# 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:  (AlPO4)9O19 (AlPO4-17)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B55C9_hP146_176_hi_a2h8i_hi-001 

# Last updated on 2025/02/23

data_(AlPO4)9O19
_pd_phase_name (AlPO4)9O19
_cell_length_a  13.1181000000
_cell_length_b  13.1181000000
_cell_length_c  15.2456000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}/m'
_symmetry_Int_Tables_Number  176
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -x,-y,z+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,z+1/2
  7  -x,-y,-z
  8  y,-x+y,-z
  9  x-y,x,-z
  10  x,y,-z+1/2
  11  -y,x-y,-z+1/2
  12  -x+y,-x,-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
O1  1.0000000000 0.0000000000 0.0000000000 0.2500000000  Biso 1.0 O   2 a
Al2 1.0000000000 0.0931000000 0.4245000000 0.2500000000  Biso 1.0 Al  6 h
O3  1.0000000000 0.2376000000 0.4600000000 0.2500000000  Biso 1.0 O   6 h
O4  1.0000000000 0.4644000000 0.9195000000 0.2500000000  Biso 1.0 O   6 h
P5  1.0000000000 0.5742000000 0.9070000000 0.2500000000  Biso 1.0 P   6 h
Al6 1.0000000000 0.7628200000 0.9981000000 0.1014400000  Biso 1.0 Al 12 i
O7  1.0000000000 0.0254000000 0.3423000000 0.1581000000  Biso 1.0 O  12 i
O8  1.0000000000 0.6469000000 0.9667000000 0.1679000000  Biso 1.0 O  12 i
O9  1.0000000000 0.0906000000 0.1990000000 0.1160000000  Biso 1.0 O  12 i
O10 1.0000000000 0.1331000000 0.2550000000 0.6280000000  Biso 1.0 O  12 i
O11 1.0000000000 0.2730000000 0.0031000000 0.0060000000  Biso 1.0 O  12 i
O12 1.0000000000 0.2570000000 0.5100000000 0.7810000000  Biso 1.0 O  12 i
O13 1.0000000000 0.4271000000 0.8580000000 0.9678000000  Biso 1.0 O  12 i
O14 1.0000000000 0.4160000000 0.8250000000 0.0270000000  Biso 1.0 O  12 i
P15 1.0000000000 0.9978000000 0.2357700000 0.1019000000  Biso 1.0 P  12 i
