# 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 G011

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B2C3_oP18_59_ef_ab_ae-001

# Last updated on 2024/08/01

data_NH4NO3
_pd_phase_name NH4NO3
_cell_length_a  5.4380000000
_cell_length_b  5.7450000000
_cell_length_c  4.9420000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pmmn'
_symmetry_Int_Tables_Number  59
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y+1/2,z
  3  -x,y+1/2,-z
  4  x+1/2,-y,-z
  5  -x,-y,-z
  6  x+1/2,y+1/2,-z
  7  x,-y+1/2,z
  8  -x+1/2,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
N3 1.0000000000 0.2500000000 0.2500000000 0.4933000000  Biso 1.0 N 2 a
O5 1.0000000000 0.2500000000 0.2500000000 0.2371000000  Biso 1.0 O 2 a
N4 1.0000000000 0.2500000000 0.7500000000 0.0836000000  Biso 1.0 N 2 b
H2 1.0000000000 0.2500000000 0.8955000000 0.1898000000  Biso 1.0 H 4 e
O6 1.0000000000 0.2500000000 0.0655800000 0.6168000000  Biso 1.0 O 4 e
H1 1.0000000000 0.8989000000 0.2500000000 0.0324000000  Biso 1.0 H 4 f
