# 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:  K2O5S2 K01

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B5C2_mP18_11_2e_e2f_2e-001

# Last updated on 2024/08/01

data_K4O10S4
_pd_phase_name K4O10S4
_cell_length_a  6.9210000000
_cell_length_b  6.1600000000
_cell_length_c  7.5370000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  102.7900000000
_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
K1 1.0000000000 0.7690000000 0.2500000000 0.0647000000  Biso 1.0 K 2 e
K2 1.0000000000 0.3602000000 0.2500000000 0.3272200000  Biso 1.0 K 2 e
O3 1.0000000000 0.3445000000 0.2500000000 0.9593000000  Biso 1.0 O 2 e
S6 1.0000000000 0.9709000000 0.2500000000 0.6700000000  Biso 1.0 S 2 e
S7 1.0000000000 0.2986000000 0.2500000000 0.7616000000  Biso 1.0 S 2 e
O4 1.0000000000 0.9259000000 0.0515000000 0.7657000000  Biso 1.0 O 4 f
O5 1.0000000000 0.3650000000 0.0530000000 0.6853000000  Biso 1.0 O 4 f
