# 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:  AlPO4-25 (HT)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB2_oC72_67_mo_cgilno-001 

# Last updated on 2025/02/22

data_AlPO4-25
_pd_phase_name AlPO4-25
_cell_length_a  15.2028000000
_cell_length_b  8.4084000000
_cell_length_c  9.4489000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cmme'
_symmetry_Int_Tables_Number  67
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y+1/2,z
  3  -x,y+1/2,-z
  4  x,-y,-z
  5  -x,-y,-z
  6  x,y+1/2,-z
  7  x,-y+1/2,z
  8  -x,y,z
  9  x+1/2,y+1/2,z
  10  -x+1/2,-y,z
  11  -x+1/2,y,-z
  12  x+1/2,-y+1/2,-z
  13  -x+1/2,-y+1/2,-z
  14  x+1/2,y,-z
  15  x+1/2,-y,z
  16  -x+1/2,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
O3  1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 O   4 c
O4  1.0000000000 0.0000000000 0.2500000000 0.8924000000  Biso 1.0 O   4 g
O5  1.0000000000 0.1225000000 0.0000000000 0.5000000000  Biso 1.0 O   8 i
O6  1.0000000000 0.2500000000 0.0000000000 0.6983000000  Biso 1.0 O   8 l
Al1 1.0000000000 0.0000000000 0.0652000000 0.8434000000  Biso 1.0 Al  8 m
O7  1.0000000000 0.6529000000 0.2500000000 0.6692000000  Biso 1.0 O   8 n
Al2 1.0000000000 0.1518000000 0.9487000000 0.6465000000  Biso 1.0 Al 16 o
O8  1.0000000000 0.0875000000 0.9997000000 0.7683000000  Biso 1.0 O  16 o
