Rodalquilarite revisited: The hydrothermal synthesis and structural reinvestigation of H{sub 3}Fe{sub 2}(TeO{sub 3}){sub 4}Cl

Journal Article · Mon Mar 01 04:00:00 EST 1999 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1006/jssc.1998.8102· OSTI ID:338451

Feger, C R; Kolis, J W ^[1]; Gorny, K; Pennington, C ^[2]

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1. Clemson Univ., SC (United States). Dept. of Chemistry
2. Ohio state Univ., Columbus, OH (United States). Dept. of Physics

The known mineral rodalquilarite, H{sub 3}Fe{sub 2}(TeO{sub 3}){sub 4}Cl, was obtained as high quality single crystals via hydrothermal reactions. This material crystallizes in the triclinic space group P{bar 1}, with cell constants of a = 5.103(2) {angstrom}, b = 6.653(2) {angstrom}, c = 9.012(3) {angstrom}, {alpha} = 73.40(2){degree}, {beta} = 78.03(2), {gamma} = 76.76(2), V = 282.1(2) {angstrom}{sup 3} and was obtained from an NH{sub 4}Cl solution that was heated at 375 C for 4 days. A detailed structural characterization was performed (R = 0.039, R{sub w} = 0.050) and showed that this material is based on layers consisting of edge-sharing FeO{sub 6} octahedra which are interconnected by TeO{sub 3} pyramids which are completed by the presence of a terminal hydrogen atom. Additionally, a second set of TeO{sub 3} pyramids attached to the FeO{sub 6} octahedra are linked across the layers by a shared hydrogen atom. The layers are held together only through these O-H-O interactions and additional weak Te-Cl interactions. In this study, the authors compare this structure to a previous report of rodalquilarite and a reported triclinic form of Fe{sub 2}Te{sub 4}O{sub 11}, which may have been misidentified and is also the title compound. In addition, they have obtained the band gap of this material by diffuse reflectance spectroscopy and find it to be a wide band gap (E{sub g} = 2.51 eV) material. The DC magnetic susceptibility was also obtained and showed that the title compound is antiferromagnetic with a T{sub N} of 29 K.

• Sponsoring Organization: National Science Foundation, Washington, DC (United States); USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-90ER45427
• OSTI ID: 338451
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 143; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL STRUCTURE
EXPERIMENTAL DATA
HYDROGEN COMPOUNDS
IRON COMPOUNDS
LATTICE PARAMETERS
OXYCHLORIDES
SYNTHESIS
TELLURIUM COMPOUNDS
VALENCE
X-RAY DIFFRACTION