scholarly journals Hydrogen Bonding. High-pressure Phase Studies of Solid Hydrogen Sulfide having Hydrogen Bonds.

2000 ◽  
Vol 10 (1) ◽  
pp. 18-25 ◽  
Author(s):  
Hiroyasu SHIMIZU
1998 ◽  
Vol 57 (10) ◽  
pp. 5699-5703 ◽  
Author(s):  
S. Endo ◽  
A. Honda ◽  
K. Koto ◽  
O. Shimomura ◽  
T. Kikegawa ◽  
...  

1996 ◽  
Vol 54 (2) ◽  
pp. R717-R719 ◽  
Author(s):  
S. Endo ◽  
A. Honda ◽  
S. Sasaki ◽  
H. Shimizu ◽  
O. Shimomura ◽  
...  

1993 ◽  
Vol 71 (23) ◽  
pp. 3814-3817 ◽  
Author(s):  
Fred Moshary ◽  
Nancy H. Chen ◽  
Isaac F. Silvera

1987 ◽  
Vol 140 (5) ◽  
pp. 471-475 ◽  
Author(s):  
A. Anderson ◽  
S. Demoor ◽  
R.C. Hanson

2011 ◽  
Vol 67 (a1) ◽  
pp. C45-C45
Author(s):  
D. Paliwoda ◽  
K. F. Dziubek ◽  
A. Katrusiak

2021 ◽  
Vol 103 (4) ◽  
Author(s):  
Santosh Kumar Radha ◽  
Amol Ratnaparkhe ◽  
Walter R. L. Lambrecht

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 ◽  
2012 ◽  
Vol 43 (33) ◽  
pp. no-no
Author(s):  
Dominik Baumann ◽  
Stefan J. Sedlmaier ◽  
Wolfgang Schnick

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