The crystal structure of turneaureite, Ca5(AsO4)3Cl, the arsenate analog of chlorapatite, and its relationships with the arsenate apatites johnbaumite and svabite
Abstract
The crystal structure of turneaureite, ideally Ca5(AsO4)3Cl, was studied using a specimen from the Brattfors mine, Nordmark, Värmland, Sweden, by means of single-crystal X-ray diffraction data. The structure was refined to R1 = 0.017 on the basis of 716 unique reflections with Fo > 4σ(Fo) in the P63/m space group, with unit-cell parameters a = 9.9218(3), c = 6.8638(2) Å, V = 585.16(4) Å3. The chemical composition of the sample, determined by electron-microprobe analysis, is (in wt%; average of 10 spot analyses): SO3 0.22, P2O5 0.20, V2O5 0.01, As2O5 51.76, SiO2 0.06, CaO 41.39, MnO 1.89, SrO 0.12, BaO 0.52, PbO 0.10, Na2O 0.02, F 0.32, Cl 2.56, H2Ocalc 0.58, O(=F+Cl) −0.71, total 99.04. On the basis of 13 anions per formula unit, the empirical formula corresponds to (Ca4.82Mn0.17Ba0.02Sr0.01)Σ5.02(As2.94P0.02S0.02Si0.01)Σ2.99O12[Cl0.47(OH)0.42F0.11]Σ1.00.
Turneaureite is topologically similar to the other members of the apatite supergroup: columns of face-sharing M1 polyhedra running along c are connected through TO4 tetrahedra with channels hosting M2 cations and X anions. Owing to its particular chemical composition, the studied turneaureite can be considered as a ternary calcium arsenate apatite; consequently it has several partially filled anion sites within the anion columns. Polarized single-crystal FTIR spectra of the studied sample indicate stronger hydrogen bonding and less diverse short-range atom arrangements around (OH) groups in turneaureite as compared to the related minerals johnbaumite and svabite. An accurate knowledge of the atomic arrangement of this apatite-remediation mineral represents an improvement in our understanding of minerals able to sequester and stabilize heavy metals such as arsenic in polluted areas.
Special collection papers can be found online at http://www.minsocam.org/MSA/AmMin/special-collections.html.
Acknowledgments
We thank Marcello Serracino who assisted us during electron-microprobe analysis. M.P. acknowledges the financial support from the University of Pisa (PRA_2015_0028). Fernando Cámara, Anthony R. Kampf, and an anonymous reviewer helped us improving the paper.
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Articles in the same Issue
- Highlights and Breakthroughs
- Making a fine-scale ruler for oxide inclusions
- Special Collection: Biomaterials—Mineralogy Meets Medicine
- Substitution of sulfate in apatite
- Actinides in Geology, Energy, and the Environment
- Thermodynamic characterization of synthetic autunite
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- The crystal structure of turneaureite, Ca5(AsO4)3Cl, the arsenate analog of chlorapatite, and its relationships with the arsenate apatites johnbaumite and svabite
- Special Collection: From Magmas to Ore Deposits
- Cu-Mo partitioning between felsic melts and saline-aqueous fluids as a function of XNaCleq, fO2, and fS2
- Special Collection: Dynamics of Magmatic Processes
- Continuous mush disaggregation during the long-lasting Laki fissure eruption, Iceland
- A new hydrothermal moissanite cell apparatus for optical in-situ observations at high pressure and high temperature, with applications to bubble nucleation in silicate melts
- Experimental and thermodynamic investigations on the stability of Mg14Si5O24 anhydrous phase B with relevance to Mg2SiO4 forsterite, wadsleyite, and ringwoodite
- Model for the origin, ascent, and eruption of lunar picritic magmas
- Phase relations of Fe-Mg spinels including new high-pressure post-spinel phases and implications for natural samples
- A Raman calibration for the quantification of SO42− groups dissolved in silicate glasses: Application to natural melt inclusions
- The system fayalite-albite-anorthite and the syenite problem
- Kiglapait mineralogy V: Feldspars in a hot, dry magma
- Orientation of exsolution lamellae in mantle xenolith pyroxenes and implications for calculating exsolution pressures
- Spin state and electronic environment of iron in basaltic glass in the lower mantle
- A shallow origin of so-called ultrahigh-pressure chromitites, based on single-crystal X-ray structure analysis of the high-pressure Mg2Cr2O5 phase, with modified ludwigite-type structure
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