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Crystal chemistry of natural layered double hydroxides. 5. single-crystal structure refinement of hydrotalcite, [Mg6Al2(OH)16](CO3)(H2O)4.

Zhitova, E.S. and Krivovichev, S.V. and Pekov, I.V. and Greenwell, H.C. (2019) 'Crystal chemistry of natural layered double hydroxides. 5. single-crystal structure refinement of hydrotalcite, [Mg6Al2(OH)16](CO3)(H2O)4.', Mineralogical magazine., 83 (2). pp. 269-280.

Abstract

Hydrotalcite, ideally [Mg6Al2(OH)16](CO3)(H2O)4, was studied in samples from Dypingdal, Snarum, Norway (3R and 2H), Zelentsovskaya pit (2H) and Praskovie–Evgenievskaya pit (2H) (both Southern Urals, Russia), Talnakh, Siberia, Russia (3R), Khibiny, Kola, Russia (3R), and St. Lawrence, New York, USA (3R and 2H). Two polytypes, 3R and 2H (both ‘classical’), were confirmed on the basis of single-crystal and powder X-ray diffraction data. Their chemical composition was studied by electron-microprobe analysis, infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. The crystal structure of hydrotalcite-3R was solved by direct methods in the space group R3m on three crystals (two data collections at 290 K and one at 120 K). The unit-cell parameters are as follows (290/290/120 K): a = 3.0728(9)/3.0626(3)/3.0617(4), c = 23.326(9)/23.313(3)/23.203(3) Å and V = 190.7(1)/189.37(4)/188.36(4) Å3 . The crystal structures were refined on the basis of 304/150/101 reflections to R1 = 0.075/0.041/ 0.038. Hydrotalcite-2H crystallises in the P63/mmc space group; unit-cell parameters for two crystals are (data collection at 290 K and 93 K): a = 3.046(1)/3.0521(9), c = 15.447(6)/15.439(4) Å, V = 124.39(8)/124.55(8) Å3 . The crystal structures were refined on the basis of 160/142 reflections to R1 = 0.077/0.059. This paper reports the first single-crystal structure data on hydrotalcite. Hydrotalcite distribution in Nature, diagnostic features, polytypism, interlayer topology and localisation of M2+–M3+ cations within metal hydroxide layers are discussed.

Item Type:Article
Full text:(AM) Accepted Manuscript
Available under License - Creative Commons Attribution Non-commercial No Derivatives.
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1180/mgm.2018.145
Publisher statement:This article has been published in a revised form in Mineralogical magazine, http://doi.org/10.1180/mgm.2018.145. This version is published under a Creative Commons CC-BY-NC-ND. No commercial re-distribution or re-use allowed. Derivative works cannot be distributed. © Mineralogical Society of Great Britain and Ireland 2018.
Date accepted:03 July 2018
Date deposited:11 June 2019
Date of first online publication:25 July 2018
Date first made open access:11 June 2019

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