# 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 (tridymite)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_mP288_7_24a_96a_24a-001 

# Last updated on 2025/02/28

data_AlPO4
_pd_phase_name AlPO4
_cell_length_a  37.3863000000
_cell_length_b  5.0455000000
_cell_length_c  26.2217000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  117.8160000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pc'
_symmetry_Int_Tables_Number  7
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  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 0.9900000000 0.1840000000 0.9620000000  Biso 1.0 Al 2 a
Al2  1.0000000000 0.9837000000 0.3063000000 0.3007000000  Biso 1.0 Al 2 a
Al3  1.0000000000 0.9723000000 0.1944000000 0.6239000000  Biso 1.0 Al 2 a
Al4  1.0000000000 0.8639000000 0.3016000000 0.4349000000  Biso 1.0 Al 2 a
Al5  1.0000000000 0.8539000000 0.3193000000 0.7634000000  Biso 1.0 Al 2 a
Al6  1.0000000000 0.8524000000 0.2123000000 0.1046000000  Biso 1.0 Al 2 a
Al7  1.0000000000 0.7417000000 0.1803000000 0.4706000000  Biso 1.0 Al 2 a
Al8  1.0000000000 0.7327000000 0.2706000000 0.8040000000  Biso 1.0 Al 2 a
Al9  1.0000000000 0.7216000000 0.3023000000 0.1283000000  Biso 1.0 Al 2 a
Al10 1.0000000000 0.6154000000 0.2090000000 0.9312000000  Biso 1.0 Al 2 a
Al11 1.0000000000 0.6049000000 0.3523000000 0.2595000000  Biso 1.0 Al 2 a
Al12 1.0000000000 0.6004000000 0.2024000000 0.5986000000  Biso 1.0 Al 2 a
Al13 1.0000000000 0.4931000000 0.2940000000 0.9643000000  Biso 1.0 Al 2 a
Al14 1.0000000000 0.4837000000 0.2798000000 0.2972000000  Biso 1.0 Al 2 a
Al15 1.0000000000 0.4752000000 0.2934000000 0.6239000000  Biso 1.0 Al 2 a
Al16 1.0000000000 0.3669000000 0.2056000000 0.4372000000  Biso 1.0 Al 2 a
Al17 1.0000000000 0.3552000000 0.3167000000 0.7663000000  Biso 1.0 Al 2 a
Al18 1.0000000000 0.3531000000 0.2955000000 0.1047000000  Biso 1.0 Al 2 a
Al19 1.0000000000 0.2409000000 0.3252000000 0.4644000000  Biso 1.0 Al 2 a
Al20 1.0000000000 0.2331000000 0.2008000000 0.8005000000  Biso 1.0 Al 2 a
Al21 1.0000000000 0.2245000000 0.3021000000 0.1257000000  Biso 1.0 Al 2 a
Al22 1.0000000000 0.1170000000 0.2937000000 0.9379000000  Biso 1.0 Al 2 a
Al23 1.0000000000 0.1038000000 0.1805000000 0.2665000000  Biso 1.0 Al 2 a
Al24 1.0000000000 0.1013000000 0.2091000000 0.6043000000  Biso 1.0 Al 2 a
O25  1.0000000000 0.9978000000 0.1397000000 0.4873000000  Biso 1.0 O  2 a
O26  1.0000000000 0.0039000000 0.3953000000 0.0203000000  Biso 1.0 O  2 a
O27  1.0000000000 0.0188000000 0.2464000000 0.9272000000  Biso 1.0 O  2 a
O28  1.0000000000 0.0148000000 0.9040000000 0.8561000000  Biso 1.0 O  2 a
O29  1.0000000000 0.9948000000 0.3680000000 0.8240000000  Biso 1.0 O  2 a
O30  1.0000000000 0.9907000000 0.2570000000 0.2407000000  Biso 1.0 O  2 a
O31  1.0000000000 0.9858000000 0.1310000000 0.1457000000  Biso 1.0 O  2 a
