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CrystalCell.dat
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CrystalCell.dat
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#F CrystalCell.dat
#UT Crystal structures: Cell dimensions a,b,c, alpha, beta and gamma.
#UIDL xfh
#U3W Sheet_Cell
#C This file has been created using CrystalCell.pro
#C (new structures added by hand)
#D Thu Sep 19 17:22:53 1996
#UD
#UD This file contains the cell constants a b and c in
#UD Anstrongs and the cell angles alpha, beta and gamma
#UD in degrees for a number of crystals.
#UD Created by M. Sanchez del Rio (srio@esrf).
#UD
#UD The strcutures in this file are the same as in CrystalStructures.dat
#UD Reference for almost all data:
#UD R.W.G. Wyckoff, "Crystal Structures" Interscience Publ. 1965
#UD
#S 14 Si
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.26 T=25C
5.43070 5.43070 5.43070 90.0000 90.0000 90.0000
#S 14 Si2
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.26 T=25C
5.43070 5.43070 5.43070 90.0000 90.0000 90.0000
#S 32 Ge
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.26 T=20C
5.65735 5.65735 5.65735 90.0000 90.0000 90.0000
#S 6 Diamond
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.26 T=20C
3.56679 3.56679 3.56679 90.0000 90.0000 90.0000
#S 33 GaAs
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.110
5.65370 5.65370 5.65370 90.0000 90.0000 90.0000
#S 33 GaSb
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C http://www.ioffe.rssi.ru/SVA/NSM/Semicond/GaSb/basic.html
6.09593 6.09593 6.09593 90.0000 90.0000 90.0000
#S 31 GaP
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.110
5.45050 5.45050 5.45050 90.0000 90.0000 90.0000
#S 49 InAs
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.110
6.03600 6.03600 6.03600 90.0000 90.0000 90.0000
#S 49 InP
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.110
5.86870 5.86870 5.86870 90.0000 90.0000 90.0000
#S 51 InSb
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.110 T=25C
6.47820 6.47820 6.47820 90.0000 90.0000 90.0000
#S 14 SiC
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1
4.34800 4.34800 4.34800 90.0000 90.0000 90.0000
#S 17 NaCl
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p. 88, T=18C, 2nd value
5.63978 5.63978 5.63978 90.0000 90.0000 90.0000
#S 55 CsF
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p. 86
6.00800 6.00800 6.00800 90.0000 90.0000 90.0000
#S 9 LiF
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p. 86
4.02630 4.02630 4.02630 90.0000 90.0000 90.0000
#S 19 KCl
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p. 86, T=25C
6.29294 6.29294 6.29294 90.0000 90.0000 90.0000
#S 55 CsCl
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p. 86, T=450C
7.02000 7.02000 7.02000 90.0000 90.0000 90.0000
#S 4 Be
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, T=22C
2.28660 2.28660 3.58330 90.0000 90.0000 120.000
#S 6 Graphite
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, pag 28
2.45600 2.45600 6.69600 90.0000 90.0000 120.000
#S 8 PET
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
6.10000 6.10000 8.73000 90.0000 90.0000 90.0000
#S 14 Beryl
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
9.08800 9.08800 9.18960 90.0000 90.0000 120.000
#S 19 KAP
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
6.46000 9.60000 13.8500 90.0000 90.0000 90.0000
#S 37 RbAP
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
6.56100 10.0640 13.0680 90.0000 90.0000 90.0000
#S 81 TlAP
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
6.61500 10.0470 12.8780 90.0000 90.0000 90.0000
#S 19 Muscovite
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 4, pag 346, KAl2(AlSi3)O10(OH)2 '
5.18900 8.99500 20.0970 90.0000 95.1800 90.0000
#S 14 AlphaQuartz
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, T=25C
4.91304 4.91304 5.40463 90.0000 90.0000 120.000
#S 29 Copper
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Wyckoff vol 1, p.10 T=18C
3.61496 3.61496 3.61496 90.0000 90.0000 90.0000
#S 41 LiNbO3
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C R.S. Weis and T.K. Gaylord, Appl. Phys. 191-203 (1985)
5.148 5.148 13.863 90.0000 90.0000 120.0000
#S 78 Platinum
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
3.9242 3.9242 3.9242 90.0000 90.0000 90.0000
#S 79 Au
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C
4.0782 4.0782 4.0782 90.0000 90.0000 90.0000
#S 13 Sapphire T=250.0K
#N 6
#L X[A] Y[A] Z[A] alpha[deg] beta[deg] gamma[deg]
#C Yuri Shvyd'ko X-ray Optics High Energy Resolution Applications, Springer
4.7581322 4.7581322 12.9883093 90.0 90.0 120.0