Structure refinement and hydrogen bonding of ferrinatrite, Na₃Fe(SO₄)₃⋅3H₂O

Author(s)

Zhuming Yang, Gerald Giester

Abstract

The structure of trigonal ferrinatrite, Na3Fe(SO4)3·3H2O, from the Hongshan Cu-Au deposit, Eastern Tianshan, NW China was refined in space group P3[n.773] based on single crystal X-ray diffraction data [a = 15 .553(2), c = 8.6616(17 ) Å, V = 1814.4(5) Å3, Z = 6; R1 = 0.0535]. All hydrogen atoms were located by difference Fourier methods and refined with soft restrictions for distances, but with fixed thermal isotropic displacement parameters. The at. arrangement in ferrinatrite is based on chains along [001] consisting of isolated FeO6-octahedra corner-linked with sulfate groups. All vertices of octahedra link to tetrahedra, and half the tetrahedron vertices link to octahedra. These chains are linked by interstitial Na-ions and H2O groups. All Na atoms are coordinated to four oxygen atoms of sulfate groups and to two oxygen atoms of H2O mols. within 2.33-2.71 Å; next oxygens are at distances of 2.85-3.00 Å. Among six hydrogen bonds, three acceptor O-atoms of sulfate groups belong to the nearest octahedral-tetrahedral chains, and three acceptor sulfate O-atoms from the neighboring chains, which further strengthen the linkages between octahedral-tetrahedral chains. The O-H···O distances are in the range 2.86-3.13 Å. The O-H stretching frequencies derived from structural data are in good consistence with the known IR spectra.

Organisation(s)

Department of Mineralogy and Crystallography

External organisation(s)

Chinese Academy of Sciences (CAS)

Journal

Mineralogy and Petrology

Volume

113

Pages

555-562

No. of pages

8

ISSN

0930-0708

DOI

https://doi.org/10.1007/s00710-019-00662-2

Publication date

04-2019

Peer reviewed

Yes

Austrian Fields of Science 2012

105116 Mineralogy, 105113 Crystallography

Keywords

ASJC Scopus subject areas

Geochemistry and Petrology, Geophysics

Portal url

https://ucris.univie.ac.at/portal/en/publications/structure-refinement-and-hydrogen-bonding-of-ferrinatrite-na3feso433h2o(43eef464-a677-498b-9584-41582a77ba06).html