# 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:  Al3H2KO12Si3 muscovite S51

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2BC10D2E4_mC76_15_f_e_5f_f_2f-001

# Last updated on 2024/08/01

data_Al8K4O40Oh8Si16
_pd_phase_name Al8K4O40Oh8Si16
_cell_length_a  5.1988000000
_cell_length_b  9.0266000000
_cell_length_c  20.1058000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  95.7820000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/c'
_symmetry_Int_Tables_Number  15
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z+1/2
  3  -x,-y,-z
  4  x,-y,z+1/2
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z+1/2
  7  -x+1/2,-y+1/2,-z
  8  x+1/2,-y+1/2,z+1/2
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
K2 1.0000000000 0.0000000000 0.0992000000 0.2500000000  Biso 1.0 K 4 e
Al1 1.0000000000 0.7506000000 0.5838000000 0.0002000000  Biso 1.0 Al 8 f
O3 1.0000000000 0.8872000000 0.7525000000 0.0543000000  Biso 1.0 O 8 f
O4 1.0000000000 0.5366000000 0.9431000000 0.4459000000  Biso 1.0 O 8 f
O5 1.0000000000 0.9178000000 0.5931000000 0.1685000000  Biso 1.0 O 8 f
O6 1.0000000000 0.7475000000 0.8712000000 0.1685000000  Biso 1.0 O 8 f
O7 1.0000000000 0.7509000000 0.8132000000 0.3424000000  Biso 1.0 O 8 f
OH8 1.0000000000 0.5422000000 0.5622000000 0.4492000000  Biso 1.0 OH 8 f
Si10 1.0000000000 0.5354000000 0.9298000000 0.3646000000  Biso 1.0 Si 8 f
Si9 1.0000000000 0.9510000000 0.7587000000 0.1355000000  Biso 1.0 Si 8 f
