Crystallography Open Database

Information card for entry 3000024

Preview

Coordinates	3000024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 O6 Zn3
Calculated formula	Al2 O6 Zn3
SMILES	[Al+3].[Al+3].[Zn+2].[Zn+2].[Zn+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
Title of publication	Crystal structure prediction for supersaturated AZO: the case of Zn3Al2O6
Authors of publication	Kim Rijpstra; Stefaan Cottenier; Michel Waroquier; Veronique Van Speybroeck
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Pages of publication	10440
a	7.651867 Å
b	5.447268 Å
c	3.241884 Å
α	90°
β	90°
γ	109.709°
Cell volume	127.211 Å³
Number of distinct elements	3
Space group number	6
Hermann-Mauguin space group symbol	P 1 1 m
Hall space group symbol	P -2
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176438 (current)	2016-02-15	cif/3/00/00/ Marking structure 3000024 as theoretical, converting some of the _[local]_ tags to appropriate ones from cif_tcod.dic.	3000024.cif
90847	2013-11-19	cif/ Updating files of 3000024 Original log message: Releasing structure 3000024 into public domain as published material.	3000024.cif
79381	2013-04-04	cif/ Adding structures of 3000024 via cif-deposit CGI script.	3000024.cif