Abstract
The crystal structure of svabite, ideally Ca5(AsO4)3F, was studied using a specimen from the Jakobsberg mine, Värmland, Sweden, by means of single-crystal X-ray diffraction data. The structure was refined to R1 = 0.032 on the basis of 928 unique reflections with Fo > 4σ(Fo) in the P63/m space group, with unit-cell parameters a = 9.7268(5), c = 6.9820(4) Å, V = 572.07(5) Å3. The chemical composition of the sample, determined by electron-microprobe analysis, is (in wt%, average of 10 spot analyses): SO3 0.49, P2O5 0.21, V2O5 0.04, As2O5 51.21, SiO2 0.19, CaO 39.31, MnO 0.48, SrO 0.03, PbO 5.19, Na2O 0.13, F 2.12, Cl 0.08, H2Ocalc 0.33, O (≡ F+Cl) –0.91, total 98.90. On the basis of 13 anions per formula unit, the empirical formula corresponds to (Ca4.66Pb0.16Mn0.04Na0.03)Σ4.89(As2.96S0.04Si0.02P0.02)Σ3.04O12 [F0.74(OH)0.24Cl0.01]. Svabite 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. The crystal structure of synthetic Ca5(AsO4)3F was previously reported as triclinic. On the contrary, the present refinement of the crystal structure of svabite shows no deviations from the hexagonal symmetry. 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 M. Serracino who assisted us during electron-microprobe analysis. MP acknowledges financial support from the University of Pisa (PRA_2015_0028). J. Hughes and J. Rakovan acted as reviewers, helping us in improving the manuscript.
References cited
Baikie, T., Mercier, P.H.J., Elcombe, M.M., Kim, J.Y., Le Page, Y., Mitchell, L.D., and White, Y.J. (2007) Triclinic apatites. Acta Crystallographica, B63, 251–256.10.1107/S0108768106053316Suche in Google Scholar PubMed
Bauer, L.H., and Berman, H. (1930) Note on some Franklin minerals. American Mineralogist, 15, 340–348.Suche in Google Scholar
Biagioni, C., and Pasero, M. (2013) The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite. American Mineralogist, 98, 1580–1584.10.2138/am.2013.4443Suche in Google Scholar
Brese, N.E., and O’Keeffe, M. (1991) Bond-valence parameters for anion-anion bonds in solids. Acta Crystallographica, B48, 152–154.Suche in Google Scholar
Bruker AXS Inc. (2004) APEX 2. Bruker Advanced X-ray Solutions, Madison, Wisconsin, U.S.A.Suche in Google Scholar
Charlet, L., and Polya, D.A. (2006) Arsenic in shallow, reducing groundwaters in Southern Asia: An environmental health disaster. Elements, 2, 91–96.10.2113/gselements.2.2.91Suche in Google Scholar
Dai, Y.S., and Harlow, G.E. (1991) Structural relationships of arsenate apatites with their anion-devoid intermetallic phase Ca5As3. Geological Society of America Annual Meeting, Program and Abstracts, 23, A219.Suche in Google Scholar
Gaines, R.V., Skinner, H.C.W., Foord, E.E. Mason, B., and Rosenzweig, A. (1997) Dana’s New Mineralogy, 1819 p. Wiley, New York.Suche in Google Scholar
Hamilton, W.C. (1964) Statistics in Physical Science. Estimation, hypothesis testing, and least squares, 230 p. The Ronald Press Company, New York.Suche in Google Scholar
Hamilton, W.C. (1965) Significance tests on the crystallographic R factor. Acta Crystallographica, 18, 502–510.10.1107/S0365110X65001081Suche in Google Scholar
Henderson, C.M.B., Bell, A.M.T., Charnock, J.M., Knight, K.S., Wendlandt, R.F., Plant, D.A., and Harrison, W.J. (2009) Synchrotron X-ray absorption spectroscopy and X-ray powder diffraction studies of the structure of johnbaumite [Ca10(AsO4)6(OH, F)2] and synthetic Pb-, Sr- and Ba-arsenate apatites and some comments on the crystal chemistry of the apatite structure type in general. Mineralogical Magazine, 73, 433–455.10.1180/minmag.2009.073.3.433Suche in Google Scholar
Hughes, J.M., Cameron, M., and Crowley, K.D. (1989) Structural variation in natural F, OH, and Cl apatites. American Mineralogist, 74, 870–876.Suche in Google Scholar
Hughes, J.M., Nekvasil, H., Ustunisik, G., Lindsley, D.H., Coraor, A.E., Vaughn, J., Phillips, B.L., McCubbin, F.M., and Woerner, W.R. (2014) Solid solution in the fluorapatite-chlorapatite binary system: High precision crystal structure refinements of synthetic F-Cl apatite. American Mineralogist, 99, 369–376.10.2138/am.2014.4644Suche in Google Scholar
Krivovichev, S.V. (2012) Derivation of bond-valence parameters for some cation-oxygen pairs on the basis of empirical relationships between r0 and b. Zeitschrift für Kristallographie, 227, 575–579.10.1524/zkri.2012.1469Suche in Google Scholar