O32  1.0000000000 0.0021000000 0.4050000000 0.6801000000  Biso 1.0 O  2 a
O33  1.0000000000 0.9791000000 0.2600000000 0.5641000000  Biso 1.0 O  2 a
O34  1.0000000000 0.9394000000 0.2340000000 0.9140000000  Biso 1.0 O  2 a
O35  1.0000000000 0.9337000000 0.2430000000 0.2830000000  Biso 1.0 O  2 a
O36  1.0000000000 0.9220000000 0.2420000000 0.6064000000  Biso 1.0 O  2 a
O37  1.0000000000 0.8862000000 0.9270000000 0.9092000000  Biso 1.0 O  2 a
O38  1.0000000000 0.8858000000 0.3910000000 0.9381000000  Biso 1.0 O  2 a
O39  1.0000000000 0.8689000000 0.2870000000 0.8363000000  Biso 1.0 O  2 a
O40  1.0000000000 0.8815000000 0.1080000000 0.7430000000  Biso 1.0 O  2 a
O41  1.0000000000 0.8615000000 0.3570000000 0.2480000000  Biso 1.0 O  2 a
O42  1.0000000000 0.8862000000 0.2330000000 0.1775000000  Biso 1.0 O  2 a
O43  1.0000000000 0.8518000000 0.1080000000 0.5799000000  Biso 1.0 O  2 a
O44  1.0000000000 0.8665000000 0.4280000000 0.0656000000  Biso 1.0 O  2 a
O45  1.0000000000 0.8711000000 0.2135000000 0.5029000000  Biso 1.0 O  2 a
O46  1.0000000000 0.8126000000 0.3170000000 0.3875000000  Biso 1.0 O  2 a
O47  1.0000000000 0.8030000000 0.2450000000 0.7240000000  Biso 1.0 O  2 a
O48  1.0000000000 0.8044000000 0.2930000000 0.0944000000  Biso 1.0 O  2 a
O49  1.0000000000 0.7524000000 0.3958000000 0.5274000000  Biso 1.0 O  2 a
O50  1.0000000000 0.7540000000 0.1403000000 0.9971000000  Biso 1.0 O  2 a
O51  1.0000000000 0.7693000000 0.2660000000 0.4353000000  Biso 1.0 O  2 a
O52  1.0000000000 0.7390000000 0.4120000000 0.3327000000  Biso 1.0 O  2 a
O53  1.0000000000 0.7626000000 0.0520000000 0.8585000000  Biso 1.0 O  2 a
O54  1.0000000000 0.7470000000 0.2660000000 0.7501000000  Biso 1.0 O  2 a
O55  1.0000000000 0.7339000000 0.3708000000 0.6501000000  Biso 1.0 O  2 a
O56  1.0000000000 0.7489000000 0.9070000000 0.6861000000  Biso 1.0 O  2 a
O57  1.0000000000 0.7326000000 0.2351000000 0.0723000000  Biso 1.0 O  2 a
O58  1.0000000000 0.6907000000 0.1950000000 0.4224000000  Biso 1.0 O  2 a
O59  1.0000000000 0.6823000000 0.1810000000 0.7760000000  Biso 1.0 O  2 a
O60  1.0000000000 0.6704000000 0.2530000000 0.1053000000  Biso 1.0 O  2 a
O61  1.0000000000 0.6486000000 0.4240000000 0.9230000000  Biso 1.0 O  2 a
O62  1.0000000000 0.6234000000 0.1140000000 0.4161000000  Biso 1.0 O  2 a
O63  1.0000000000 0.6287000000 0.3110000000 0.3335000000  Biso 1.0 O  2 a
O64  1.0000000000 0.6110000000 0.3220000000 0.7436000000  Biso 1.0 O  2 a
O65  1.0000000000 0.6262000000 0.1420000000 0.2287000000  Biso 1.0 O  2 a
O66  1.0000000000 0.6345000000 0.2230000000 0.6713000000  Biso 1.0 O  2 a
O67  1.0000000000 0.6150000000 0.4170000000 0.5600000000  Biso 1.0 O  2 a
O68  1.0000000000 0.5995000000 0.1190000000 0.0743000000  Biso 1.0 O  2 a
