# 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:  ClH12N5Zn diamminetriamidodizinc chloride

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB12C5D2_oP40_18_a_6c_b2c_c-001

# Last updated on 2024/08/01

data_Cl2H24N10Zn4
_pd_phase_name Cl2H24N10Zn4
_cell_length_a  5.7715000000
_cell_length_b  10.2359000000
_cell_length_c  6.5456000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2'
_symmetry_Int_Tables_Number  18
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -x+1/2,y+1/2,-z
  4  x+1/2,-y+1/2,-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
Cl1 1.0000000000 0.0000000000 0.0000000000 0.9566000000  Biso 1.0 Cl 2 a
N8 1.0000000000 -0.0000000000 0.5000000000 0.3950000000  Biso 1.0 N 2 b
H2 1.0000000000 0.3500000000 0.2480000000 0.6700000000  Biso 1.0 H 4 c
H3 1.0000000000 0.5000000000 0.3540000000 0.6700000000  Biso 1.0 H 4 c
H4 1.0000000000 0.0000000000 0.2590000000 0.9100000000  Biso 1.0 H 4 c
H5 1.0000000000 0.0900000000 0.3600000000 0.9600000000  Biso 1.0 H 4 c
H6 1.0000000000 0.4100000000 0.1180000000 0.0800000000  Biso 1.0 H 4 c
H7 1.0000000000 0.3540000000 0.0100000000 0.6500000000  Biso 1.0 H 4 c
N10 1.0000000000 0.0070000000 0.3377000000 0.8530000000  Biso 1.0 N 4 c
N9 1.0000000000 0.4490000000 0.3291000000 0.5530000000  Biso 1.0 N 4 c
Zn11 1.0000000000 0.1009000000 0.3376000000 0.5374000000  Biso 1.0 Zn 4 c
