ChemInform Abstract: High Pressure Phase PtPb2: Synthesis, Structure and Properties.

ChemInform ◽  
2010 ◽  
Vol 23 (2) ◽  
pp. no-no
Author(s):  
E. S. ALEKSEEV ◽  
S. V. POPOVA ◽  
V. I. LARCHEV
1977 ◽  
Vol 16 (11) ◽  
pp. 1891-1898 ◽  
Author(s):  
Takashi Yamamoto ◽  
Hideki Miyaji ◽  
Kenjiro Asai

1991 ◽  
Vol 176 (1) ◽  
pp. 1-6 ◽  
Author(s):  
E.S. Alekseev ◽  
S.V. Popova ◽  
V.I. Larchev

1989 ◽  
Vol 31 (8) ◽  
pp. 1804-1810
Author(s):  
A.A. Turetskii ◽  
O.Yu. Zinov'eva ◽  
M.B. Konstantinopol'skaya ◽  
V.A. Aulov ◽  
Yu.A. Zubov ◽  
...  

2008 ◽  
Vol 63 (6) ◽  
pp. 707-712 ◽  
Author(s):  
Johanna S. Knyrim ◽  
Hubert Huppertz

The high-pressure phase β -ZrB2O5 represents the first ternary borate in the system Zr-B-O. The compound was synthesized under high-pressure / high-temperature conditions of 7.5 GPa and 1100 °C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single crystal X-ray diffraction data, collected at room temperature. The monoclinic zirconium borate crystallizes in the space group P21/c with the lattice parameters a = 439.04(9), b = 691.2(2), c = 896.8(2) pm, and β = 90.96(3)°. The structure is isotypic to the high-pressure phase β -HfB2O5, which is built up from layers of exclusively corner-sharing BO4 tetrahedra. Between these layers, the cations are coordinated square-antiprismatically by eight oxygen atoms.


Minerals ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 607
Author(s):  
Raquel Chuliá-Jordán ◽  
David Santamaria-Perez ◽  
Javier Ruiz-Fuertes ◽  
Alberto Otero-de-la-Roza ◽  
Catalin Popescu

The structure of the naturally occurring, iron-rich mineral Ca1.08(6)Mg0.24(2)Fe0.64(4)Mn0.04(1)(CO3)2 ankerite was studied in a joint experimental and computational study. Synchrotron X-ray powder diffraction measurements up to 20 GPa were complemented by density functional theory calculations. The rhombohedral ankerite structure is stable under compression up to 12 GPa. A third-order Birch–Murnaghan equation of state yields V0 = 328.2(3) Å3, bulk modulus B0 = 89(4) GPa, and its first-pressure derivative B’0 = 5.3(8)—values which are in good agreement with those obtained in our calculations for an ideal CaFe(CO3)2 ankerite composition. At 12 GPa, the iron-rich ankerite structure undergoes a reversible phase transition that could be a consequence of increasingly non-hydrostatic conditions above 10 GPa. The high-pressure phase could not be characterized. DFT calculations were used to explore the relative stability of several potential high-pressure phases (dolomite-II-, dolomite-III- and dolomite-V-type structures), and suggest that the dolomite-V phase is the thermodynamically stable phase above 5 GPa. A novel high-pressure polymorph more stable than the dolomite-III-type phase for ideal CaFe(CO3)2 ankerite was also proposed. This high-pressure phase consists of Fe and Ca atoms in sevenfold and ninefold coordination, respectively, while carbonate groups remain in a trigonal planar configuration. This phase could be a candidate structure for dense carbonates in other compositional systems.


ChemInform ◽  
2011 ◽  
Vol 42 (8) ◽  
pp. no-no
Author(s):  
Michael Woerle ◽  
Urs Fischbach ◽  
Daniel Widmer ◽  
Frank Krumeich ◽  
Reinhard Nesper ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document