Wardite (NaAl3(PO4)2(OH)4·2H2O) at High Pressure: Compressional Behavior and Structure Evolution
Abstract
:1. Introduction
2. Materials and Methods
3. Results
3.1. Compressional Behavior
3.2. Results: Structure Evolution at High Pressure
4. Discussion and Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
- Davison, J.M. Wardite: A new hydrous basic phosphate of alumina. Am. J. Sci. 1896, 2, 154–155. [Google Scholar] [CrossRef]
- Kampf, A.R.; Adams, P.M.; Housley, R.M.; Rossman, G.R. Fluorowardite, NaAl3(PO4)2(OH)2F2∙2H2O, the fluorine analog of wardite from the Silver Coin mine, Valmy, Nevada. Am. Mineral. 2014, 99, 804–810. [Google Scholar] [CrossRef]
- Fanfani, L.; Nunzi, A.; Zanazzi, P. The crystal structure of wardite. Mineral. Mag. 1970, 37, 598–605. [Google Scholar] [CrossRef]
- Gatta, G.D.; Guastoni, A.; Fabelo, O.; Fernandez-Diaz, M.T. A single-crystal neutron diffraction study of wardite, NaAl3(PO4)2(OH)4∙2H2O. Phys. Chem. Miner. 2019, 46, 427–435. [Google Scholar] [CrossRef]
- Breitinger, D.K.; Belz, H.H.; Hajba, L.; Komlósi, V.; Mink, J.; Brehm, G.; Colognesi, D.; Parker, S.F.; Schwab, R.G. Combined vibrational spectra of natural wardite. J. Mol. Struct. 2004, 706, 95–99. [Google Scholar] [CrossRef]
- Frost, R.L.; Erickson, K.L. Near-infrared spectroscopic study of selected hydrated hydroxylated phosphates. Spectrochim. Acta-Part A Mol. Biomol. Spectrosc. 2005, 61, 45–50. [Google Scholar] [CrossRef] [Green Version]
- Frost, R.L.; Xi, Y. A vibrational spectroscopic study of the phosphate mineral Wardite NaAl3(PO4)2(OH)4∙2H2O. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 2012, 93, 155–163. [Google Scholar] [CrossRef] [Green Version]
- Robertson, B.T. Occurrence of epigenetic phosphate minerals in a phosphatic iron formation, Yukon Territory. Can. Mineral. 1982, 20, 177–187. [Google Scholar]
- Robinson, G.W.; Van Velthuizen, J.; Ansell, H.G.; Sturman, B.D. Mineralogy of the Rapid Creek and Big Fish River area, Yukon Territory. Mineral. Rec. 1992, 23, 1–47. [Google Scholar]
- Mao, H.K.; Xu, J.; Bell, P.M. Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. J. Geophys. Res. 1986, 91, 4673. [Google Scholar] [CrossRef]
- Angel, R.J.; Bujak, M.; Zhao, J.; Gatta, G.D.; Jacobsen, S.D. Effective hydrostatic limits of pressure media for high-pressure crystallographic studies. J. Appl. Crystallogr. 2007, 40, 26–32. [Google Scholar] [CrossRef]
- Merlini, M.; Hanfland, M. Single-crystal diffraction at megabar conditions by synchrotron radiation. High Press. Res. 2013, 33, 511–522. [Google Scholar] [CrossRef]
- Rigaku Oxford Diffraction CrysAlisPro Software System, version 1.171.38.46; Rigaku Corporation: Oxford, UK, 2018.
- Petrícek, V.; Dušek, M.; Palatinus, L. Crystallographic computing system JANA2006: General features. Z. Kristallogr. 2014, 229, 345–352. [Google Scholar]
- Birch, F. Finite elastic strain of cubic crystals. Phys. Rev. 1947, 71, 809–824. [Google Scholar] [CrossRef]
- Gonzalez-Platas, J.; Alvaro, M.; Nestola, F.; Angel, R. EosFit7-GUI: A new graphical user interface for equation of state calculations, analyses and teaching. J. Appl. Crystallogr. 2016, 49, 1377–1382. [Google Scholar] [CrossRef]
- Angel, R.J. Equation of State. In High-Temperature and High Pressure Crystal Chemistry; Hazen, R.M., Downs, R.T., Eds.; Mineralogical Society of America: Chantilly, VA, USA, 2000; pp. 35–59. [Google Scholar]
- Angel, R.J.; Allan, D.R.; Miletich, R.; Finger, L.W. The use of quartz as an internal pressure standard in high-pressure crystallography. J. Appl. Crystallogr. 1997, 30, 461–466. [Google Scholar] [CrossRef]
- Benusa, M.D.; Angel, R.J.; Ross, N.L. Compression of albite, NaAlSi3O8. Am. Mineral. 2005, 90, 1115–1120. [Google Scholar] [CrossRef]
- Gatta, G.D.; Rotiroti, N.; Pavese, A.; Lotti, P.; Curetti, N. Structural evolution of a 3T phengite mica up to 10 GPa: An in-situ single-crystal X-ray diffraction study. Z. Kristallogr. 2009, 224, 302–310. [Google Scholar] [CrossRef]
