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Triclinic tridymite (295K) AlPO₄

Triclinic · space group P1 (No. 1) · Pearson aP240

Symmetry elements and Wyckoff positions (interactive)

Triclinic tridymite (295K) AlPO₄ in P1

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 10.013 Å, b = 10.021 Å, c = 41.548 Å; α = 86.56°, β = 83.11°, γ = 60.04°
Cell volume
3585.8 ų
Atoms in the conventional cell
240 (Al 40, O 160, P 40)
Formula units Z
40
Pearson symbol
aP240 — triclinic, primitive lattice, 240 atoms per conventional cell
Symmetry operations
1 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al1a10.06090.88820.2423
Al2Al1a10.60890.38180.4423
Al3Al1a10.53750.89280.4282
Al4Al1a10.03180.88620.4302
Al5Al1a10.22820.07140.3322
Al6Al1a10.71550.04780.3312
Al7Al1a10.77950.50320.3384
Al8Al1a10.27200.56240.3396
Al9Al1a10.13890.40600.2315
Al10Al1a10.64110.39540.2305
Al11Al1a10.56430.88100.2404
Al12Al1a10.44230.03440.9296
Al13Al1a10.30810.08960.1423
Al14Al1a10.86860.03340.1382
Al15Al1a10.83340.61060.1305
Al16Al1a10.38550.55260.1323
Al17Al1a10.28400.37060.0370
Al18Al1a10.75870.39300.0357
Al19Al1a10.67010.89680.0331
Al20Al1a10.17200.90540.0347
Al21Al1a10.93730.07270.9317
Al22Al1a10.16050.57720.5338
Al23Al1a10.10110.38580.4440
Al24Al1a10.46130.53840.9396
Al25Al1a10.97050.58200.9420
Al26Al1a10.84950.39640.8416
Al27Al1a10.35070.39640.8368
Al28Al1a10.34530.87260.8302
Al29Al1a10.83950.87480.8322
Al30Al1a10.95720.08700.7414
Al31Al1a10.45680.08500.7383
Al32Al1a10.04240.56940.7306
Al33Al1a10.55410.55680.7309
Al34Al1a10.65030.58760.5337
Al35Al1a10.58160.04800.5348
Al36Al1a10.08020.05400.5356
Al37Al1a10.92070.91800.6405
Al38Al1a10.40760.87340.6434
Al39Al1a10.46640.34740.6298
Al40Al1a10.94820.41500.6286
O41O1a10.11380.99640.4380
O42O1a10.86490.94000.4562
O43O1a10.61550.00780.4352
O44O1a10.13390.21000.4602
O45O1a10.64370.20960.4610
O46O1a10.23990.42600.4542
O47O1a10.91810.53100.4588
O48O1a10.73870.43420.4524
O49O1a10.42170.52580.4548
O50O1a10.67020.70100.4346
O51O1a10.16310.69260.4352
O52O1a10.40090.90320.3370
O53O1a10.07480.04460.3478
O54O1a10.91160.93800.3348
O55O1a10.63540.92800.3352
O56O1a10.21850.22300.3520
O57O1a10.62510.18920.3606
O58O1a10.13820.50180.3498
O59O1a10.04400.25520.6528
O60O1a10.93910.42140.3604
O61O1a10.73490.92940.5568
O62O1a10.51850.15680.6382
O63O1a10.98710.55680.6390
O64O1a10.75080.48480.6336
O65O1a10.56080.40000.6544
O66O1a10.26840.46640.6368
O67O1a10.47170.67820.6484
O68O1a10.07070.74000.6506
O69O1a10.22240.95180.5614
O70O1a10.92810.01760.5462
O71O1a10.36840.94760.4536
O72O1a10.42550.02280.5482
O73O1a10.01210.24980.5380
O74O1a10.53130.23840.5390
O75O1a10.10680.43700.5354
O76O1a10.82450.52760.5494
O77O1a10.60870.43840.5362
O78O1a10.33160.51000.5508
O79O1a10.50090.74520.5550
O80O1a10.01650.73820.5548
O81O1a10.97770.95880.0420
O82O1a10.83420.21220.1494
O83O1a10.25160.49000.1344
O84O1a10.98000.55880.1552
O85O1a10.76620.48120.1344
O86O1a10.56210.40500.1428
O87O1a10.68430.79460.1408
O88O1a10.32130.70740.1580
O89O1a10.49610.91040.0494
O90O1a10.21330.01060.0594
O91O1a10.17910.28600.1458
O92O1a10.70340.02160.0534
O93O1a10.31570.19320.0514
O94O1a10.77190.22820.0540
O95O1a10.38420.43440.0572
O96O1a10.08740.50180.0414
O97O1a10.86770.45000.0546
O98O1a10.56570.53560.0390
O99O1a10.81920.70940.0362
O101O1a10.24330.44560.2558
O102O1a10.42220.46780.3638
O103O1a10.64530.68360.3538
O104O1a10.18450.75940.3456
O105O1a10.36870.93820.2444
O106O1a10.08620.03540.2550
O107O1a10.86780.93860.2508
O108O1a10.58760.02380.2560
O109O1a10.18240.21560.2356
O110O1a10.68000.20680.2352
O111O1a10.69420.38780.3418
O112O1a10.94110.52660.2412
O113O1a10.75300.43040.2536
O114O1a10.44570.52080.2418
O115O1a10.66520.70900.2606
O116O1a10.17650.71880.2622
O117O1a10.47250.04880.1602
O118O1a10.22410.98940.1624
O119O1a10.05820.89600.1436
O120O1a10.74410.98580.1620
O121O1a10.68360.42500.1898
O122O1a10.11090.38000.4022
O123O1a10.63040.36060.4006
O124O1a10.49500.91780.3882
