octahedral clusters
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Author(s):  
Ranjit Bag ◽  
Sourav Gayen ◽  
Stutee Mohapatra ◽  
P.K. Sudhadevi Antharjanam ◽  
Jean-François Halet ◽  
...  

2019 ◽  
Vol 98 ◽  
pp. 106013 ◽  
Author(s):  
E.L. Belokoneva ◽  
T.A. Eremina ◽  
D.G. Koshchug ◽  
O.V. Dimitrova ◽  
A.S. Volkov
Keyword(s):  

2019 ◽  
Vol 114 (7) ◽  
pp. 071901 ◽  
Author(s):  
Chong Qiao ◽  
Y. R. Guo ◽  
S. Y. Wang ◽  
Ming Xu ◽  
Xiangshui Miao ◽  
...  

2019 ◽  
Vol 1 (1) ◽  
pp. 89-93 ◽  
Author(s):  
Tomas Lazauskas ◽  
Alexey A. Sokol ◽  
Scott M. Woodley

A computational discovery of a new structural form of carbon competitive with fullerenes at the small size end of the nanoscale.


2018 ◽  
Vol 82 (5) ◽  
pp. 1033-1047 ◽  
Author(s):  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
Dmitry A. Ksenofontov ◽  
Nikita V. Chukanov ◽  
Vasiliy O. Yapaskurt ◽  
...  

ABSTRACTThe borate mineral satimolite, which was first described in 1969 and remained poorly-studied until now, has been re-investigated (electron microprobe analysis, single-crystal and powder X-ray diffraction studies, crystal-structure determination, infrared spectroscopy) and redefined based on the novel data obtained for the holotype material from the Satimola salt dome and a recently found sample from the Chelkar salt dome, both in North Caspian Region, Western Kazakhstan. The revised idealized formula of satimolite is KNa2(Al5Mg2)[B12O18(OH)12](OH)6Cl4·4H2O (Z = 3). The mineral is trigonal, space group R$\bar{3}$m, unit-cell parameters are: a = 15.1431(8), c = 14.4558(14) Å and V = 2870.8(4) Å3 (Satimola) and a = 15.1406(4), c = 14.3794(9) Å and V = 2854.7(2) Å3 (Chelkar). The crystal system and unit-cell parameters are quite different from those reported previously. The crystal structure of the sample from Chelkar was solved based on single-crystal data (direct methods, R = 0.0814) and the structure of the holotype from Satimola was refined on a powder sample by the Rietveld method (Rp = 0.0563, Rwp = 0.0761 and Rall = 0.0667). The structure of satimolite is unique for minerals. It contains 12-membered borate rings [B12O18(OH)12] in which BO3 triangles alternate with BO2(OH)2 tetrahedra sharing common vertices, and octahedral clusters [M7O6(OH)18] with M = Al5Mg2 in the ideal case, with sharing of corners between rings and clusters to form a three-dimensional heteropolyhedral framework. Each borate ring is connected with six octahedral clusters: three under the ring and three over the ring. Large ellipsoidal cages in the framework host Na and K cations, Cl anions and H2O molecules.


2018 ◽  
Vol 57 (4) ◽  
pp. 2072-2084 ◽  
Author(s):  
Yulia M. Litvinova ◽  
Yakov M. Gayfulin ◽  
Konstantin A. Kovalenko ◽  
Denis G. Samsonenko ◽  
Jan van Leusen ◽  
...  

Polyhedron ◽  
2017 ◽  
Vol 128 ◽  
pp. 121-125 ◽  
Author(s):  
Chang Liu ◽  
Yang Mei ◽  
Bo-Wei Chen ◽  
Hong-Gang Liu ◽  
Wen-Chen Zheng

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