# 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:  H12N2NiO12

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A12B2CD12_aP54_2_12i_2i_i_12i-001

# Last updated on 2024/08/01

data_H24N4Ni2O24
_pd_phase_name H24N4Ni2O24
_cell_length_a  7.6940000000
_cell_length_b  11.6635387562
_cell_length_c  5.8170000000
_cell_angle_alpha  81.9845946099
_cell_angle_beta  102.4000000000
_cell_angle_gamma  74.1763339583
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
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
H10 1.0000000000 0.1253000000 0.3451000000 0.8366000000  Biso 1.0 H 2 i
H1 1.0000000000 0.5270000000 0.3750000000 0.7833000000  Biso 1.0 H 2 i
H11 1.0000000000 0.5750000000 0.1417000000 0.8416000000  Biso 1.0 H 2 i
H12 1.0000000000 0.6500000000 0.1167000000 0.5833000000  Biso 1.0 H 2 i
H2 1.0000000000 0.6908000000 0.4180000000 0.8570000000  Biso 1.0 H 2 i
H3 1.0000000000 0.8484000000 0.1283000000 0.2267000000  Biso 1.0 H 2 i
H4 1.0000000000 0.0670000000 0.1350000000 0.3070000000  Biso 1.0 H 2 i
H5 1.0000000000 0.1880000000 0.1153000000 0.7897000000  Biso 1.0 H 2 i
H6 1.0000000000 0.0300000000 0.0400000000 0.7033000000  Biso 1.0 H 2 i
H7 1.0000000000 0.6992000000 0.2655000000 0.3828000000  Biso 1.0 H 2 i
H8 1.0000000000 0.7495000000 0.3861000000 0.3656000000  Biso 1.0 H 2 i
H9 1.0000000000 0.0450000000 0.3550000000 0.0367000000  Biso 1.0 H 2 i
N13 1.0000000000 0.5477000000 0.8730000000 0.7918000000  Biso 1.0 N 2 i
N14 1.0000000000 0.7626000000 0.6081000000 0.5819000000  Biso 1.0 N 2 i
Ni15 1.0000000000 0.8575000000 0.2325000000 0.8281000000  Biso 1.0 Ni 2 i
O16 1.0000000000 0.6048000000 0.8648000000 0.0197000000  Biso 1.0 O 2 i
O17 1.0000000000 0.6557000000 0.8766000000 0.6656000000  Biso 1.0 O 2 i
O18 1.0000000000 0.3854000000 0.8757000000 0.7087000000  Biso 1.0 O 2 i
O19 1.0000000000 0.9103000000 0.6283000000 0.6521000000  Biso 1.0 O 2 i
O20 1.0000000000 0.6552000000 0.6035000000 0.7123000000  Biso 1.0 O 2 i
O21 1.0000000000 0.7202000000 0.5904000000 0.3672000000  Biso 1.0 O 2 i
O22 1.0000000000 0.6480000000 0.3655000000 0.9039000000  Biso 1.0 O 2 i
O23 1.0000000000 0.9664000000 0.1448000000 0.1882000000  Biso 1.0 O 2 i
O24 1.0000000000 0.0662000000 0.1038000000 0.7495000000  Biso 1.0 O 2 i
O25 1.0000000000 0.7624000000 0.3149000000 0.4611000000  Biso 1.0 O 2 i
O26 1.0000000000 0.0118000000 0.3496000000 0.8683000000  Biso 1.0 O 2 i
O27 1.0000000000 0.6904000000 0.1262000000 0.7769000000  Biso 1.0 O 2 i
