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

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 havemore » 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.« less
Authors:
;  [1] ; ;  [2]
  1. Clemson Univ., SC (United States). Dept. of Chemistry
  2. Ohio state Univ., Columbus, OH (United States). Dept. of Physics
Publication Date:
OSTI Identifier:
338451
DOE Contract Number:
FG02-90ER45427
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 143; Journal Issue: 2; Other Information: PBD: Mar 1999
Sponsoring Org:
National Science Foundation, Washington, DC (United States);USDOE, Washington, DC (United States)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CRYSTAL STRUCTURE; SYNTHESIS; HYDROGEN COMPOUNDS; IRON COMPOUNDS; TELLURIUM COMPOUNDS; OXYCHLORIDES; X-RAY DIFFRACTION; LATTICE PARAMETERS; VALENCE; EXPERIMENTAL DATA