[en] Wollastonite-1A from Băița Bihor occurs in distal calcic skarns developed in the contact zone of a mainly granodioritic batholith, of Upper Cretaceous age, with Mesozoic limestones and dolostones. Wollastonite generally occurs in the inner part of metasomatic columns, in monomineralic skarns or associated with grossular and molybdenite-2H as ore mineral. The physical properties (i.e., refraction indices α = 1.616, β = 1.629, and γ = 1.631, 2Vα = 39° and density Dm = 2.922(3) g/cm 3) are typical for a term close to the stoichiometry, which is confirmed by the chemical analysis. The chemical structural formula of the analyzed wollastonite-1A is (Ca1.000Mg0.002Mn0.001Fe0.001)(Al0.004Ti0.001Si0.994)O3, which closely approximates the ideal CaSiO3. The Gladstone-Dale compatibility indices account for an excellent agreement between physical and chemical data. The mineral can be satisfactorily refined as triclinic, space group P̅ 1, with R1 = 0.0678 and cell parameters a = 7.9233(3) Å, b = 7.3203(3) Å, c = 7.0651(3) Å, α = 90.053(3)°, β = 95.208(3)°, γ = 103.384(3)°. Both the IR and Raman spectra principally reveal bands related to vibrations of bridged and non-bridged oxygens pertaining to SiO4 structural tetrahedra. At Băița Bihor, wollastonite-1A is part of the prograde paragenesis, marked by a peak temperature of 550-600 °C.
Disciplines :
Earth sciences & physical geography
Author, co-author :
Marincea, Stefan ; Université de Liège - ULiège > Département de géologie > Minéralogie et cristallochimie ; Department INI, Geological Institute of Romania, Bucharest, Romania
Dumitraş, Delia-Georgeta; Department INI, Geological Institute of Romania, Bucharest, Romania
Hatert, Frédéric ; Université de Liège - ULiège > Département de géologie > Minéralogie et cristallochimie
Sava Ghineț, Cristina; Department INI, Geological Institute of Romania, Bucharest, Romania
Dincă, George; Department INI, Geological Institute of Romania, Bucharest, Romania ; Research Center for Ecological Services (CESEC), University of Bucharest, Bucharest, Romania
Iancu, Aurora-Măruța; Department INI, Geological Institute of Romania, Bucharest, Romania
Depret, Martin ; Université de Liège - ULiège > Département de géologie > Minéralogie et cristallochimie
Language :
English
Title :
Crystal Structure vs. Vibrational Behavior of Wollastonite-1A from Băița Bihor, Bihor Mountains, Romania
Fleischer M. Mandarino J.A. Glossary of Mineral Species 7th ed. The Mineralogical Record Inc. Tucson, AZ, USA 1995 1 280
Deer W.A. Howie R.A. Zussman J. An Introduction to the Rock-Forming Minerals 2nd ed. Longman Harlow, UK 1992 1 696
Virta R.L. Van Gosen B.S. Industrial Minerals of the United States Wollastonite—A Versatile Industrial Mineral USGS Fact Sheet FS-002-01 USGS Publications Warehouse Reston, VA, USA 2001
Andrews R.W. Wollastonite Her Majesty’s Stationery Office London, UK 1970 1 114
Spencer C.H. Mémento Roches et Minéraux Industriels—Wollastonite BRGM Orléans, France 1991 1 32
Bauer R.R. Copeland J.R. Santini K. Wollastonite Industrial Minerals and Rocks 6th ed. Carr D.D. Society for Mining, Metallurgy, and Exploration, Inc. Littleton, CO, USA 1994 1119 1128
Azarov G.M. Maiorova E.V. Oborina M.A. Belyakov A.V. Wollastonite raw materials and their applications (a review) Steklo Keram. 1995 9 13 16 (In Russian) 10.1007/BF00681090
U.S.G.S. Mineral Commodity Summaries—Wollastonite US Geological Survey Reston, VA, USA 2023 194 195
von Zepharovich V.R. Mineralogisches Lexicon des Kaisertums Österreich Woilhelm Braumüller Wien, Austria 1873 Volume 2 1 451 Available online: https://www.lehmanns.de/shop/naturwissenschaften/52340706-9783750197633-mineralogisches-lexikon-fuer-das-kaisertum-oesterreich (accessed on 1 March 2026)
