# 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:  Bi4O12Ti3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4B12C3_mP38_7_4a_12a_3a-001

# Last updated on 2024/08/01

data_Bi8O24Ti6
_pd_phase_name Bi8O24Ti6
_cell_length_a  16.6470500000
_cell_length_b  5.4093800000
_cell_length_c  5.4447200000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  99.3645800000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pc'
_symmetry_Int_Tables_Number  7
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,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
Bi1 1.0000000000 0.8662400000 0.7548200000 0.4385600000  Biso 1.0 Bi 2 a
Bi2 1.0000000000 0.5773600000 0.7326000000 0.2942800000  Biso 1.0 Bi 2 a
Bi3 1.0000000000 0.1337600000 0.7451800000 0.5723200000  Biso 1.0 Bi 2 a
Bi4 1.0000000000 0.4226400000 0.7674000000 0.7169200000  Biso 1.0 Bi 2 a
O10 1.0000000000 0.7522800000 0.0408000000 0.7355400000  Biso 1.0 O 2 a
O11 1.0000000000 0.0153600000 0.0362000000 0.8678800000  Biso 1.0 O 2 a
O12 1.0000000000 0.4998000000 0.0079000000 0.5286000000  Biso 1.0 O 2 a
O13 1.0000000000 0.1184600000 0.3100000000 0.6537300000  Biso 1.0 O 2 a
O14 1.0000000000 0.3631800000 0.2017000000 0.7440900000  Biso 1.0 O 2 a
O15 1.0000000000 0.2237000000 0.9757000000 0.9117500000  Biso 1.0 O 2 a
O16 1.0000000000 0.2457200000 0.4592000000 0.9822600000  Biso 1.0 O 2 a
O5 1.0000000000 0.9846400000 0.5178000000 0.7995200000  Biso 1.0 O 2 a
O6 1.0000000000 0.5002000000 0.4921000000 0.0288000000  Biso 1.0 O 2 a
O7 1.0000000000 0.8815400000 0.1900000000 0.5352700000  Biso 1.0 O 2 a
O8 1.0000000000 0.6368200000 0.2983000000 0.3809100000  Biso 1.0 O 2 a
O9 1.0000000000 0.7763000000 0.5243000000 0.6880500000  Biso 1.0 O 2 a
Ti17 1.0000000000 0.0000000000 0.2500000000 0.5454000000  Biso 1.0 Ti 2 a
Ti18 1.0000000000 0.7436400000 0.2523000000 0.4303200000  Biso 1.0 Ti 2 a
Ti19 1.0000000000 0.2563600000 0.2477000000 0.6866800000  Biso 1.0 Ti 2 a