Lee, Y. J., Stephens, P.W., Tang, Y., Li, W., Phillips, B.L., Parise, J.B., and Reeder, R.J. (2009) Arsenate substitution in hydroxylapatite: structural characterization of the Ca5(PxAs1–xO4)3OH solid solution. American Mineralogist, 94, 666–675.10.2138/am.2009.3120Suche in Google Scholar
Lim, S.C., Baikie, T., Pramana, S.S., Smith, R., and White, T.J. (2011) Apatite metaprism twist angle (φ) as a tool for crystallochemical diagnosis. Journal of Solid State Chemistry, 184, 2978–2986.10.1016/j.jssc.2011.08.031Suche in Google Scholar
Libowitzky, E. (1999) Correlation of O-H stretching frequencies and O-H···O hydrogen bond lengths in minerals. Monatshefte für Chemie, 130, 1047–1059.10.1007/978-3-7091-6419-8_7Suche in Google Scholar
Malinko, S.V., Rumyantsev, G.S., and Sidorenko, G.A. (1966) Svabite from contact-metasomatic deposits of Siberia and the Urals. Doklady Akademii Nauk SSSR, 166, 134–137.Suche in Google Scholar
Palache, C., Berman, H., and Frondel, C. (1951) The System of Mineralogy. Volume II, 7th ed., 1124 pp., Wiley, New York.Suche in Google Scholar
Pasero, M., Kampf, A.R., Ferraris, C., Pekov, I.V., Rakovan, J., and White, T.J. (2010) Nomenclautre of the apatite supergroup minerals. European Journal of Mineralogy, 22, 163–179.10.1127/0935-1221/2010/0022-2022Suche in Google Scholar
Pouchou, J.L., and Pichoir, F. (1991) Quantitative analysis of homogeneous or stratified microvolumes applying the model “PAP”. In K.F.J. Heinrich and D.E. Newbury, Eds., Electron Probe Quantitation, p. 31–75, Plenum Press, New York.10.1007/978-1-4899-2617-3_4Suche in Google Scholar
Rakovan, J.F., and Pasteris, G.D. (2015) A technological gem: Materials, medical, and environmental mineralogy of apatite. Elements, 11, 195–200.10.2113/gselements.11.3.195Suche in Google Scholar
Sheldrick, G.M. (2008) A short history of SHELX. Acta Crystallographica, A64, 112–122.10.1107/S0108767307043930Suche in Google Scholar PubMed
Sjögren, H. (1891) Svabit, ett mineral af apatitgruppen från Harstigsgrufvan. Geologiska Föreningen i Stockholm Förhandlingar, 13, 789–796.Suche in Google Scholar
Sjögren, H. (1892) Contributions to Swedish mineralogy. Part I: 7. Svabite a new member of the apatite group. Bulletin of the Geological Institution of the University of Upsala, 1, 50–56.Suche in Google Scholar
Wang, K.L., Zhang, Y., and Naab, F.U. (2011) Calibration for IR measurements of OH in apatite. American Mineralogist, 96, 1392–1397.10.2138/am.2011.3756Suche in Google Scholar
Wardojo, T.A., and Hwu, S.J. (1996) Chlorapatite: Ca5(AsO4)3Cl. Acta Crystallo-graphica, C52, 2959–2960.10.1107/S0108270196011006Suche in Google Scholar
Welin, E. (1968) X-ray powder data for minerals from Långban and the related mineral deposits of Central Sweden. Arkiv för Mineralogi och Geologi, 4, 499–541.Suche in Google Scholar
White, T.J., and Dong, Z. (2003) Structural derivation and crystal chemistry of apatites. Acta Crystallographica, B59, 1–16.10.1107/S0108768102019894Suche in Google Scholar PubMed
White, T., Ferraris, C., Kim, J., and Madhavi, S. (2005) Apatite—An adaptive framework structure. Reviews in Mineralogy and Geochemistry, 57, 307–401.10.2138/rmg.2005.57.10Suche in Google Scholar
Wilson, A.J.C. (1992) International Tables for Crystallography Volume C. Kluwer, Dordrecht.Suche in Google Scholar
© 2016 by Walter de Gruyter Berlin/Boston
Artikel in diesem Heft
- Highlights and Breakthroughs
- A new approach to the ionic model
- Highlights and Breakthroughs
- Na-P concentrations in high-pressure garnets: A potentially rich, but risky P-T repository
- Special Collection: Perspectives on Origins and Evolution of Crustal Magmas
- Crystal accumulation in a tilted arc batholith
- Research Article
- A tale of two garnets: The role of solid solution in the development toward a modern mineralogy
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- The crystal structure of svabite, Ca5(AsO4)3F, an arsenate member of the apatite supergroup
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- From phosphates to silicates and back: an experimental study on the transport and storage of phosphorus in eclogites during uplift and exhumation
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- Fluorapatite-monazite-allanite relations in the Grängesberg apatite-iron oxide ore district, Bergslagen, Sweden
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- Solid solution in the apatite OH-Cl binary system: Compositional dependence of solid-solution mechanisms in calcium phosphate apatites along the Cl-OH binary
