Crystal structure of K₂HPO₄ .3 H₂O from laboratory powder data

J. Maixner, V. Novotný

Central laboratories, Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic

maixnerj@vscht.cz

The Potassium Hydrogen Phosphate Trihydrate (K₂HPO₄ .3 H₂O) has got its entry in the PDF4+[1] - Card No. 00-025-0640(Technisch Physische Dienst, Delft, Netherlands, ICDD Grant-in-Aid), but its crystal structure has not been determined yet. X-ray powder diffraction data, unit-cell parameters, space group and crystal structure for K₂HPO₄ .3 H₂O will be reported [a = 7.7882(7) Å, b = 13.838(1) Å, c = 13.833(2) Å, unit-cell volume V = 1491 ų, Z = 8, orthorhombic system, space group Pbca]. The experimental powder diffraction pattern was indexed by DICVOL04[2], solved in direct space by DASH[3] and refined in HighScore Plus 3.0e [4]. The results of X-ray powder diffraction structure determination will be presented.

1. ICDD,"Powder Diffraction File," edited by Frank McClune, International Centre for Diffraction

Data, 12 Campus Boulevard, Newton Square, Pennsylvania 19073-3272, 2012.

2. A.Boultif & D.Louër. J.Appl. Crystallogr. 37, (2004) 724–731.

3. W. I. F.David, K.Shankland, J. van de Streek, E. Pidcock, W. D. S. Motherwell, J. C. Cole. J. Appl. Cryst., 39,

(2006), 910-915

4. HighScore Plus , Full Powder Pattern Analysis Software, V3.0e, PANalytical, Almelo, Holland