# 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 (473K tridymite)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_mP12_4_a_4a_a-001 

# Last updated on 2025/02/27

data_AlPO4
_pd_phase_name AlPO4
_cell_length_a  5.0748000000
_cell_length_b  8.3009000000
_cell_length_c  5.0800000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  119.6250000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}'
_symmetry_Int_Tables_Number  4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z
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 0.3639000000 0.0625000000 0.6461000000  Biso 1.0 Al 2 a
O2  1.0000000000 0.3327000000 0.2621000000 0.6654000000  Biso 1.0 O  2 a
O3  1.0000000000 0.0220000000 0.9774000000 0.4550000000  Biso 1.0 O  2 a
O4  1.0000000000 0.5490000000 0.9837000000 0.9930000000  Biso 1.0 O  2 a
O5  1.0000000000 0.5590000000 0.0247000000 0.4650000000  Biso 1.0 O  2 a
P6  1.0000000000 0.3018000000 0.4371000000 0.6863000000  Biso 1.0 P  2 a
