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Superstructure, crystal chemistry, and cation distribution in filipstadite, a Sb5+-bearing, spinel-related mineral
-
Paola Bonazzi
,
Laura Chelazzi
Published/Copyright:
March 7, 2015
Abstract
The crystal structure of the rare, spinel-related Sb mineral filipstadite from Långban, Filipstad district, Värmland, Sweden, has been solved and refined in the space group Fd3̄m [a = 25.9300(6) Å, V = 17434.4(5) Å3, and Z = 216] and refined to R = 4.41% for 681 Fo > 4σ(Fo) using MoKα X-ray data. The structure of filipstadite is topologically identical to the spinel-type structure with cations occupying 1/8 of the tetrahedral (T) and 1/2 of the octahedral (M) interstices of a cubic close-packing of oxygen atoms. Due to the cation ordering, which leads to the tripling of the unit-cell edge, the M and T sites of the spinel-type structure split into six and five independent sites, respectively. Chemical composition was determined by electron microprobe. The fractions of major cations obtained from chemical analysis were distributed between T and M sites taking into account the weighted electron number at both T and M sites, and minimizing the discrepancy between the calculated and the observed overall <M-O> distance. Cations present in minor amounts were assigned on the basis of their known site preference. The obtained populations (2M = Mn2+ 0.56Mg0.76Fe3+0.16Al0.02Sb5+ 0.50; T = Mn2+ 0.60Mg0.07Fe3+0.30 Zn0.02Si4+ 0.01) were then tentatively distributed among the individual M and T sites on the basis of crystal chemical considerations.
Keywords : Filipstadite; spinel; crystal structure determination; superstructure; cation distribution; Långban (Sweden)
Received: 2012-6-6
Accepted: 2012-9-23
Published Online: 2015-3-7
Published in Print: 2013-2-1
© 2015 by Walter de Gruyter Berlin/Boston
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Keywords for this article
Filipstadite;
spinel;
crystal structure determination;
superstructure;
cation distribution;
Långban (Sweden)
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