- Special Collection: Advances in Ultrahigh-Pressure Metamorphism
- Dissolution-reprecipitation metasomatism and growth of zircon within phosphatic garnet in metapelites from western Massachusetts
- Special Collection: New Advances In Subduction Zone Magma Genesis
- Origin and petrogenetic implications of anomalous olivine from a Cascade forearc basalt
- Versatile Monazite: Resolving Geological Records and Solving Challenges in Materials Science
- Monazite age constraints on the tectono-thermal evolution of the central Appalachian Piedmont
- Research Article
- A new EPMA method for fast trace element analysis in simple matrices
- Research Article
- Location and stability of europium in calcium sulfate and its relevance to rare earth recovery from phosphogypsum waste
- Research Article
- A preliminary valence-multipole potential energy model: Al-Si-H-O system
- Research Article
- Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study
- Research Article
- Redox states of uranium in samples of microlite and monazite
- Research Article
- Effects of differential stress on the structure and Raman spectra of calcite from first-principles calculations
- Research Article
- Oxygen diffusion and exchange in dolomite rock at 700 °C, 100 MPa
- Research Article
- Fluid inclusion examination of the transition from magmatic to hydrothermal conditions in pegmatites from San Diego County, California
- Letter
- Nanoscale gold clusters in arsenopyrite controlled by growth rate not concentration: Evidence from atom probe microscopy
- New Mineral Names
- New Mineral Names
Artikel in diesem Heft
- Highlights and Breakthroughs
- A new approach to the ionic model
- Highlights and Breakthroughs
- Na-P concentrations in high-pressure garnets: A potentially rich, but risky P-T repository
- Special Collection: Perspectives on Origins and Evolution of Crustal Magmas
- Crystal accumulation in a tilted arc batholith
- Research Article
- A tale of two garnets: The role of solid solution in the development toward a modern mineralogy
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- The crystal structure of svabite, Ca5(AsO4)3F, an arsenate member of the apatite supergroup
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- From phosphates to silicates and back: an experimental study on the transport and storage of phosphorus in eclogites during uplift and exhumation
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- Fluorapatite-monazite-allanite relations in the Grängesberg apatite-iron oxide ore district, Bergslagen, Sweden
- Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
- Solid solution in the apatite OH-Cl binary system: Compositional dependence of solid-solution mechanisms in calcium phosphate apatites along the Cl-OH binary
- Special Collection: Advances in Ultrahigh-Pressure Metamorphism
- Dissolution-reprecipitation metasomatism and growth of zircon within phosphatic garnet in metapelites from western Massachusetts
- Special Collection: New Advances In Subduction Zone Magma Genesis
- Origin and petrogenetic implications of anomalous olivine from a Cascade forearc basalt
- Versatile Monazite: Resolving Geological Records and Solving Challenges in Materials Science
- Monazite age constraints on the tectono-thermal evolution of the central Appalachian Piedmont
- Research Article
- A new EPMA method for fast trace element analysis in simple matrices
- Research Article
- Location and stability of europium in calcium sulfate and its relevance to rare earth recovery from phosphogypsum waste
- Research Article
- A preliminary valence-multipole potential energy model: Al-Si-H-O system
- Research Article
- Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study
- Research Article
- Redox states of uranium in samples of microlite and monazite
- Research Article
- Effects of differential stress on the structure and Raman spectra of calcite from first-principles calculations
- Research Article
- Oxygen diffusion and exchange in dolomite rock at 700 °C, 100 MPa
- Research Article
- Fluid inclusion examination of the transition from magmatic to hydrothermal conditions in pegmatites from San Diego County, California
- Letter
- Nanoscale gold clusters in arsenopyrite controlled by growth rate not concentration: Evidence from atom probe microscopy
- New Mineral Names
- New Mineral Names