Skip to main content
. 2018 Jun 28;74(Pt 7):863–869. doi: 10.1107/S2053229618009087

Table 1. Experimental details.

  Rh6Mn5Bi18 RhMnBi3
Crystal data
Chemical formula Rh6Mn5Bi18 RhMnBi3
M r 4653.80 784.79
Crystal system, space group Tetragonal, P42/m n m Orthorhombic, C m m m
Temperature (K) 293 293
a, b, c (Å) 18.526 (3), 18.526 (3), 4.1722 (11) 8.885 (3), 13.696 (6), 4.1310 (12)
α, β, γ (°) 90, 90, 90 90, 90, 90
V3) 1432.0 (6) 502.7 (3)
Z 2 4
Radiation type Mo Kα Mo Kα
μ (mm−1) 115.57 110.13
Crystal size (mm) 0.16 × 0.03 × 0.02 0.10 × 0.05 × 0.03
 
Data collection
Diffractometer Nonius KappaCCD Nonius KappaCCD
Absorption correction Multi-scan (SCALEPACK; Otwinowski & Minor, 1997) Multi-scan (SCALEPACK; Otwinowski & Minor, 1997)
T min, T max 0.009, 0.011 0.003, 0.005
No. of measured, independent and observed [I > 2σ(I)] reflections 21380, 1784, 1297 3699, 667, 522
R int 0.169 0.141
(sin θ/λ)max−1) 0.803 0.806
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.088, 1.05 0.094, 0.257, 1.19
No. of reflections 1784 667
No. of parameters 50 21
Δρmax, Δρmin (e Å−3) 4.24, −3.66 11.68, −8.87

Computer programs: COLLECT (Hooft, 1999), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and CrystalMaker (CrystalMaker, 2009).