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. 2018 Aug 14;74(Pt 9):1244–1249. doi: 10.1107/S2056989018011180

Table 3. Experimental details.

  RbGa(HAsO4)2 RbGa2As(HAsO4)6
Crystal data
Chemical formula RbGa(HAsO4)2 RbGa2As(HAsO4)6
M r 435.05 1139.40
Crystal system, space group Trigonal, R Inline graphic c:H Trigonal, R Inline graphic c:H
Temperature (K) 293 293
a, c (Å) 8.385 (1), 53.880 (11) 8.491 (1), 50.697 (11)
V (Å3) 3280.7 (10) 3165.4 (10)
Z 18 6
Radiation type Mo Kα Mo Kα
μ (mm−1) 19.42 15.85
Crystal size (mm) 0.07 × 0.07 × 0.02 0.13 × 0.12 × 0.12
 
Data collection
Diffractometer Nonius KappaCCD single-crystal four-circle Nonius KappaCCD single-crystal four-circle
Absorption correction Multi-scan (SCALEPACK; Otwinowski et al., 2003 ▸) Multi-scan (SCALEPACK; Otwinowski et al., 2003 ▸)
T min, T max 0.343, 0.697 0.232, 0.252
No. of measured, independent and observed [I > 2σ(I)] reflections 3896, 1079, 1027 4684, 1287, 1196
R int 0.016 0.016
(sin θ/λ)max (Å−1) 0.704 0.757
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.016, 0.040, 1.11 0.014, 0.034, 1.13
No. of reflections 1079 1287
No. of parameters 68 65
No. of restraints 2 2
H-atom treatment All H-atom parameters refined All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.79, −0.53 0.75, −0.84

Computer programs: COLLECT (Nonius, 2003 ▸), DENZO and SCALEPACK (Otwinowski et al., 2003 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2016 (Sheldrick, 2015 ▸), DIAMOND (Brandenburg, 2005 ▸) and publCIF (Westrip, 2010 ▸).