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Title: Materials Data on Y2Co17C by Materials Project

Abstract

Y2Co17C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y is bonded in a distorted single-bond geometry to fourteen Co and one C atom. There are a spread of Y–Co bond distances ranging from 2.95–3.28 Å. The Y–C bond length is 2.49 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.67 Å. In the second Co site, Co is bonded in a single-bond geometry to seven Co and one C atom. There are a spread of Co–Co bond distances ranging from 2.42–2.53 Å. The Co–C bond length is 1.84 Å. In the third Co site, Co is bonded to three equivalent Y and nine Co atoms to form distorted CoY3Co9 cuboctahedra that share corners with seventeen CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with seven CoY3Co9 cuboctahedra, faces with fourteen CoY3Co9 cuboctahedra, and a faceface with one CY2Co4 octahedra. The corner-sharing octahedra tilt angles range from 66–70°. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the fourth Co site, Co is bondedmore » in a single-bond geometry to eight Co and one C atom. There are two shorter (2.38 Å) and two longer (2.39 Å) Co–Co bond lengths. The Co–C bond length is 1.84 Å. In the fifth Co site, Co is bonded to two equivalent Y and ten Co atoms to form distorted CoY2Co10 cuboctahedra that share corners with sixteen CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with four CoY3Co9 cuboctahedra, an edgeedge with one CY2Co4 octahedra, and faces with fifteen CoY3Co9 cuboctahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Co–Co bond distances ranging from 2.37–2.40 Å. In the sixth Co site, Co is bonded to two equivalent Y and ten Co atoms to form CoY2Co10 cuboctahedra that share corners with twelve CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with eight CoY2Co10 cuboctahedra, and faces with twelve CoY3Co9 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the seventh Co site, Co is bonded to two equivalent Y and ten Co atoms to form distorted CoY2Co10 cuboctahedra that share corners with eighteen CoY3Co9 cuboctahedra, edges with six CoY2Co10 cuboctahedra, faces with fourteen CoY3Co9 cuboctahedra, and faces with two equivalent CY2Co4 octahedra. C is bonded to two equivalent Y and four Co atoms to form CY2Co4 octahedra that share corners with eighteen CoY2Co10 cuboctahedra, edges with four equivalent CoY2Co10 cuboctahedra, and faces with eight CoY2Co10 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1216137
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; Y2Co17C; C-Co-Y
OSTI Identifier:
1729966
DOI:
https://doi.org/10.17188/1729966

Citation Formats

The Materials Project. Materials Data on Y2Co17C by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729966.
The Materials Project. Materials Data on Y2Co17C by Materials Project. United States. doi:https://doi.org/10.17188/1729966
The Materials Project. 2019. "Materials Data on Y2Co17C by Materials Project". United States. doi:https://doi.org/10.17188/1729966. https://www.osti.gov/servlets/purl/1729966. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729966,
title = {Materials Data on Y2Co17C by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Co17C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y is bonded in a distorted single-bond geometry to fourteen Co and one C atom. There are a spread of Y–Co bond distances ranging from 2.95–3.28 Å. The Y–C bond length is 2.49 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.67 Å. In the second Co site, Co is bonded in a single-bond geometry to seven Co and one C atom. There are a spread of Co–Co bond distances ranging from 2.42–2.53 Å. The Co–C bond length is 1.84 Å. In the third Co site, Co is bonded to three equivalent Y and nine Co atoms to form distorted CoY3Co9 cuboctahedra that share corners with seventeen CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with seven CoY3Co9 cuboctahedra, faces with fourteen CoY3Co9 cuboctahedra, and a faceface with one CY2Co4 octahedra. The corner-sharing octahedra tilt angles range from 66–70°. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the fourth Co site, Co is bonded in a single-bond geometry to eight Co and one C atom. There are two shorter (2.38 Å) and two longer (2.39 Å) Co–Co bond lengths. The Co–C bond length is 1.84 Å. In the fifth Co site, Co is bonded to two equivalent Y and ten Co atoms to form distorted CoY2Co10 cuboctahedra that share corners with sixteen CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with four CoY3Co9 cuboctahedra, an edgeedge with one CY2Co4 octahedra, and faces with fifteen CoY3Co9 cuboctahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Co–Co bond distances ranging from 2.37–2.40 Å. In the sixth Co site, Co is bonded to two equivalent Y and ten Co atoms to form CoY2Co10 cuboctahedra that share corners with twelve CoY3Co9 cuboctahedra, corners with two equivalent CY2Co4 octahedra, edges with eight CoY2Co10 cuboctahedra, and faces with twelve CoY3Co9 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the seventh Co site, Co is bonded to two equivalent Y and ten Co atoms to form distorted CoY2Co10 cuboctahedra that share corners with eighteen CoY3Co9 cuboctahedra, edges with six CoY2Co10 cuboctahedra, faces with fourteen CoY3Co9 cuboctahedra, and faces with two equivalent CY2Co4 octahedra. C is bonded to two equivalent Y and four Co atoms to form CY2Co4 octahedra that share corners with eighteen CoY2Co10 cuboctahedra, edges with four equivalent CoY2Co10 cuboctahedra, and faces with eight CoY2Co10 cuboctahedra.},
doi = {10.17188/1729966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}