# 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:  AlKO8Si3 sanidine S67

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB8C4_mC52_12_i_gi3j_2j-001

# Last updated on 2024/08/01

data_K4O32Si16
_pd_phase_name K4O32Si16
_cell_length_a  13.1107932507
_cell_length_b  13.0280000000
_cell_length_c  8.4500199604
_cell_angle_alpha  90.0000000000
_cell_angle_beta  149.9624364951
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  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
O2 1.0000000000 0.0000000000 0.1470000000 0.0000000000  Biso 1.0 O 4 g
K1 1.0000000000 0.8514000000 0.0000000000 0.5648000000  Biso 1.0 K 4 i
O3 1.0000000000 0.6449000000 0.0000000000 0.0049000000  Biso 1.0 O 4 i
O4 1.0000000000 0.3967000000 0.1476000000 0.5665000000  Biso 1.0 O 8 j
O5 1.0000000000 0.7218000000 0.8105000000 0.1867000000  Biso 1.0 O 8 j
O6 1.0000000000 0.2294000000 0.1265000000 0.0505000000  Biso 1.0 O 8 j
Si7 1.0000000000 0.7139000000 0.6856000000 0.2039900000  Biso 1.0 Si 8 j
Si8 1.0000000000 0.6336300000 0.1181300000 0.9228800000  Biso 1.0 Si 8 j
