# 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:  NO3Rb

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3C_hP45_144_3a_9a_3a-001

# Last updated on 2024/08/01

data_N9O27Rb9
_pd_phase_name N9O27Rb9
_cell_length_a  10.5500000000
_cell_length_b  10.5500000000
_cell_length_c  7.4700000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3_{1}'
_symmetry_Int_Tables_Number  144
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,z+2/3
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
N1 1.0000000000 0.4388000000 0.5668000000 0.1053000000  Biso 1.0 N 3 a
N2 1.0000000000 0.0962000000 0.2042000000 0.5318000000  Biso 1.0 N 3 a
N3 1.0000000000 0.7420000000 0.2057000000 0.1168000000  Biso 1.0 N 3 a
O10 1.0000000000 0.6922000000 0.1208000000 0.2503000000  Biso 1.0 O 3 a
O11 1.0000000000 0.8721000000 0.2774000000 0.0897000000  Biso 1.0 O 3 a
O12 1.0000000000 0.6541000000 0.2174000000 0.0140000000  Biso 1.0 O 3 a
O4 1.0000000000 0.3371000000 0.5582000000 0.0094000000  Biso 1.0 O 3 a
O5 1.0000000000 0.3964000000 0.4704000000 0.2280000000  Biso 1.0 O 3 a
O6 1.0000000000 0.5646000000 0.6512000000 0.0664000000  Biso 1.0 O 3 a
O7 1.0000000000 0.9989000000 0.1089000000 0.6245000000  Biso 1.0 O 3 a
O8 1.0000000000 0.2309000000 0.2495000000 0.5637000000  Biso 1.0 O 3 a
O9 1.0000000000 0.0581000000 0.2465000000 0.3949000000  Biso 1.0 O 3 a
Rb13 1.0000000000 0.4566000000 0.5691000000 0.6236000000  Biso 1.0 Rb 3 a
Rb14 1.0000000000 0.1184000000 0.2192000000 0.0000000000  Biso 1.0 Rb 3 a
Rb15 1.0000000000 0.7772000000 0.2214000000 0.6381000000  Biso 1.0 Rb 3 a
