# 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:  Al2O5Si kyanite S01

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B5C_aP32_2_4i_10i_2i-001

# Last updated on 2024/08/01

data_Al8O20Si4
_pd_phase_name Al8O20Si4
_cell_length_a  7.1200000000
_cell_length_b  7.8479000000
_cell_length_c  5.5738000000
_cell_angle_alpha  89.9740000000
_cell_angle_beta  101.1770000000
_cell_angle_gamma  106.0000000000
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,-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
Al1 1.0000000000 0.3253300000 0.7041200000 0.4581200000  Biso 1.0 Al 2 i
Al2 1.0000000000 0.2974000000 0.6988200000 0.9504000000  Biso 1.0 Al 2 i
Al3 1.0000000000 0.0998000000 0.3861500000 0.6404300000  Biso 1.0 Al 2 i
Al4 1.0000000000 0.1120500000 0.9175000000 0.1646900000  Biso 1.0 Al 2 i
O10 1.0000000000 0.1219200000 0.6306300000 0.6393900000  Biso 1.0 O 2 i
O11 1.0000000000 0.2822600000 0.4451200000 0.4286800000  Biso 1.0 O 2 i
O12 1.0000000000 0.2915600000 0.9468400000 0.4657400000  Biso 1.0 O 2 i
O13 1.0000000000 0.5007400000 0.2751900000 0.2440500000  Biso 1.0 O 2 i
O14 1.0000000000 0.5015400000 0.2309900000 0.7559500000  Biso 1.0 O 2 i
O5 1.0000000000 0.1093300000 0.1468500000 0.1286600000  Biso 1.0 O 2 i
O6 1.0000000000 0.1228700000 0.6853500000 0.1811300000  Biso 1.0 O 2 i
O7 1.0000000000 0.2750700000 0.4544300000 0.9547400000  Biso 1.0 O 2 i
O8 1.0000000000 0.2835300000 0.9357000000 0.9356700000  Biso 1.0 O 2 i
O9 1.0000000000 0.1083600000 0.1521000000 0.6667100000  Biso 1.0 O 2 i
Si15 1.0000000000 0.2962500000 0.0648800000 0.7065700000  Biso 1.0 Si 2 i
Si16 1.0000000000 0.2910200000 0.3316800000 0.1893700000  Biso 1.0 Si 2 i
