Materials Data on PrBC by Materials Project
PrBC crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to five B and five C atoms. There are a spread of Pr–B bond distances ranging from 2.96–3.05 Å. There are a spread of Pr–C bond distances ranging from 2.56–2.95 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to six B and five C atoms. There are a spread of Pr–B bond distances ranging from 2.73–3.03 Å. There are a spread of Pr–C bond distances ranging from 2.66–3.06 Å. In the third Pr site, Pr is bonded in a 8-coordinate geometry to four B and five C atoms. There are a spread of Pr–B bond distances ranging from 2.81–3.09 Å. There are a spread of Pr–C bond distances ranging from 2.56–3.04 Å. In the fourth Pr site, Pr is bonded in a 11-coordinate geometry to five B and six C atoms. There are a spread of Pr–B bond distances ranging from 2.68–3.04 Å. There are a spread of Pr–C bond distances ranging from 2.64–3.11 Å. In the fifth Pr site, Pr is bonded in a 2-coordinate geometry to six B and four C atoms. There are a spread of Pr–B bond distances ranging from 2.77–2.88 Å. There are a spread of Pr–C bond distances ranging from 2.74–2.77 Å. There are five inequivalent B sites. In the first B site, B is bonded in a bent 150 degrees geometry to five Pr and two C atoms. Both B–C bond lengths are 1.48 Å. In the second B site, B is bonded in a distorted single-bond geometry to six Pr and one C atom. The B–C bond length is 1.50 Å. In the third B site, B is bonded in a bent 150 degrees geometry to five Pr and two C atoms. There is one shorter (1.47 Å) and one longer (1.49 Å) B–C bond length. In the fourth B site, B is bonded in a distorted single-bond geometry to five Pr and one C atom. The B–C bond length is 1.49 Å. In the fifth B site, B is bonded in a distorted bent 150 degrees geometry to five Pr and two C atoms. There is one shorter (1.47 Å) and one longer (1.49 Å) B–C bond length. There are five inequivalent C sites. In the first C site, C is bonded in a distorted bent 150 degrees geometry to five Pr and two B atoms. In the second C site, C is bonded in a distorted bent 150 degrees geometry to five Pr and two B atoms. In the third C site, C is bonded in a 1-coordinate geometry to five Pr and one B atom. In the fourth C site, C is bonded in a distorted bent 150 degrees geometry to five Pr and two B atoms. In the fifth C site, C is bonded in a distorted octahedral geometry to five Pr and one B atom.
- 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:
- 1275896
- Report Number(s):
- mp-570767
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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