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Acta Crystallogr E Crystallogr Commun. 2017 Jun 16;73(Pt 7):1037-1040. doi: 10.1107/S2056989017008362. eCollection 2017 Jul 1.

Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single-crystal X-ray data.

Author information

1
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninsky prospekt, 119071 Moscow, Russian Federation.
2
Medical University Reaviz, 2 Krasnobogatyrskaya, building 2, 107564 Moscow, Russian Federation.
3
D. Mendeleyev University of Chemical Technology of Russia, 9 Miusskaya pl., 125047 Moscow, Russian Federation.
4
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninsky prospect, 119991 Moscow, Russian Federation.
5
National Research Nuclear University, 31 Kashirskoye sh., 115409 Moscow, Russian Federation.

Abstract

The redetermination of the title compound, sodium pertechnate, from single-crystal CCD data recorded both at 296 and 100 K confirms previous studies based on X-ray powder diffraction film data [Schwochau (1962 ▸). Z. Naturforsch. Teil A, 17, 630; Keller & Kanellakopulos (1963 ▸). Radiochim. Acta, 1, 107-108] and neutron powder diffraction data using the Rietveld method [Weaver et al. (2017 ▸). Inorg. Chem.12, 677-681], but reveals a considerable improvement in precision. The standard uncertainties of the room-temperature structure determination are about seven times lower than those of the neutron diffraction structure determination and about 13 times lower at 100 K, due to the decrease in the amplitude of librations. The crystal expansion could be approximated linearly with a thermal volumic expansion coefficient of 1.19 (12) × 10-4 K-1. NaTcO4 adopts the scheelite (CaWO4) structure type in space group type I41/a with Na and Tc atoms (both with site symmetry -4) replacing Ca and W atoms, respectively.

KEYWORDS:

Technetium; crystal structure; high precision; low temperature; redetermination; sodium

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