BibTex format

author = {Najorka, J and Lewis, JMT and Spratt, J and Sephton, MA},
doi = {10.1007/s00269-016-0802-0},
journal = {Physics and Chemistry of Minerals},
pages = {377--386},
title = {Single-crystal X-ray diffraction study of synthetic sodium-hydronium jarosite},
url = {},
volume = {43},
year = {2016}

RIS format (EndNote, RefMan)

AB - Na–H3O jarosite was synthesized hydrothermally at 413 K for 8 days and investigated using single-crystal X-ray diffraction (XRD) and electron microprobe analysis (EMPA). The chemical composition of the studied crystal is [Na0.57(3) (H3O)0.36 (H2O)0.07]A Fe2.93(3) (SO4)2 (OH)5.70 (H2O)0.30, and Fe deficiency was confirmed by both EMPA and XRD analysis. The single-crystal XRD data were collected at 298 and 102 K, and crystal structures were refined in space group R3¯¯¯mR3¯m . The room-temperature data match structural trends of the jarosite group, which vary linearly with the c axis. The low-temperature structure at 102 K shows an anisotropic decrease in the unit cell parameters, with c and a decreasing by 0.45 and 0.03 %, respectively. Structural changes are mainly confined to the A site environment. Only minor changes occur in FeO6 and SO4 polyhedra. The structure responds upon cooling by increasing bond length distortion and by decreasing quadratic elongation of the large AO12 polyhedra. The structural parameters at low temperature follow very similar patterns to structural changes that correspond to compositional variation in the jarosite group, which is characterised by the flexibility of AO12 polyhedra and rigidity of Fe(OH)4O2–SO4 layers. The most flexible areas in the jarosite structure are localized at AO12 edges that are not shared with neighbouring FeO6 octahedra. Importantly, for the application of XRD in planetary settings, the temperature-related changes in jarosite can mimic compositional change.
AU - Najorka,J
AU - Lewis,JMT
AU - Spratt,J
AU - Sephton,MA
DO - 10.1007/s00269-016-0802-0
EP - 386
PY - 2016///
SN - 1432-2021
SP - 377
TI - Single-crystal X-ray diffraction study of synthetic sodium-hydronium jarosite
T2 - Physics and Chemistry of Minerals
UR -
UR -
VL - 43
ER -