# 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:  AlNaO8Si3 albite S68

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC8D3_aP26_2_i_i_8i_3i-001

# Last updated on 2024/08/01

data_AlNaO8Si3
_pd_phase_name AlNaO8Si3
_cell_length_a  7.1576000000
_cell_length_b  7.4235900000
_cell_length_c  7.6976200000
_cell_angle_alpha  115.1151100000
_cell_angle_beta  107.3772400000
_cell_angle_gamma  100.5586400000
_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 0.2077300000 0.8412200000 0.1767000000  Biso 1.0 Al 2 i
Na2  1.0000000000 0.1444100000 0.2751800000 0.2542200000  Biso 1.0 Na 2 i
O3   1.0000000000 0.9664400000 0.8765800000 0.1347200000  Biso 1.0 O  2 i
O4   1.0000000000 0.7211100000 0.4089100000 0.4138100000  Biso 1.0 O  2 i
O5   1.0000000000 0.8098100000 0.2953000000 0.0794200000  Biso 1.0 O  2 i
O6   1.0000000000 0.7407600000 0.0321000000 0.3292800000  Biso 1.0 O  2 i
O7   1.0000000000 0.2681400000 0.7082800000 0.3121200000  Biso 1.0 O  2 i
O8   1.0000000000 0.2259200000 0.3285700000 0.7173100000  Biso 1.0 O  2 i
O9   1.0000000000 0.3894200000 0.1011200000 0.3191400000  Biso 1.0 O  2 i
O10  1.0000000000 0.4370800000 0.3168200000 0.0532400000  Biso 1.0 O  2 i
Si11 1.0000000000 0.2370100000 0.1822800000 0.8249000000  Biso 1.0 Si 2 i
Si12 1.0000000000 0.6867700000 0.4195500000 0.1996300000  Biso 1.0 Si 2 i
Si13 1.0000000000 0.6404000000 0.2030000000 0.4392000000  Biso 1.0 Si 2 i
