# 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:  AlPO4-11

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_oI120_46_b2c_2b9c_b2c-001 

# Last updated on 2025/03/11

data_AlPO4-11
_pd_phase_name AlPO4-11
_cell_length_a  18.4821000000
_cell_length_b  13.5336000000
_cell_length_c  8.3703000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Ima2'
_symmetry_Int_Tables_Number  46
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x+1/2,-y,z
  4  -x+1/2,y,z
  5  x+1/2,y+1/2,z+1/2
  6  -x+1/2,-y+1/2,z+1/2
  7  x,-y+1/2,z+1/2
  8  -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
Al1 1.0000000000 0.2500000000 0.8500000000 0.8150000000  Biso 1.0 Al 4 b
O4  1.0000000000 0.2500000000 0.8600000000 0.0240000000  Biso 1.0 O  4 b
O5  1.0000000000 0.2500000000 0.7620000000 0.2340000000  Biso 1.0 O  4 b
P15 1.0000000000 0.2500000000 0.8570000000 0.1850000000  Biso 1.0 P  4 b
Al2 1.0000000000 0.5350000000 0.6340000000 0.3010000000  Biso 1.0 Al 8 c
Al3 1.0000000000 0.1020000000 0.9490000000 0.3170000000  Biso 1.0 Al 8 c
O6  1.0000000000 0.5390000000 0.6430000000 0.5000000000  Biso 1.0 O  8 c
O7  1.0000000000 0.1050000000 0.9450000000 0.5170000000  Biso 1.0 O  8 c
O8  1.0000000000 0.5680000000 0.7420000000 0.7430000000  Biso 1.0 O  8 c
O9  1.0000000000 0.0880000000 0.0680000000 0.2520000000  Biso 1.0 O  8 c
O10 1.0000000000 0.0910000000 0.0570000000 0.7430000000  Biso 1.0 O  8 c
O11 1.0000000000 0.4550000000 0.6180000000 0.7320000000  Biso 1.0 O  8 c
O12 1.0000000000 0.4540000000 0.6250000000 0.2360000000  Biso 1.0 O  8 c
O13 1.0000000000 0.1790000000 0.9130000000 0.2320000000  Biso 1.0 O  8 c
O14 1.0000000000 0.1770000000 0.9090000000 0.7370000000  Biso 1.0 O  8 c
P16 1.0000000000 0.5250000000 0.6430000000 0.6820000000  Biso 1.0 P  8 c
P17 1.0000000000 0.1040000000 0.9530000000 0.6940000000  Biso 1.0 P  8 c
