Materials Data on Gd5Si4 by Materials Project
Gd5Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.07–3.16 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the fifth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the sixth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.18 Å. In the seventh Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.07–3.16 Å. In the eighth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the ninth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.05 Å. In the tenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.90–3.05 Å. In the eleventh Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the twelfth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.89–3.06 Å. In the thirteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the fourteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.89–3.06 Å. In the fifteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.91–3.04 Å. In the sixteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the seventeenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.95–3.32 Å. In the eighteenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.96–3.31 Å. In the nineteenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.95–3.34 Å. In the twentieth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.94–3.33 Å. There are sixteen inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.49 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the sixth Si site, Si is bonded in a 8-coordinate geometry to seven Gd and one Si atom. In the seventh Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. In the eighth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the ninth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the tenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the eleventh Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the twelfth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.51 Å. In the thirteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the fourteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the fifteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the sixteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom.