Hydrogen bonding in goldichite, KFe(SO₄)₂•4H₂O

Author(s)

Zhuming Yang, Gerald Giester

Abstract

The crystal structure of goldichite KFe(SO4)2⋅4H2O was determined on a single crystal from the Baiyinchang copper deposit, Gansu, China. [P121/c1, a = 10.395(2), b = 10.475(2), c = 9.0875(18) Å, β = 101.65(3)°, V = 969.1(3) Å3, Z = 4]. All non-H atoms were refined with anisotropic displacement parameters and positions of H-atoms were determined by difference Fourier methods and refined from X-ray diffraction data. The crystal structure of goldichite consists of corrugated sheets parallel to the (100) plane by sharing corners between FeO6 octahedra and SO4 tetrahedra. The interstitial potassium atom exhibits a [KO7(H2O)2] nine-fold coordination, which shares edges to form a column parallel to the c-axis and to build a slab with the corrugated sheet. These slabs are linked in the [100] direction through a network of hydrogen bonds. Three types of hydrogen bonds involve links of slabs: Ow(3)-H(3B)···O(1), Ow(6)-H(6B)···O(11) and Ow(9)-H(9B)···O(11). The FTIR spectrum of goldichite shows a strong absorption between ~3384 cm−1 and ~3592 cm−1, which is in accordance with the O-H···O distances derived from structure data.

Organisation(s)

Department of Mineralogy and Crystallography

External organisation(s)

Chinese Academy of Sciences (CAS)

Journal

Mineralogy and Petrology

Volume

112

Pages

135-142

No. of pages

8

ISSN

0930-0708

DOI

https://doi.org/10.1007/s00710-017-0524-0

Publication date

06-2017

Peer reviewed

Yes

Austrian Fields of Science 2012

105116 Mineralogy, 105113 Crystallography

Keywords

ASJC Scopus subject areas

Geochemistry and Petrology, Geophysics

Portal url

https://ucrisportal.univie.ac.at/en/publications/cdc1bf8e-11f3-4877-890e-584728c4a81c