# 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:  AlPO4-5

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_oP144_27_6e_24e_6e-001 

# Last updated on 2025/02/17

data_AlPO4-5
_pd_phase_name AlPO4-5
_cell_length_a  13.7940000000
_cell_length_b  23.9000000000
_cell_length_c  8.4168000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pcc2'
_symmetry_Int_Tables_Number  27
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  x,-y,z+1/2
  4  -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
Al1 1.0000000000 0.2920000000 0.1690000000 0.4970000000  Biso 1.0 Al 4 e
Al2 1.0000000000 0.6110000000 0.0610000000 0.5170000000  Biso 1.0 Al 4 e
Al3 1.0000000000 0.1110000000 0.7740000000 0.5000000000  Biso 1.0 Al 4 e
Al4 1.0000000000 0.7880000000 0.6670000000 0.5030000000  Biso 1.0 Al 4 e
Al5 1.0000000000 0.1040000000 0.5610000000 0.4840000000  Biso 1.0 Al 4 e
Al6 1.0000000000 0.6080000000 0.2740000000 0.5120000000  Biso 1.0 Al 4 e
O7  1.0000000000 0.3150000000 0.1080000000 0.1020000000  Biso 1.0 O  4 e
O8  1.0000000000 0.3130000000 0.1770000000 0.2970000000  Biso 1.0 O  4 e
O9  1.0000000000 0.1910000000 0.1810000000 0.0750000000  Biso 1.0 O  4 e
O10 1.0000000000 0.3630000000 0.2060000000 0.0500000000  Biso 1.0 O  4 e
O11 1.0000000000 0.6810000000 0.1030000000 0.0560000000  Biso 1.0 O  4 e
O12 1.0000000000 0.6280000000 0.0690000000 0.3160000000  Biso 1.0 O  4 e
O13 1.0000000000 0.6350000000 0.0030000000 0.0900000000  Biso 1.0 O  4 e
O14 1.0000000000 0.5080000000 0.0780000000 0.0700000000  Biso 1.0 O  4 e
O15 1.0000000000 0.0030000000 0.7890000000 0.0740000000  Biso 1.0 O  4 e
O16 1.0000000000 0.1210000000 0.7830000000 0.2970000000  Biso 1.0 O  4 e
O17 1.0000000000 0.1740000000 0.8160000000 0.0400000000  Biso 1.0 O  4 e
O18 1.0000000000 0.1290000000 0.7160000000 0.0540000000  Biso 1.0 O  4 e
O19 1.0000000000 0.8110000000 0.6080000000 0.0490000000  Biso 1.0 O  4 e
O20 1.0000000000 0.8100000000 0.6600000000 0.3040000000  Biso 1.0 O  4 e
O21 1.0000000000 0.6840000000 0.6820000000 0.1090000000  Biso 1.0 O  4 e
O22 1.0000000000 0.8530000000 0.7080000000 0.0500000000  Biso 1.0 O  4 e
O23 1.0000000000 0.1820000000 0.6040000000 0.0910000000  Biso 1.0 O  4 e
O24 1.0000000000 0.0980000000 0.5590000000 0.2830000000  Biso 1.0 O  4 e
O25 1.0000000000 0.1360000000 0.5040000000 0.0440000000  Biso 1.0 O  4 e
O26 1.0000000000 0.0120000000 0.5780000000 0.0340000000  Biso 1.0 O  4 e
O27 1.0000000000 0.5040000000 0.2880000000 0.0830000000  Biso 1.0 O  4 e
O28 1.0000000000 0.6220000000 0.2880000000 0.3120000000  Biso 1.0 O  4 e
O29 1.0000000000 0.6750000000 0.3140000000 0.0690000000  Biso 1.0 O  4 e
O30 1.0000000000 0.6330000000 0.2140000000 0.1000000000  Biso 1.0 O  4 e
P31 1.0000000000 0.2940000000 0.1690000000 0.1300000000  Biso 1.0 P  4 e
P32 1.0000000000 0.6110000000 0.0630000000 0.1360000000  Biso 1.0 P  4 e
P33 1.0000000000 0.1070000000 0.7740000000 0.1220000000  Biso 1.0 P  4 e
P34 1.0000000000 0.7890000000 0.6650000000 0.1300000000  Biso 1.0 P  4 e
P35 1.0000000000 0.1070000000 0.5600000000 0.1120000000  Biso 1.0 P  4 e
P36 1.0000000000 0.6050000000 0.2730000000 0.1410000000  Biso 1.0 P  4 e
