Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6·3H2O
- Univ. of Arizona, Tucson, AZ (United States). Dept. of Geosciences; DOE/OSTI
- Univ. of Arizona, Tucson, AZ (United States). Dept. of Geosciences
The crystal structure of despujolsite [tricalcium manganese bis(sulfate) hexahydroxide trihydrate], the Ca/Mn member of the fleischerite group, ideally Ca3Mn4+(SO4)2(OH)6·3H2O, was previously determined based on X-ray diffraction intensity data from photographs, without H-atom positions located. The current study redetermines the structure of despujolsite from a natural specimen, with all H atoms located and with higher precision. The structure of despujolsite is characterized by layers of CaO8 polyhedra (m.. symmetry) interconnected by Mn(OH)6 octahedra (32. symmetry) and SO4 tetrahedra (3.. symmetry) along [001]. The average Ca—O, Mn—O and S—O bond lengths are 2.489, 1.915, and 1.472 Å, respectively. There are two distinct hydrogen bonds that stabilize the structural set-up. This work represents the first description of hydrogen bonds in the fleischerite group of minerals.
- Research Organization:
- Carnegie Inst. of Washington, Washington, DC (United States)
- Sponsoring Organization:
- Arizona Science Foundation; Tucson Gem and Mineral Society; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
- Grant/Contract Number:
- FC52-08NA28554
- OSTI ID:
- 1625755
- Journal Information:
- Acta Crystallographica. Section E, Journal Name: Acta Crystallographica. Section E Journal Issue: 9 Vol. 67; ISSN ACSEBH; ISSN 1600-5368
- Publisher:
- International Union of CrystallographyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
A short history of SHELX
|
journal | December 2007 |
On enantiomorph-polarity estimation
|
journal | November 1983 |
Bond-valence parameters for solids
|
journal | April 1991 |
Topology of the pyroxenes as a function of temperature, pressure, and composition as determined from the procrystal electron density
|
journal | April 2003 |
SHELXT – Integrated space-group and crystal-structure determination
|
journal | January 2015 |
Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O
|
journal | December 2019 |
Similar Records
Synthesis, crystal structure, infrared and Raman spectra of Sr{sub 4}Cu{sub 3}(AsO{sub 4}){sub 2}(AsO{sub 3}OH){sub 4}.3H{sub 2}O and Ba{sub 2}Cu{sub 4}(AsO{sub 4}){sub 2}(AsO{sub 3}OH){sub 3}
Ba{sub 2}In{sub 2}O{sub 4}(OH){sub 2}: Proton sites, disorder and vibrational properties