Skip to main content
. 2020 Oct 6;76(Pt 11):1708–1711. doi: 10.1107/S2056989020013158

Table 1. Experimental details.

Crystal data
Chemical formula Ba0.9Ce0.1LuAl0.2Si3.8N6.9O0.1
M r 1045.99
Crystal system, space group Hexagonal, P63 m c
Temperature (K) 301
a, c (Å) 6.0378 (5), 9.8133 (9)
V3) 309.82 (6)
Z 1
Radiation type Mo Kα
μ (mm−1) 22.95
Crystal size (μm) 0.13 × 0.07 × 0.02
 
Data collection
Diffractometer Bruker D8 QUEST
Absorption correction Multi-scan (SADABS; Bruker, 2018)
T min, T max 0.37, 0.68
No. of measured, independent and observed [I > 2σ(I)] reflections 2818, 395, 381
R int 0.059
(sin θ/λ)max−1) 0.713
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.022, 0.055, 1.04
No. of reflections 395
No. of parameters 33
No. of restraints 1
Δρmax, Δρmin (e Å−3) 1.70, −1.40
Absolute structure Refined as an inversion twin
Absolute structure parameter 0.10 (3)

Computer programs: Instrument Service (Bruker, 2018), APEX3 (Bruker, 2018), SAINT (Bruker, 2018), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ), VESTA (Momma & Izumi, 2011), pubCIF (Westrip, 2010).