Loczka J. Mineral-Chemische Untersuchungen Z. Kristallogr. Miner. 1885 10 89 90
Udubaşa G. Ilinca G. Marincea Ş. Săbău G. Rădan S. Minerals in Romania: The state-of-the-art 1991 Rom. J. Miner. 1992 75 1 51
Andrii M.P. Tămaş G.C. Ore mineralogy and geochemistry relationships in Băița Bihor ore deposit, Apuseni Mountains, Romania—Blidar Contact case study Rom. J. Miner. Dep. 2018 91 49 53
Tămaş C.G. Andrii M.-P. Mineralogy of skarn ores from Băița Bihor, Northern Apuseni Mountains, Romania: A case study of Cu-, Bi- and Sn-minerals Minerals 2020 10 436 10.3390/min10050436
Brănoiu G.A. Cristescu T. The Rietveld structure refinement of the wollastonite-2M crystals from Băiţa Bihor deposit (Romania) using X-ray powder diffraction data Science and Technologies in Geology, Exploration and Mining. Conference Proceedings, Vol. 1, 13th International Multidisciplinary Scientific Geoconference SGEM, Albena, Bulgaria, 15–21 June 2013 Sofia STEF92 Technology Sofia, Bulgaria 2013 217 223
Berza T. Constantinescu E. Vlad Ş.N. Upper Cretaceous magmatic series and associated mineralization in the Carpatho-Balkan Orogen Res. Geol. 1998 48 291 306 10.1111/j.1751-3928.1998.tb00026.x
Gallhofer D. von Quadt A. Peytcheva I. Schmid S.M. Heinrich C.A. Tectonic, magmatic, and metallogenic evolution of the Late Cretaceous arc in the Carpathian-Balkan orogen Tectonics 2015 34 1813 1836 10.1002/2015TC003834
Cioflică G. Vlad Ş. The correlation of the Laramian metallogenetic events belonging to the Carpatho-Balkan area Rev. Roum. Géol. Géophys. Géogr. Sér. Géol. 1973 17 217 224
Ciobanu C.L. Cook N.J. Stein H. Regional setting and geochronology of the Late Cretaceous Banatitic Magmatic and Metallogenetic Belt Miner. Depos. 2002 37 541 567 10.1007/s00126-002-0272-9
Zimmermann A. Stein H. Hannah J. Koželj D. Bogdanov K. Berza T. Tectonic configuration of the Apuseni-Banat-Timok-Srednogorie belt, Balkans-Southern Carpathians, constrained by high precision Re-Os molybdenite ages Miner. Depos. 2008 43 1 21 10.1007/s00126-007-0149-z
Ilinca G. Classic skarn localities of Romania: Contact metamorphism and mineralization related to Late Cretaceous magmatism Acta Mineral. Petrogr. 2010 23 1 50
Ilinca G. Upper Cretaceous contact metamorphism and related mineralizations in Romania Acta Mineral. Petr. Abstr. Ser. 2012 7 59 64
Neubauer F. Contrasting Late-Cretaceous with Neogene ore provinces in the Alpine-Balkan-Carpathian-Dinaride collision belt The Timing and Location of Major Ore Deposits in an Evolving Orogen Blundell D. Neubauer F. von Quadt A. Geological Society (London) Special Publication London, UK 2002 Volume 204 81 102
Săndulescu M. Kräutner H. Borcoş M. Năstăseanu S. Patrulius D. Ştefănescu M. Ghenea C. Lupu M. Savu H. Bercia I. et al. Geological Map of Romania, Scale 1:1,000,000 Institute of Geology and Geophysics Bucharest, Romania 1978
Stoici S.D. Geological and petrographical study of the upper basin of Crişul Negru—Băiţa Bihor, with special look on the boron mineralization and magnesian skarns St. Tehn. Econ. Inst. Geol. Geofiz. Ser. I 1974 7 1 198 (In Romanian)
Marincea S. New data on szaibelyite from the type locality, Băiţa Bihor, Romania Can. Min. 2001 39 111 127 10.2113/gscanmin.39.1.111
Stoici S.D. The Metallogenetic District Băiţa Bihor Academiei Bucharest, Romania 1983 1 189 (In Romanian)
Ştefan A. Lazăr C. Berbeleac I. Udubaşa G. Evolution of the Banatitic magmatism in the Apuseni Mts. and the associated metallogenesis Dări Seamă Sedințelor. Institutul Geol. Geofiz. 1988 72–73 195 213
Pavelescu L. Pop G.O. Weisz E. Popescu G. La nature et l’âge du batholite banatitique de Bihor Proceedings of the 13th Congress of the Carpatho-Balkan Geological Association (KBGA) Cracow, Poland 5–10 September 1985 Geological Institute Warsaw, Poland 98 101
