Table 2. Experimental details.
Crystal data | |
Chemical formula | Pb2Mn(VO4)2(OH) |
M r | 716.21 |
Crystal system, space group | Monoclinic, P21/m |
Temperature (K) | 293 |
a, b, c (Å) | 7.6492 (1), 6.1262 (1), 8.9241 (2) |
β (°) | 112.195 (1) |
V (Å3) | 387.20 (1) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 47.27 |
Crystal size (mm) | 0.05 × 0.05 × 0.05 |
Data collection | |
Diffractometer | Bruker APEXII CCD area detector |
Absorption correction | Multi-scan (SADABS; Bruker, 2004 ▸) |
T min, T max | 0.201, 0.201 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 11674, 1521, 1356 |
R int | 0.037 |
(sin θ/λ)max (Å−1) | 0.759 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.025, 0.056, 1.05 |
No. of reflections | 1521 |
No. of parameters | 82 |
No. of restraints | 1 |
H-atom treatment | Only H-atom coordinates refined |
Δρmax, Δρmin (e Å−3) | 2.67, −2.16 |