O69  1.0000000000 0.6222000000 0.2232000000 0.0010000000  Biso 1.0 O  2 a
O70  1.0000000000 0.5662000000 0.3020000000 0.8836000000  Biso 1.0 O  2 a
O71  1.0000000000 0.5540000000 0.2820000000 0.2319000000  Biso 1.0 O  2 a
O72  1.0000000000 0.5523000000 0.2868000000 0.5875000000  Biso 1.0 O  2 a
O73  1.0000000000 0.5132000000 0.0836000000 0.0234000000  Biso 1.0 O  2 a
O74  1.0000000000 0.4984000000 0.3802000000 0.4879000000  Biso 1.0 O  2 a
O75  1.0000000000 0.5183000000 0.2510000000 0.9237000000  Biso 1.0 O  2 a
O76  1.0000000000 0.5169000000 0.9320000000 0.8503000000  Biso 1.0 O  2 a
O77  1.0000000000 0.4934000000 0.3950000000 0.8216000000  Biso 1.0 O  2 a
O78  1.0000000000 0.4889000000 0.2460000000 0.2353000000  Biso 1.0 O  2 a
O79  1.0000000000 0.5060000000 0.0829000000 0.6795000000  Biso 1.0 O  2 a
O80  1.0000000000 0.4894000000 0.3806000000 0.1445000000  Biso 1.0 O  2 a
O81  1.0000000000 0.4800000000 0.2233000000 0.5627000000  Biso 1.0 O  2 a
O82  1.0000000000 0.4423000000 0.2230000000 0.9221000000  Biso 1.0 O  2 a
O83  1.0000000000 0.4345000000 0.2010000000 0.2816000000  Biso 1.0 O  2 a
O84  1.0000000000 0.4253000000 0.2480000000 0.6090000000  Biso 1.0 O  2 a
O85  1.0000000000 0.3825000000 0.1170000000 0.9360000000  Biso 1.0 O  2 a
O86  1.0000000000 0.3952000000 0.4192000000 0.4184000000  Biso 1.0 O  2 a
O87  1.0000000000 0.3737000000 0.2480000000 0.8389000000  Biso 1.0 O  2 a
O88  1.0000000000 0.3768000000 0.1070000000 0.7359000000  Biso 1.0 O  2 a
O89  1.0000000000 0.3656000000 0.3570000000 0.2571000000  Biso 1.0 O  2 a
O90  1.0000000000 0.3837000000 0.2640000000 0.1784000000  Biso 1.0 O  2 a
O91  1.0000000000 0.3696000000 0.0823000000 0.0681000000  Biso 1.0 O  2 a
O92  1.0000000000 0.3552000000 0.3815000000 0.5834000000  Biso 1.0 O  2 a
O93  1.0000000000 0.3737000000 0.2791000000 0.5056000000  Biso 1.0 O  2 a
O94  1.0000000000 0.3163000000 0.2340000000 0.3873000000  Biso 1.0 O  2 a
O95  1.0000000000 0.3033000000 0.2710000000 0.7314000000  Biso 1.0 O  2 a
O96  1.0000000000 0.3036000000 0.2210000000 0.0878000000  Biso 1.0 O  2 a
O97  1.0000000000 0.2507000000 0.3509000000 0.9895000000  Biso 1.0 O  2 a
O98  1.0000000000 0.2553000000 0.1135000000 0.5227000000  Biso 1.0 O  2 a
O99  1.0000000000 0.2680000000 0.2523000000 0.4276000000  Biso 1.0 O  2 a
O100 1.0000000000 0.2643000000 0.4120000000 0.8555000000  Biso 1.0 O  2 a
O101 1.0000000000 0.2438000000 0.1240000000 0.3247000000  Biso 1.0 O  2 a
O102 1.0000000000 0.2406000000 0.2420000000 0.7406000000  Biso 1.0 O  2 a
O103 1.0000000000 0.2375000000 0.3710000000 0.6470000000  Biso 1.0 O  2 a
O104 1.0000000000 0.2545000000 0.9080000000 0.6819000000  Biso 1.0 O  2 a
O105 1.0000000000 0.2314000000 0.2380000000 0.0659000000  Biso 1.0 O  2 a
O106 1.0000000000 0.1898000000 0.2880000000 0.4180000000  Biso 1.0 O  2 a