O125O1a10.98590.91560.3906
O126O1a10.21580.11320.2912
O127O1a10.68880.13140.2930
O128O1a10.83910.51580.2980
O129O1a10.34500.51880.2992
O130O1a10.18820.43440.1912
O131O1a10.18300.62820.4937
O132O1a10.63480.85480.1996
O133O1a10.11250.86200.2009
O134O1a10.35650.03720.1018
O135O1a10.84220.03380.0978
O136O1a10.90560.61420.0906
O137O1a10.41010.60920.0927
O138O1a10.35000.35600.9960
O139O1a10.83010.35660.9952
O140O1a10.65940.94680.9924
O141O1a10.49950.11520.6977
O142O1a10.93250.05820.8906
O143O1a10.41470.08920.8894
O144O1a10.49010.59900.9007
O145O1a10.03320.57060.9009
O146O1a10.85320.45600.8016
O147O1a10.35920.45280.7967
O148O1a10.33630.85800.7893
O149O1a10.82610.85400.7918
O150O1a10.98350.12820.7008
O151O1a10.75210.96080.6650
O152O1a10.64100.52460.6914
O153O1a10.10720.52980.6898
O154O1a10.01570.36640.5882
O155O1a10.52730.36180.5895
O156O1a10.39880.91980.6027
O157O1a10.88790.91960.6005
O158O1a10.15510.99380.4960
O159O1a10.63380.99840.4940
O160O1a10.66560.63760.4933
O161O1a10.96810.45080.7450
O162O1a10.38860.50540.8612
O163O1a10.16810.42260.8498
O164O1a10.47930.69340.8440
O165O1a10.97250.69780.8472
O166O1a10.12950.93560.7530
O167O1a10.81570.03400.7470
O168O1a10.62400.94360.7538
O169O1a10.32190.02320.7414
O170O1a10.90010.24960.7642
O171O1a10.38170.25500.7596
O172O1a10.11320.92840.9432
O173O1a10.69090.52140.7568
O174O1a10.48030.43340.7400
O175O1a10.19520.53380.7518
O176O1a10.40480.74620.7342
O177O1a10.90000.76100.7350
O178O1a10.22570.97840.6642
O179O1a10.96880.05900.6454
O180O1a10.53500.91460.6594
O181O1a10.21300.94160.9943
O182O1a10.89310.50240.8654
O183O1a10.66750.42360.8556
O184O1a10.78820.05320.9530
O185O1a10.63910.94100.9336
O186O1a10.37020.91140.9408
O187O1a10.91460.25140.9394
O188O1a10.34510.19580.9540
O189O1a10.83160.52600.9488
O190O1a10.63730.43720.9556
O191O1a10.38230.41940.9380
O192O1a10.33500.69620.9639
O193O1a10.89100.77000.9554
O194O1a10.16550.92580.8512
O195O1a10.90200.00660.8354
O196O1a10.66100.93380.8542
O197O1a10.40370.00500.8356
O198O1a10.98230.20140.8440
O199O1a10.48480.20240.8400
O200O1a10.12620.46220.9634
P201P1a10.70570.07500.2586
P202P1a10.21320.07540.2564
P203P1a10.04030.91280.3546
P204P1a10.54530.85780.3536
P205P1a10.59170.35180.3667
P206P1a10.10230.38160.3659
P207P1a10.25310.56840.4594
P208P1a10.74880.57660.4597
P209P1a10.68910.04060.4613
P210P1a10.19220.03800.4616
P211P1a10.79940.54540.2630
O100O1a10.28170.71020.0424
P212P1a10.30210.55140.2644
P213P1a10.15090.44120.1565
P214P1a10.71180.38120.1542
P215P1a10.63490.92060.1657
P216P1a10.17980.86420.1663
P217P1a10.34390.03920.0656
P218P1a10.82380.06040.0617
P219P1a10.91950.56840.0556
P220P1a10.41070.57100.0576
P221P1a10.35520.41780.7618
P222P1a10.80300.39380.9597
P223P1a10.30030.35900.9627
P224P1a10.25730.87120.9606
P225P1a10.74500.92700.9586
P226P1a10.99470.04820.8550
P227P1a10.49030.05680.8546
P228P1a10.50520.55620.8654
P229P1a10.01560.54960.8660
P230P1a10.85450.41840.7665
P231P1a10.89230.90100.5643
P232P1a10.29810.89020.7544
P233P1a10.79160.89800.7569
P234P1a10.05680.10460.6658
P235P1a10.57670.03760.6650
P236P1a10.60630.52320.6568
P237P1a10.10980.57240.6541
P238P1a10.98850.39640.5526
P239P1a10.49950.38720.5539
P240P1a10.38770.90780.5668

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 240 atoms drawn above are these sites multiplied by all 1 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

AB4C_aP240_1_40a_160a_40a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP240, then the space-group number 1, then the Wyckoff letters occupied by each element in turn (Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; Al: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; O: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a; P: 1a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Triclinic tridymite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4C_aP240_1_40a_160a_40a-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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