NDLI: Trigohexagonite

Content Provider	Springer Nature Link
Author	Bucknum, Michael J. Wen, Bin Castro, Eduardo A.
Copyright Year	2010
Abstract	A novel 3-,4-connected network is reported in this communication that is a rare example of a three-dimensional (3D) network with a quaternary stoichiometry, in which 4 distinct sites of bonding occur in the unit of pattern of the material. The net lies in the hexagonal space group P-6m2 (#187) and there are 10 vertices (or atoms) in the unit cell, including 4 sites of approximately trigonal planar coordination and 6 sites of approximately tetrahedral coordination. All vertices (atoms) in the network sit on special positions in the P-6m2 space group, giving the network high sixfold symmetry axes parallel to the crystallographic c-axis. The structure has thus been named trigohexagonite in a loose analogy with its hexagonite crystalline homolog, sitting in the hexagonal space group P6/mmm (#191). The Wells point symbol for the trigohexagonite network is given by (7$^{3}$)(6$^{3}$8$^{3}$)$_{3}$(6.7$^{2}$)$_{3}$(3.7$^{4}$.8)$_{3}$ where this symbol indicates the quaternary stoichiometry of the network. The Wells point symbol also reveals that the only structural strain present in the network comes from the presence of the 3-gon, cyclopropane-like moieties in it, built on tetrahedral vertices. This structural motif of cyclopropane-like rings has precedent in organic chemistry and it adds character to the overall sixfold symmetry of the trigohexagonite pattern. Also, the overall network contains rare trimethylenemethane-like clusters of 4 trigonal planar vertices (atoms), bonded together, that constitute the 3-connected component of the network. Both c$_{10}$ and B$_{10}$ realizations are briefly described.
Starting Page	816
Ending Page	826
Page Count	11
File Format	PDF
ISSN	02599791
Journal	Journal of Mathematical Chemistry
Volume Number	48
Issue Number	3
e-ISSN	15728897
Language	English
Publisher	Springer Netherlands
Publisher Date	2010-07-07
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Connected network Quaternary stoichiometric Math. Applications in Chemistry Theoretical and Computational Chemistry Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Applied Mathematics Chemistry

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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