# 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:  Bi5O15Nb3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B3C15_oP46_30_a2c_bc_a7c-001

# Last updated on 2024/08/01

data_Bi10Nb6O30
_pd_phase_name Bi10Nb6O30
_cell_length_a  21.0110000000
_cell_length_b  5.4730000000
_cell_length_c  5.4630000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnc2'
_symmetry_Int_Tables_Number  30
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y+1/2,z+1/2
  4  -x,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
Bi1 1.0000000000 0.0000000000 0.0000000000 0.5000000000  Biso 1.0 Bi 2 a
O6 1.0000000000 0.0000000000 0.0000000000 0.8930000000  Biso 1.0 O 2 a
Nb4 1.0000000000 0.5000000000 0.0000000000 0.4770000000  Biso 1.0 Nb 2 b
Bi2 1.0000000000 0.7558000000 0.9870000000 0.4810000000  Biso 1.0 Bi 4 c
Bi3 1.0000000000 0.6325000000 0.4740000000 0.4840000000  Biso 1.0 Bi 4 c
Nb5 1.0000000000 0.8926000000 0.4970000000 0.4800000000  Biso 1.0 Nb 4 c
O10 1.0000000000 0.5870000000 0.9800000000 0.3950000000  Biso 1.0 O 4 c
O11 1.0000000000 0.4950000000 0.7820000000 0.1900000000  Biso 1.0 O 4 c
O12 1.0000000000 0.6950000000 0.7370000000 0.2290000000  Biso 1.0 O 4 c
O13 1.0000000000 0.6950000000 0.2520000000 0.2110000000  Biso 1.0 O 4 c
O7 1.0000000000 0.8051000000 0.4500000000 0.4260000000  Biso 1.0 O 4 c
O8 1.0000000000 0.9030000000 0.8130000000 0.2800000000  Biso 1.0 O 4 c
O9 1.0000000000 0.9156000000 0.2460000000 0.2340000000  Biso 1.0 O 4 c
