Materials Data on Er2B4C by Materials Project
Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1355479
- Report Number(s):
- mp-1025246
- Country of Publication:
- United States
- Language:
- English
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