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) |
V (Å3) | 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 (Å−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 |