DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Pr2BC by Materials Project

Abstract

Pr2BC crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Pr2BC sheet oriented in the (2, 0, -1) direction. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 3-coordinate geometry to three equivalent C3- atoms. There are one shorter (2.48 Å) and two longer (2.60 Å) Pr–C bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to four equivalent B3- and two equivalent C3- atoms. There are two shorter (2.74 Å) and two longer (2.94 Å) Pr–B bond lengths. Both Pr–C bond lengths are 2.63 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Pr3+ and one C3- atom. The B–C bond length is 1.50 Å. C3- is bonded to five Pr3+ and one B3- atom to form distorted edge-sharing CPr5B octahedra.

Publication Date:
Other Number(s):
mp-1078268
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2BC; B-C-Pr
OSTI Identifier:
1757892
DOI:
https://doi.org/10.17188/1757892

Citation Formats

The Materials Project. Materials Data on Pr2BC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757892.
The Materials Project. Materials Data on Pr2BC by Materials Project. United States. doi:https://doi.org/10.17188/1757892
The Materials Project. 2020. "Materials Data on Pr2BC by Materials Project". United States. doi:https://doi.org/10.17188/1757892. https://www.osti.gov/servlets/purl/1757892. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757892,
title = {Materials Data on Pr2BC by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2BC crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Pr2BC sheet oriented in the (2, 0, -1) direction. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 3-coordinate geometry to three equivalent C3- atoms. There are one shorter (2.48 Å) and two longer (2.60 Å) Pr–C bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to four equivalent B3- and two equivalent C3- atoms. There are two shorter (2.74 Å) and two longer (2.94 Å) Pr–B bond lengths. Both Pr–C bond lengths are 2.63 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Pr3+ and one C3- atom. The B–C bond length is 1.50 Å. C3- is bonded to five Pr3+ and one B3- atom to form distorted edge-sharing CPr5B octahedra.},
doi = {10.17188/1757892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}