000  Biso 1.0 H 4 d
N13 1.0000000000 0.2500000000 0.2500000000 0.5180000000  Biso 1.0 N 4 d
N14 1.0000000000 0.2500000000 0.2500000000 0.0180000000  Biso 1.0 N 4 d
O15 1.0000000000 0.1200000000 0.2700000000 0.4560000000  Biso 1.0 O 4 d
O16 1.0000000000 0.3300000000 0.2300000000 0.4560000000  Biso 1.0 O 4 d
O17 1.0000000000 0.2500000000 0.2500000000 0.6420000000  Biso 1.0 O 4 d
O18 1.0000000000 0.1200000000 0.2300000000 0.9560000000  Biso 1.0 O 4 d
O19 1.0000000000 0.3800000000 0.2700000000 0.9560000000  Biso 1.0 O 4 d
O20 1.0000000000 0.2500000000 0.2500000000 0.1420000000  Biso 1.0 O 4 d
