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The crystal structure of Na 3 HP 2 O 7 ⋅ H 2 O from X-ray powder diffraction data

✍ Scribed by Ivashkevich, L. S.; Selevich, K. A.; Lyakhov, A. S.; Selevich, A. F.; Petrusevich, Yu. I.

Book ID
118149550
Publisher
Oldenbourg Wissenschaftsverlag
Year
2002
Tongue
English
Weight
253 KB
Volume
217
Category
Article
ISSN
2194-4946

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✦ Synopsis

Abstract

The crystal structure of Na~3~HP~2~O~7~ ⋅ H~2~O has been determined from X-ray powder diffraction data. The structure is monoclinic, space group __P__2~1~/n (No. 14), with unit cell dimensions a = 10.4242(1) Å, b = 6.8707(1) Å, c = 10.0837(1) Å, β = 99.2258(7)°, V = 712.87(2) Å^3^, Z = 4, D
~m~ = 2.43 g/cm^3^ and D
~x~ = 2.41 g/cm^3^. The structure has been solved by direct methods using EXPO program and refined by FULLPROF package. The final R
~Bragg~ value was 7.6%. Positions of hydrogen atoms were not defined. There are three sodium cations in the asymmetric unit. Two of them are five-coordinated and one cation has sixfold oxygen coordination. Each HP~2~O~7~
^3–^ anion is hydrogen bonded to its two adjacent neighbours forming infinite chains parallel to the b axis. Water molecules are located in infinite channels extended along the b direction. The oxygen atom of the water molecule is connected with two sodium cations and hydrogen bonded with one oxygen atom of diphosphate group.

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