Materials Data on LaCe4(SiRu)10 by Materials Project
Ce4La(RuSi)10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Si4- atoms. All Ce–Si bond lengths are 3.24 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.24 Å) and four longer (3.25 Å) Ce–Si bond lengths. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.26 Å. There are three inequivalent Ru+2.50+ sites. In the first Ru+2.50+ site, Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. In the second Ru+2.50+ site, Ru+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.40 Å) Ru–Si bond lengths. In the third Ru+2.50+ site, Ru+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. There are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Ru+2.50+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+ and four equivalent Ru+2.50+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+ and four equivalent Ru+2.50+ atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+ and four equivalent Ru+2.50+ atoms. In the fifth Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ru+2.50+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1665271
- Report Number(s):
- mp-1223245
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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