Инд. авторы:	Gavryushkin P.N., Martirosyan N.S., Inerbaev T.M., Popov Z.I., Rashchenko S.V., Likhacheva A.Y., Lobanov S.S., Goncharov A.F., Prakapenka V.B., Litasov K.D.
Заглавие:	Aragonite-II and CaCO3-VII: New High-Pressure, High-Temperature Polymorphs of CaCO3
Библ. ссылка:	Gavryushkin P.N., Martirosyan N.S., Inerbaev T.M., Popov Z.I., Rashchenko S.V., Likhacheva A.Y., Lobanov S.S., Goncharov A.F., Prakapenka V.B., Litasov K.D. Aragonite-II and CaCO3-VII: New High-Pressure, High-Temperature Polymorphs of CaCO3 // Crystal Growth & Design. - 2017. - Vol.17. - Iss. 12. - P.6291-6296. - ISSN 1528-7483. - EISSN 1528-7505.
Внешние системы:	DOI: 10.1021/acs.cgd.7b00977; РИНЦ: 32867937; РИНЦ: 35517818; WoS: 000417669900018;
Реферат:	eng: The importance for the global carbon cycle, the P-T phase diagram of CaCO3 has been under extensive investigation since the invention of the high-pressure techniques. However, this study is far from being completed. In the present work, we show the existence of two new high-pressure polymorphs of CaCO3. The crystal structure prediction performed here reveals a new polymorph corresponding to distorted aragonite structure and named aragonite-II. In situ diamond anvil cell experiments confirm the presence of aragonite-II at 35 GPa and allow identification of another high-pressure polymorph at 50 GPa, named CaCO3-VII. CaCO3-VII is a structural analogue of CaCO3-P2(1)/c-1, predicted theoretically earlier. The P-T phase diagram obtained based on a quasi-harmonic approximation shows the stability field of CaCO3-VII and aragonite-II at 30-50 GPa and 0-1200 K. Synthesized earlier in experiments on cold compression of calcite, CaCO3-VI was found to be metastable in the whole pressure temperature range.
Ключевые слова:	SYSTEM; BEHAVIOR; REFINEMENT; COMPRESSIBILITY; CARBON; PROGRAM; EARTHS MANTLE; PHASE-TRANSITIONS; X-RAY-DIFFRACTION; CRYSTAL-STRUCTURE PREDICTION;
Издано:	2017
Физ. характеристика:	с.6291-6296
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