Skip to main content
. 2014 Jun 23;70(Pt 7):14–17. doi: 10.1107/S1600536814009520

Table 3. Experimental details.

Crystal data
Chemical formula Pb3[IO4(OH)2]2
M r 1071.40
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 8.9653 (9), 9.2113 (9), 12.8052 (13)
β (°) 101.042 (2)
V3) 1037.90 (18)
Z 4
Radiation type Mo Kα
μ (mm−1) 54.55
Crystal size (mm) 0.06 × 0.06 × 0.05
 
Data collection
Diffractometer Siemens SMART CCD
Absorption correction Multi-scan (TWINABS; Bruker, 2008)
T min, T max 0.253, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 3196, 3196, 2587
(sin θ/λ)max−1) 0.716
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.087, 1.07
No. of reflections 3196
No. of parameters 94
H-atom treatment H-atom parameters not refined
   
Δρmax, Δρmin (e Å−3) 2.88, −1.95

Computer programs: SMART (Bruker, 2008), SAINT-Plus (Bruker, 2008), SHELXS97 and SHELXL97 (Sheldrick, 2008), ATOMS for Windows (Dowty, 2006) and publCIF (Westrip, 2010).