# 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:  ABC3_mP10_11_e_e_ef-001 ClKO3 G06

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC3_mP10_11_e_e_ef-001

# Last updated on 2024/08/01
data_ClKO3
_pd_phase_name CKO3
_cell_length_a  4.6300000000
_cell_length_b  5.5680000000
_cell_length_c  6.9680636286
_cell_angle_alpha  90.0000000000
_cell_angle_beta  71.6340806098
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/m'
_symmetry_Int_Tables_Number  11
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
  3  -x,-y,-z
  4  x,-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 0.0535000000 0.2500000000 0.8255000000  Biso 1.0 Cl 2 e
K2  1.0000000000 0.3531000000 0.2500000000 0.2914000000  Biso 1.0 K  2 e
O3  1.0000000000 0.7156000000 0.2500000000 0.8835000000  Biso 1.0 O  2 e
O4  1.0000000000 0.1601000000 0.4639000000 0.6943000000  Biso 1.0 O  4 f
