# 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:  AlPO4-41

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_mP60_4_5a_20a_5a-001 

# Last updated on 2025/02/22

data_AlPO4-41
_pd_phase_name AlPO4-41
_cell_length_a  13.7915000000
_cell_length_b  8.3591000000
_cell_length_c  9.7179000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  110.6000000000
_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 0.1220000000 0.6380000000  0.5620000000  Biso 1.0 Al 2 a
Al2 1.0000000000 0.2780000000 0.1240000000  0.8520000000  Biso 1.0 Al 2 a
Al3 1.0000000000 0.4430000000 0.6270000000  0.7250000000  Biso 1.0 Al 2 a
Al4 1.0000000000 0.6660000000 0.1420000000  0.8260000000  Biso 1.0 Al 2 a
Al5 1.0000000000 0.7430000000 0.6720000000  0.5800000000  Biso 1.0 Al 2 a
O6  1.0000000000 0.1380000000 0.1460000000  0.4490000000  Biso 1.0 O  2 a
O7  1.0000000000 0.1270000000 0.8390000000  0.5430000000  Biso 1.0 O  2 a
O8  1.0000000000 0.1560000000 0.0420000000  0.7080000000  Biso 1.0 O  2 a
O9  1.0000000000 0.9760000000 0.0480000000  0.5180000000  Biso 1.0 O  2 a
O10 1.0000000000 0.3850000000 0.5480000000  0.8350000000  Biso 1.0 O  2 a
O11 1.0000000000 0.2940000000 0.5590000000 -0.0060000000  Biso 1.0 O  2 a
O12 1.0000000000 0.1580000000 0.5490000000  0.7430000000  Biso 1.0 O  2 a
O13 1.0000000000 0.2580000000 0.3130000000  0.8550000000  Biso 1.0 O  2 a
O14 1.0000000000 0.3930000000 0.0570000000  0.8250000000  Biso 1.0 O  2 a
O15 1.0000000000 0.5510000000 0.1100000000  0.7520000000  Biso 1.0 O  2 a
O16 1.0000000000 0.3420000000 0.0190000000  0.5450000000  Biso 1.0 O  2 a
O17 1.0000000000 0.4480000000 0.8270000000  0.7510000000  Biso 1.0 O  2 a
O18 1.0000000000 0.7450000000 0.6200000000  0.7540000000  Biso 1.0 O  2 a
O19 1.0000000000 0.5540000000 0.5720000000  0.7750000000  Biso 1.0 O  2 a
O20 1.0000000000 0.6830000000 0.3270000000  0.8010000000  Biso 1.0 O  2 a
O21 1.0000000000 0.7300000000 0.5550000000 -0.0220000000  Biso 1.0 O  2 a
O22 1.0000000000 0.7420000000 0.0610000000  0.7440000000  Biso 1.0 O  2 a
O23 1.0000000000 0.6790000000 0.8340000000  0.5340000000  Biso 1.0 O  2 a
O24 1.0000000000 0.8060000000 0.0890000000  0.5460000000  Biso 1.0 O  2 a
O25 1.0000000000 0.6050000000 0.0890000000  0.4640000000  Biso 1.0 O  2 a
P26 1.0000000000 0.0960000000 0.0220000000  0.5480000000  Biso 1.0 P  2 a
P27 1.0000000000 0.2840000000 0.4990000000  0.8590000000  Biso 1.0 P  2 a
P28 1.0000000000 0.4400000000 0.0080000000  0.7130000000  Biso 1.0 P  2 a
P29 1.0000000000 0.6710000000 0.5180000000  0.8280000000  Biso 1.0 P  2 a
P30 1.0000000000 0.7160000000 0.0160000000  0.5610000000  Biso 1.0 P  2 a