Bleahu M. Soroiu M. Catilina R. On the Cretaceous tectonic-magmatic evolution of the Apuseni Mountains as revealed by K-Ar dating Rev. Roum. Phys. 1984 29 123 130
Gallhofer D. Magmatic Geochemistry and Geochronology in Relation to the Geodynamic and Metallogenetic Evolution of the Banat Region and Apuseni Mountains of Romania Diss. ETH no 22888 ETH Zürich, Switzerland 2015 1 145
Bordea S. Bleahu M. Bordea I. New stratigraphic and structural data on Western Bihor: The Următ and Vetre Units Dări Seamă Şedințelor. Institutul Geol. Geofiz. 1975 11 61 83 (In Romanian)
Gherasi N. Microfacies, thermal and metasomatic metamorphism in the upper basin of Crişul Negu Dări Seamă Şedințelor. Institutul Geol. 1967 54 22 54 (In Romanian)
Appleman D.E. Evans H.T. Jr. Indexing and Least-Squares Refinement of Powder Diffraction Data Computer Contribution 20, (NTIS Doc. PB-216) U.S. Geological Survey Springfield, VA, USA 1973
Benoit P.H. Adaptation to microcomputer of the Appleman-Evans program for indexing and least-squares refinement of powder-diffraction data for unit-cell dimensions Am. Mineral. 1987 72 1018 1019
Pouchou J.L. Pichoir F. PAP ϕ (ρZ) procedure for improved quantitative microanalysis Microbeam Analysis Armstrong J.T. San Francisco Press Berkeley, CA, USA 1985 104 106
Agilent Technologies Xcalibur CCD System, CrysAlis Software System Agilent Technologies Yarnton, UK 2012
Palatinus L. Chapuis G. Superflip—A computer program for the solution of crystal structures by charge flipping in arbitrary dimensions J. Appl. Crystallogr. 2007 40 786 790 10.1107/S0021889807029238
Petříček V. Dušek M. Palatinus L. Crystallographic computing system Jana2006: General features Z. Kristallogr. 2014 229 345 352 10.1515/zkri-2014-1737
Del Valle C.A. Cristallochimie des Minéraux W-Mo de Skarns de Haute-Température des Monts Banat et Apuseni (Ouest de la Roumanie) Master’s Thesis University of Liège Liège, Belgium 2019 1 93
Droop G.T.R. A general equation for estimating Fe3+ concentrations in ferromagnesian silicates and oxides from microprobe analyses, using stoichiometric criteria Mineral. Mag. 1987 51 431 435 10.1180/minmag.1987.051.361.10
Long J.V.P. Agrell S.O. The cathode-luminescence of minerals in thin sections Min. Mag. 1965 34 318 326
Peacock M.A. On wollastonite and parawollastonite Am. J. Sci. 1935 30 495 529 10.2475/ajs.s5-30.180.495
Mamedov K.S. Belov N.V. Crystal structure of wollastonite Dokl. Akad. Nauk. SSSR 1956 107 463 466 (In Russian)
Mandarino J.A. The Gladstone-Dale relationship. IV. The compatibility concept and its application Can. Mineral. 1981 19 441 450
Buerger M.J. The arrangement of atoms in crystals of the wollastonite group of metasilicates Proc. Nat. Acad. Sci. USA 1956 42 113 116 10.1073/pnas.42.3.113
Buerger M.J. Prewitt C.T. The crystal structure of wollastonite and pectolite Proc. Nat. Acad. Sci. USA 1961 47 1884 1888 10.1073/pnas.47.12.1884 16578516
Prewitt C.T. Structure and Crystal Chemistry of Wollastonite and Pectolite Ph.D. Thesis Massachusetts Institute of Technology Cambridge, MA, USA 1962 292p
Peacor D.R. Prewitt C.T. Comparison of the crystal structures of bustamite and wollastonite Am. Mineral. 1963 48 588 596
Prewitt C.T. Buerger M.J. Comparison of the crystal structures of wollastonite and pectolite Mineral. Soc. Am. Spec. Papers 1963 1 293 302
Ohashi Y. Finger L.W. The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series Am. Mineral. 1978 63 274 288
Ohashi Y. Polysynthetically-twinned structures of enstatite and wollastonite Phys. Chem. Miner. 1984 10 217 229 10.1007/BF00309314
