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A qualitative and quantitative investigation of partitioning and local structure of arsenate in barite lattice during coprecipitation of barium, sulfate, and arsenate

  • Xu Ma , Zidan Yuan , Mario A. Gomez , Xin Wang , Shaofeng Wang , Shuhua Yao and Yongfeng Jia EMAIL logo
Published/Copyright: November 30, 2017
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American Mineralogist
From the journal American Mineralogist Volume 102 Issue 12

Abstract

Arsenic (As), barium (Ba), and sulfate (SO42−), coexisting in natural and mining impacted environments, possibly lead to As-barite coprecipitation. This work investigated the coprecipitation of Ba2+, SO42−, and AsO43− [As(V)] and the incorporation of As(V) into the barite structure. The As(V) content in the coprecipitates increased with pH and the initial aqueous As(V) concentration. At pH ≤ 5, As(V) was dominantly fixed through isomorphic substitution for SO42− in the barite structure (<0.32 wt%). At pH > 5, barium (hydrogen) arsenate constituted an appreciable fraction of As(V)-bearing species in addition to the incorporated As(V). FTIR spectroscopy indicated that As(V) in the coprecipitate occurred as mixed phases and the As(V) species incorporated into the barite structure was dominated by HAsO42− species. EXAFS analysis gave As-O and As-OH bond lengths of 1.67 and 1.75 Å for HAsO42− in barite structure, respectively. The FPMS structural refinement reproduced well the As K-edge XANES spectrum and gave bond lengths of As-O at 1.63, 1.64, 1.68, and 1.75 Å with an average bond length of 1.68 ± 0.05 Å in HAsO42− doped barite structure. The findings are of significance for understanding the geochemical cycle of As in As(V), Ba2+, and SO42− coexisting systems.

Keywords: Arsenate; barite; coprecipitation; incorporation; local structure; XANES/EXAFS; FTIR; DFT calculation

Acknowledgments

The staff of the XAFS beamline at the Beijing Synchrotron Radiation Facility are appreciated for their help on the As K-edge XAS spectral measurements. This work was financially supported by the National Natural Science Foundation of China (No. 41530643), the Strategic Priority Research Program of the Chinese Academy of Sciences (No. XDB14020203) and the National Natural Science Foundation of China (Nos. 41473111, 41303088, and 41373127).

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Received: 2017-3-23
Accepted: 2017-8-24
Published Online: 2017-11-30
Published in Print: 2017-12-20

© 2017 Walter de Gruyter GmbH, Berlin/Boston

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https://doi.org/10.2138/am-2017-6148
Keywords for this article
Arsenate; barite; coprecipitation; incorporation; local structure; XANES/EXAFS; FTIR; DFT calculation

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  2. Multiple-reaction geobarometry for olivine-bearing igneous rocks
  3. Special Collection: Rates and Depths of Magma Ascent on Earth
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