Although compound
formation between two elements is well studied,
thorough investigations make it possible to uncover new binary compounds.
A re-examination of the La–Au system revealed three new phases,
which were characterized with respect to their structural and electronic
properties as well as thermal stability: La
7
Au
3
(Th
7
Fe
3
type, space group
P
6
3
mc
, Pearson code
hP
20) appears to be metastable. It can be obtained by slow crystallization
from a stoichiometric melt. La
3
Au
2
(U
3
Si
2
type, space group
P
4/
mbm
, Pearson code
tP
10) is stable up to 1013 K, where
it decomposes peritectically. La
3
Au
4
(Pu
3
Pd
4
type, space group
R
3̅,
Pearson code
hR
14) is thermally stable up to at least
1273 K. In addition, the crystal structures of La
2
Au (
anti
-PbCl
2
type, space group
Pnma
, Pearson code
oP
12) and α-LaAu (FeB type,
space group
Pnma
, Pearson code
oP
8) could be determined by single-crystal X-ray diffraction. The electronic
structures and chemical bonding have been evaluated from first principles
calculations. They show that all compounds can be viewed as electron-rich,
polar intermetallics.