Crystal Structure Design Support System

Yutaka Imasato¹, Masahito Kawai¹, Kimitoshi Naito¹, Shuitiro Ono², Hiroshi Hayakawa², Tosio Sakurai³, and Kimiko Kobayashi⁴

¹FACOM-HITAC LIMITED, 6-2 Sanbancho, Chiyoda-ku, Tokyo 102, Japan
²National Chemical Laboratory for Industry, 1-1 Higashi, Tsukuba 305, Japan
³Faculty of Education, Shinsyu University, Nishinagano, Nagano 380, Japan
⁴The Institute of Physical and Chemical Research, Wako, Saitama 351-01, Japan

(Received January 15, 1991; Accepted February 11, 1991)

Keywords: CRYSTRUCT, Inorganic Crystal Structure, Symmetry Operation

Abstract. A new 3-dimensional graphic system, which is suitable especially for inorganic structures, has been developed aiming at an interface tool in the crystal structure design support system "Crystruct" on Fujitsu S-4 series (UNIX workstation, full compatible with Sun Sparc series). User can build an imaginary structure by assembling existing crystal structure using 3D graphics. After modeling crystal structure, crystal structure data can be extracted by function of 'Unit cell identification', or 'Space group identification'.