O107 1.0000000000 0.1831000000 0.2700000000 0.7816000000  Biso 1.0 O  2 a
O108 1.0000000000 0.1742000000 0.2540000000 0.1080000000  Biso 1.0 O  2 a
O109 1.0000000000 0.1318000000 0.3810000000 0.4367000000  Biso 1.0 O  2 a
O110 1.0000000000 0.1469000000 0.0820000000 0.9217000000  Biso 1.0 O  2 a
O111 1.0000000000 0.1198000000 0.2350000000 0.3391000000  Biso 1.0 O  2 a
O112 1.0000000000 0.1292000000 0.3890000000 0.2416000000  Biso 1.0 O  2 a
O113 1.0000000000 0.1127000000 0.1470000000 0.7555000000  Biso 1.0 O  2 a
O114 1.0000000000 0.1313000000 0.2500000000 0.6779000000  Biso 1.0 O  2 a
O115 1.0000000000 0.1174000000 0.4217000000 0.5671000000  Biso 1.0 O  2 a
O116 1.0000000000 0.1049000000 0.1147000000 0.0847000000  Biso 1.0 O  2 a
O117 1.0000000000 0.1220000000 0.2181000000 0.0053000000  Biso 1.0 O  2 a
O118 1.0000000000 0.0669000000 0.2570000000 0.8864000000  Biso 1.0 O  2 a
O119 1.0000000000 0.0524000000 0.2410000000 0.2280000000  Biso 1.0 O  2 a
O120 1.0000000000 0.0512000000 0.2710000000 0.5859000000  Biso 1.0 O  2 a
P121 1.0000000000 0.8950000000 0.2108000000 0.8990000000  Biso 1.0 P  2 a
P122 1.0000000000 0.8906000000 0.1824000000 0.2375000000  Biso 1.0 P  2 a
P123 1.0000000000 0.8778000000 0.2839000000 0.5631000000  Biso 1.0 P  2 a
P124 1.0000000000 0.7708000000 0.2350000000 0.3785000000  Biso 1.0 P  2 a
P125 1.0000000000 0.7581000000 0.1980000000 0.7028000000  Biso 1.0 P  2 a
P126 1.0000000000 0.7607000000 0.3174000000 0.0477000000  Biso 1.0 P  2 a
P127 1.0000000000 0.6478000000 0.3004000000 0.3988000000  Biso 1.0 P  2 a
P128 1.0000000000 0.6387000000 0.1468000000 0.7301000000  Biso 1.0 P  2 a
P129 1.0000000000 0.6267000000 0.2943000000 0.0599000000  Biso 1.0 P  2 a
P130 1.0000000000 0.5234000000 0.2202000000 0.8699000000  Biso 1.0 P  2 a
P131 1.0000000000 0.5097000000 0.2064000000 0.1980000000  Biso 1.0 P  2 a
P132 1.0000000000 0.5108000000 0.2025000000 0.5403000000  Biso 1.0 P  2 a
P133 1.0000000000 0.3983000000 0.2926000000 0.9035000000  Biso 1.0 P  2 a
P134 1.0000000000 0.3900000000 0.1802000000 0.2377000000  Biso 1.0 P  2 a
P135 1.0000000000 0.3810000000 0.2062000000 0.5660000000  Biso 1.0 P  2 a
P136 1.0000000000 0.2730000000 0.2990000000 0.3739000000  Biso 1.0 P  2 a
P137 1.0000000000 0.2589000000 0.1977000000 0.7004000000  Biso 1.0 P  2 a
P138 1.0000000000 0.2602000000 0.1758000000 0.0415000000  Biso 1.0 P  2 a
P139 1.0000000000 0.1470000000 0.2052000000 0.4036000000  Biso 1.0 P  2 a
P140 1.0000000000 0.1389000000 0.3194000000 0.7385000000  Biso 1.0 P  2 a
P141 1.0000000000 0.1296000000 0.2913000000 0.0658000000  Biso 1.0 P  2 a
P142 1.0000000000 0.0237000000 0.1940000000 0.8737000000  Biso 1.0 P  2 a
P143 1.0000000000 0.0076000000 0.3056000000 0.1989000000  Biso 1.0 P  2 a
P144 1.0000000000 0.0079000000 0.3159000000 0.5393000000  Biso 1.0 P  2 a