- Gatta, G.D.; Merlini, M.; Rotiroti, N.; Curetti, N.; Pavese, A. On the crystal chemistry and elastic behavior of a phlogopite 3T. Phys. Chem. Miner. 2011, 38, 655–664. [Google Scholar] [CrossRef]
- Nestola, F.; Gatta, G.D.; Boffa-Ballaran, T. The effect of Ca substitution on the elastic and structural behavior of orthoenstatite. Am. Mineral. 2006, 91, 809–815. [Google Scholar] [CrossRef]
- Pamato, M.G.; Nestola, F.; Novella, D.; Smyth, J.R.; Pasqual, D.; Gatta, G.D.; Alvaro, M.; Secco, L. The high-pressure structural evolution of olivine along the forsterite–fayalite join. Minerals 2019, 9, 790. [Google Scholar] [CrossRef] [Green Version]
- Gatta, G.D.; Nestola, F.; Boffa-Ballaran, T. Elastic behaviour and structural evolution of topaz at high pressure. Phys. Chem. Miner. 2006, 33, 235–242. [Google Scholar] [CrossRef]
- Gatta, G.D.; Merlini, M.; Valdrè, G.; Liermann, H.P.; Nénert, G.; Rothkirch, A.; Kahlenberg, V.; Pavese, A. On the crystal structure and compressional behavior of talc: A mineral of interest in petrology and material science. Phys. Chem. Miner. 2013, 40, 145–156. [Google Scholar] [CrossRef] [Green Version]
- Gatta, G.D.; Lotti, P.; Merlini, M.; Liermann, H.P.; Lausi, A.; Valdrè, G.; Pavese, A. Elastic behaviour and phase stability of pyrophyllite and talc at high pressure and temperature. Phys. Chem. Miner. 2015, 42, 309–318. [Google Scholar] [CrossRef]
- Hazen, R.M.; Downs, R.T.; Prewitt, C. Principles of Comparative Crystal Chemistry. In High-Temperature and High Pressure Crystal Chemistry; Hazen, R.M., Downs, R.T., Eds.; Mineralogical Society of America: Chantilly, VA, USA, 2000; pp. 1–33. [Google Scholar]
P (GPa) | V (Å3) | a (Å) | c (Å) |
---|---|---|---|
0.0001 | 958.6(5) | 7.0673(2) | 19.193(9) |
0.15(5) | 956.9(4) | 7.0677(2) | 19.156(8) |
0.32(5) | 954.5(4) | 7.0634(2) | 19.132(8) |
0.53(5) | 951.4(4) | 7.0568(2) | 19.104(8) |
0.85(5) | 948.2(5) | 7.0505(2) | 19.075(8) |
1.18(5) | 943.8(4) | 7.0390(2) | 19.048(8) |
1.55(5) | 940.7(4) | 7.0349(8) | 19.008(8) |
2.12(5) | 934.8(4) | 7.0203(2) | 18.968(8) |
2.63(5) | 930.9(4) | 7.0128(2) | 18.929(8) |
3.27(5) | 924.5(4) | 6.9976(2) | 18.880(7) |
3.88(5) | 918.4(4) | 6.9846(2) | 18.826(8) |
4.70(5) | 911.1(4) | 6.9691(2) | 18.760(8) |
5.45(5) | 904.5(4) | 6.9559(2) | 18.694(8) |
6.55(5) | 896.1(4) | 6.9377(2) | 18.617(8) |
6.99(5) | 892.6(4) | 6.9288(2) | 18.592(8) |
7.68(5) | 886.4(4) | 6.9155(2) | 18.535(7) |
8.08(5) | 884.0(4) | 6.9120(2) | 18.502(9) |
8.78(5) | 879.3(3) | 6.9016(2) | 18.461(7) |
9.08(5) | 876.7(3) | 6.8935(1) | 18.449(7) |
6.95(5) * | 893.6(3) | 6.9309(1) | 18.602(7) |
1.78(5) * | 939.4(1) | 7.0387(4) | 18.961(8) |
0.0001 * | 958.3(8) | 7.0805(2) | 19.115(10) |
Unit-Cell Parameters | V0, x0 (Å3, Å) | KV0, x0 (GPa) | K′ | βV0, x0 (GPa−1) |
---|---|---|---|---|
V | 957.8(2) | 85.8(4) | 4 * | 0.01166(5) |
a | 7.074(1) | 98(3) | 4 * | 0.0034(1) |
c | 19.161(7) | 64(1) | 4 * | 0.0052(1) |
II-BM EoS, 0.0001 < P < 9.08(5) GPa | ||||
V | 958.2(2) | 82(2) | 4.9(5) | 0.0122(3) |
a | 7.0675(4) | 102(2) | 5(1) | 0.0033(1) |
c | 19.17(1) | 63(5) | 4(1) | 0.0053(5) |
III-BM EoS, 0.0001 < P < 9.08(5) GPa |
© 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Share and Cite
Gatta, G.D.; Comboni, D.; Lotti, P.; Guastoni, A.; Rotiroti, N.; Hanfland, M. Wardite (NaAl3(PO4)2(OH)4·2H2O) at High Pressure: Compressional Behavior and Structure Evolution. Minerals 2020, 10, 877. https://doi.org/10.3390/min10100877
Gatta GD, Comboni D, Lotti P, Guastoni A, Rotiroti N, Hanfland M. Wardite (NaAl3(PO4)2(OH)4·2H2O) at High Pressure: Compressional Behavior and Structure Evolution. Minerals. 2020; 10(10):877. https://doi.org/10.3390/min10100877
Chicago/Turabian StyleGatta, G. Diego, Davide Comboni, Paolo Lotti, Alessandro Guastoni, Nicola Rotiroti, and Michael Hanfland. 2020. "Wardite (NaAl3(PO4)2(OH)4·2H2O) at High Pressure: Compressional Behavior and Structure Evolution" Minerals 10, no. 10: 877. https://doi.org/10.3390/min10100877