Possible existence of alkali metal orthocarbonates at high pressure |
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| Authors: | Cancarević Zeljko P Schön J Christian Jansen Martin |
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| Institution: | Max‐Planck‐Institut für Festk?rperforschung, Heisenbergstrasse 1, 70569 Stuttgart, Germany, Fax: (+49)?711‐689‐1502 |
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| Abstract: | We investigate the possible existence of crystalline alkali metal orthocarbonates, A(4)CO(4), where A=Li, Na, K, Rb, and Cs. We study the equilibrium between the possible modifications of the orthocarbonate A(4)CO(4) and the binary mixture of the possible modifications of the alkali oxide A(2)O and those of the alkali metal carbonate A(2)CO(3) as function of pressure. In all cases, the orthocarbonate should be stable at sufficiently high pressure ranging from 22-32 GPa (Rb(4)CO(4)) to 200-220 GPa (Cs(4)CO(4)). |
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| Keywords: | alkali metal orthocarbonates high pressure polymorphs structure prediction |
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