The detailed crystal structure as well as the heat capacity at low temperature and standard entropy of Ba2MoO5 are reported for the first time. High-resolution X-ray and neutron diffraction were employed to reveal the structural features of this compound. Ba2MoO5 has a six-coordinated Mo and a strongly negative excess volume with respect to the binary oxides. X-ray absorption near edge structure (XANES) spectroscopy at the Mo K-edge shows Mo to be in the oxidation state 6+. The pre-edge peak in the XANES spectrum indicates a distorted octahedral
environment, in line with the results from diffraction studies and FDMNES calculations. The standard entropy and heat capacity of Ba2MoO5 at 298.15 K, determined with a thermal-relaxation
technique, are calculated to be respectively 223.2 ± 7 and 184.7 ± 5 J·K−1·mol−1. The obtained thermodynamic properties are discussed in the context of the literature reports on molybdate
compounds.
VAN HATTEM Andries;
DE GEUS Laurent;
SACRISTÀN Ana;
DANKELMAN Robert;
COUWELEERS Sebastian;
HENNIG Christoph;
GRIVEAU Jean-Christophe;
COLINEAU Eric;
DARDENNE Kathy;
ROTHE Jorg;
PRUESSMANN Tim;
KONINGS R. J. M.;
SMITH Anna;
2025-01-20
AMER CHEMICAL SOC
JRC139152
1520-510X (online),
0020-1669 (print),
https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c03617,
https://publications.jrc.ec.europa.eu/repository/handle/JRC139152,
10.1021/acs.inorgchem.4c03617 (online),
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