12/25/2023 0 Comments Building a crystal in crystalmakerStructural DataBuilding a crystal doesnt have to be as painful as it might seem. We will use the resulting model for the rest of the tutorial. Well start by defining the atomic positions, then proceed to edit colours, atomic radii, define bonds and polyhedra. Finally, we bring graphics and data together, by publishing a web page.ĪBuilding an Inorganic StructureCrystalMaker lets you build any kind of crystal or structure, with automatic symmetry-generation, bonding and polyhedra.In this section, we shall make a crystal structure model of the oxide mineral spinel (MgAl2O4). We then generate bonding and display one unit cell.In the second section we expand the plot range, locate missing bonds and use explore different rendering modes and model types.In the final section we use screen tools to measure the structure, display coordination clusters and export bond/angle data to a text file. We recommend that you follow all the steps (indicated by the numbered boxes, 1 )in order to build up your understanding.In the first section, we shall build a crystal structure from scratch, using its spacegroup symbol, cell parameters and asymmetric unit. ![]() This tutorial is divided into three consecutive sections, designed to illustrate different aspects of CrystalMakers capabilities. 35ĬrystalMaker is a powerful program, but this tutorial is designed to quickly familiarize yourself with its key features. 17 Defining a View Direction.18 Changing the Crystal Model. Section A Building an Inorganic Structure. Special thanks to Charles Prewitt, John Geleynse, Liang Hoe, Robert Kehrer, Martin Dove, Tim Holland, Joel Miller and Yoshitaka Matsushita CrystalMaker, CrystalDiffract and SingleCrystal are trademarks or registered trademarks of CrystalMaker Software Ltd. Microsoft, Windows and the Windows logo are trademarks, or registered trademarks of Microsoft Corporation. Mac is a trademark of Apple Inc., registered in the U.S.A. In particular, because CrystalMaker Software Ltd frequently releases new versions and software updates, images shown in this guide may be slightly different to what you might see on your screen.ĬrystalMaker Software Ltd make no representations, express or implied, with respect to this guide or the software it describes, including without limitations, any implied warranties of merchantability or fitness for a particular purpose, all of which are expressly disclaimed. While the authors have tried to ensure that all information in this guide is accurate, CrystalMaker Software Ltd cannot be held responsible for any errors. No part of this publication may be reproduced or transmitted for commercial purposes, such as selling copies or for providing paid-for support services, without the prior written consent of the copyright holder, CrystalMaker Software Ltd. All rights reserved.Īn authorized user of a valid copy of CrystalMaker may reproduce this guide for the purpose of learning how to use the software. ![]() ![]() Interactive Visualization forCrystal & MolecularStructuresĢ012 CrystalMaker software Ltd.
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