Orthorhombic β-LiScGe
2
O
6
single crystals were compressed hydrostatically up
to 10.35 GPa using a diamond anvil cell and investigated in situ by
means of X-ray diffraction and Raman spectroscopy. Crystal-structure
investigations at ambient conditions and at high pressure show a structural
transition from an orthopyroxene-type
Pbca
structure
(
a
≈ 18.43 Å,
b
≈
8.85 Å, and
c
≈ 5.34 Å at 8.6 ±
0.1 GPa) to a postorthopyroxene type
P
2
1
/
c
structure of the new dense γ-LiScGe
2
O
6
(
a
≈ 18.62 Å,
b
≈ 8.85
Å,
c
≈ 5.20 Å, and
β
≈ 93.1° at 9.5 ± 0.1 GPa). The structure refinements
reveal displacive shifts of O atoms associated with a rotation of
every other tetrahedral-chain unit from the O- to S-type position
similar to the postorthopyroxene-type MgSiO
3
. As a consequence
of the oxygen displacement, the coordination number of Li atoms is
changing from [5 + 1] to a proper 6-fold coordination. The transition
around
P
c
= 9.0 ± 0.1 GPa is associated
with a volume discontinuity of Δ
V
= −1.6%.
This orthopyroxene (OEn-
Pbca
) to postorthopyroxene
(pOEn-
P
2
1
/
c
) transition
is the second example of this type of transformation. Precise lattice
parameters have been determined during isothermal compression. The
fit of the unit-cell volumes of
β
-LiScGe
2
O
6
, using a third-order Birch–Murnaghan
equation of state, yields
V
0
= 943.63
± 0.11 Å
3
,
K
0
= 89.8
± 0.6 GPa, and d
K
/d
P
= 4.75
± 0.18 as parameters. Evaluation of the data points beyond the
critical transition pressure using a second-order Birch–Murnaghan
equation suggests
V
0
= 940.6 ± 4.4
Å
3
and
K
0
= 82.4 ±
4.8 GPa. A series of high-pressure Raman spectra confirm the symmetry-related
structural transition, with band positions shifting in a noncontinuous
manner, thus confirming the proposed first-order transition.