Angel R.J. Structural variation in wollastonite and bustamite Mineral. Mag. 1985 49 37 48 10.1180/minmag.1985.049.350.05
Mazzucato E. Gualtieri A.F. Wollastonite polytypes in the CaO-SiO2 system. Part I. Crystallisation kinetics Phys. Chem. Miner. 2000 27 565 574 10.1007/s002690000095
Milani S. Comboni D. Lotti P. Fumagalli P. Ziberna L. Maurice J. Hanfland M. Merlini M. Crystal structure evolution of CaSiO3 polymorphs at Earth’s mantle pressures Minerals 2021 11 652 10.3390/min11060652
Liebau F. Über die Kristallstruktur des Pyroxmangits [(Mn, Fe, Ca, Mg)SiO3]x Naturwissenschaften 1957 44 178 10.1007/BF00599848
Ito T. Sadanaga R. Takeuchi Y. Tokonami M. The existence of partial mirrors in wollastonite Proc. Jpn. Acad. 1969 45 913 918 10.2183/pjab1945.45.913
Murouchi Y. Okuno M. Sasaki N. Amorphization of wollastonite and diopside by ball milling Sci. Rep. Kanazawa Univ. 2021 65 17 30
Kalinkina E.V. Kalinkin A.M. Forsling W. Makarov A.M. Sorption of atmospheric carbon dioxide and structural changes of Ca and Mg silicate minerals during grinding. II. Enstatite, åkermanite and wollastonite Int. J. Miner. Process. 2001 61 289 299 10.1016/S0301-7516(00)00038-7
Kubicki J.D. Hemley R.J. Hofmeister A.M. Raman and infrared study of pressure-induced structural changes in MgSiO3, CaMgSi2O6, and CaSiO3 glasses Am. Mineral. 1992 77 258 269
Park J.H. Min D.J. Song H.S. FT-IR spectroscopic study on structure of CaO–SiO2 and CaO–SiO2–CaF2 slags ISIJ Int. 2002 42 344 351 10.2355/isijinternational.42.344
Khalil E.M.A. El Batal F.H. Hamdy Y.M. Zidan H.M. Aziz M.S. Abdelghany A.M. Infrared absorption spectra of transition metals-doped soda lime silica glasses Phys. B Condens. Matter 2010 405 1294 1300 10.1016/j.physb.2009.11.070
Lazarev A.N. Tenisheva T.F. Vibrational spectra of silicates III. Infrared spectra of pyroxenoids and other chain metasilicates Opt. Spektrosk. 1961 11 316–317, 584–587
Rutstein M.S. White W.B. Vibrational spectra of high-calcium pyroxenes and pyroxenoids Am. Mineral. 1971 56 877 887
Zhao W. Zhang Q. Peng C. FTIR spectra for molecular structure of wollastonite J. Chin. Ceram. Soc. 2006 34 1137 1139
Huang E. Chen C.H. Huang T. Lin E.H. Xu J.-A. Raman spectroscopic characteristics of Mg-Fe-Ca pyroxenes Am. Mineral. 2000 85 473 479 10.2138/am-2000-0408
Buzatu A. Buzgar N. The Raman study of single-chain silicates Analele St. Univ. “Al. I. Cuza” Iaşi Geol. 2010 56 107 125
Yin C.D. Okuno M. Morikawa H. Marumo F. Yamanaka T. Structural analysis of CaSiO3 glass by X-ray diffraction and Raman spectroscopy J. Non-Cryst. Solids 1986 80 167 174 10.1016/0022-3093(86)90391-1
Harker R.T. Tuttle O.F. Experimental data on the PCO2—T curve for the reaction: Calcite + quartz = wollastonite + carbon dioxide Am. J. Sci. 1956 254 239 256 10.2475/ajs.254.4.239
Greenwood H.J. Wollastonite: Stability in H2O–CO2 mixtures and occurrence in a contact—Metamorphic aureole near Salmo, British Columbia, Canada Am. Mineral. 1967 52 1669 1680
Holland T.J.B. Powell R. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids J. Metamorph. Geol. 2011 29 333 383 10.1111/j.1525-1314.2010.00923.x
Grammatikopoulos T.A. Clark A.H. A comparative study of wollastonite skarn genesis in the Central Metasedimentary Belt, southeastern Ontario, Canada Ore Geol. Rev. 2006 29 146 161 10.1016/j.oregeorev.2005.11.007
Korzhinskii D.S. Theory of Metasomatic Zoning Agrell J. Clarendon Press Oxford, UK 1970 1 162
Kalinin D.V. Lower temperature boundaries for the formation of tremolite, diopside and wollastonite under hydrothermal conditions; experimental data Geochem. Intern. 1967 4 836 839
Jellinek F. Brauer G. Müller H. Molybdenum and niobium sulphides Nature 1960 185 376 377 10.1038/185376a0