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

Title: Materials Data on CaIn4Pd by Materials Project

Abstract

CaPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Ca–Pd bond lengths are 3.34 Å. There are a spread of Ca–In bond distances ranging from 3.27–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Ca and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ca, three equivalent Pd, and one In atom. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a distorted linear geometry to one Ca, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Ca and six In atoms.

Publication Date:
Other Number(s):
mp-20108
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; CaIn4Pd; Ca-In-Pd
OSTI Identifier:
1195255
DOI:
https://doi.org/10.17188/1195255

Citation Formats

The Materials Project. Materials Data on CaIn4Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195255.
The Materials Project. Materials Data on CaIn4Pd by Materials Project. United States. doi:https://doi.org/10.17188/1195255
The Materials Project. 2020. "Materials Data on CaIn4Pd by Materials Project". United States. doi:https://doi.org/10.17188/1195255. https://www.osti.gov/servlets/purl/1195255. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195255,
title = {Materials Data on CaIn4Pd by Materials Project},
author = {The Materials Project},
abstractNote = {CaPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Ca–Pd bond lengths are 3.34 Å. There are a spread of Ca–In bond distances ranging from 3.27–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Ca and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ca, three equivalent Pd, and one In atom. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a distorted linear geometry to one Ca, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Ca and six In atoms.},
doi = {10.17188/1195255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}