Re: Mono sulphate

Alan Hewat, ILL Grenoble ( hewat@ill.fr )
Thu, 30 Jan 1997 08:50:14 +0200

KJO Kristian Johnsen RDA <KJO@eds.flsco.fls.dk> wrote 30 Jan 1997:

>Can anybody help med with information about the crystal structure of
>Mono sulphate (Ca4Al2SO10*12H2O). It is a phase formed during cement
>hydration. The JCPD number is 18-275.

Hello again Kristian,

Did you find an answer to your previous question about tetragonal Na(AlO2) ?
>according to JCPD.The data is: CELL A=5.325 B=5.325 C=7.058 AL=90.
>BE=90. GA=90. V=200.13 Z=4.

And is it related to the orthorhombic Na(AlO2) listed in ICSD with a similar cell?
A=5.38712(18) B=7.03203(23) C=5.21798(17) AL=90 BE=90 GA=90

The JCPD contains lots of X-ray powder patterns of phases for which the crystal
structure is not actually done, though ICSD may contain closely related phases.
You should then quote the unit cell to help search for possibly related phases.

In the case of your new query about Ca4Al2(SO4)O6*12H2O, I guess you have
eliminated the mineral "Chukrovite" Ca4Al2(SO4)F12*12H2O as a possibly
related structure ? JSSC B115 (1995) P. 126-139. Space group Fd3-
CELL A=16.80 B=16.80 C=16.80 AL=90. BE=90. GA=90. V=4741.6 Z=8
SGR FD3-s

And remember, these X-ray people don't always get the light atoms right :-)

Regards, Alan H.

Alan Hewat, ILL Grenoble, FRANCE fax (33) 4.76.48.39.06 hewat@ill.fr
ftp://ftp.ill.fr/pub/dif http://www.ill.fr/dif/