Materials Data on Ce10(NiSn)3 by Materials Project

doi:10.17188/1753416

Title: Materials Data on Ce10(NiSn)3 by Materials Project

Dataset
Other Related Research

Abstract

Ce10(NiSn)3 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to two Ni and three Sn atoms. There are one shorter (2.79 Å) and one longer (2.91 Å) Ce–Ni bond lengths. There are one shorter (3.22 Å) and two longer (3.31 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce, three Ni, and two equivalent Sn atoms. Both Ce–Ce bond lengths are 2.94 Å. There are two shorter (2.94 Å) and one longer (3.44 Å) Ce–Ni bond lengths. Both Ce–Sn bond lengths are 3.24 Å. In the third Ce site, Ce is bonded to two equivalent Ni and three Sn atoms to form a mixture of distorted corner and face-sharing CeNi2Sn3 trigonal bipyramids. Both Ce–Ni bond lengths are 2.80 Å. There are one shorter (3.15 Å) and two longer (3.28 Å) Ce–Sn bond lengths. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Ce, three Ni, and three Sn atoms. There are a spread of Ce–Ni bond distances ranging from 2.84–3.46 Å. Theremore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1227879

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ce10(NiSn)3; Ce-Ni-Sn

OSTI Identifier:: 1753416

DOI:: https://doi.org/10.17188/1753416

Citation Formats


                    The Materials Project. Materials Data on Ce10(NiSn)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753416.

Copy to clipboard


                    The Materials Project. Materials Data on Ce10(NiSn)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753416

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ce10(NiSn)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753416.  https://www.osti.gov/servlets/purl/1753416. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1753416,

  title        = {Materials Data on Ce10(NiSn)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce10(NiSn)3 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to two Ni and three Sn atoms. There are one shorter (2.79 Å) and one longer (2.91 Å) Ce–Ni bond lengths. There are one shorter (3.22 Å) and two longer (3.31 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce, three Ni, and two equivalent Sn atoms. Both Ce–Ce bond lengths are 2.94 Å. There are two shorter (2.94 Å) and one longer (3.44 Å) Ce–Ni bond lengths. Both Ce–Sn bond lengths are 3.24 Å. In the third Ce site, Ce is bonded to two equivalent Ni and three Sn atoms to form a mixture of distorted corner and face-sharing CeNi2Sn3 trigonal bipyramids. Both Ce–Ni bond lengths are 2.80 Å. There are one shorter (3.15 Å) and two longer (3.28 Å) Ce–Sn bond lengths. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to two equivalent Ce, three Ni, and three Sn atoms. There are a spread of Ce–Ni bond distances ranging from 2.84–3.46 Å. There are two shorter (3.25 Å) and one longer (3.50 Å) Ce–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. The Ni–Ni bond length is 2.70 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to eight Ce and one Sn atom. The Ni–Sn bond length is 2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. In the second Sn site, Sn is bonded in a distorted q6 geometry to ten Ce atoms.},

  doi          = {10.17188/1753416},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1753416

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Nd(NiSn)2 by Materials Project

Dataset The Materials Project

Nd(NiSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Ni and eight Sn atoms. There are four shorter (3.31 Å) and four longer (3.43 Å) Nd–Ni bond lengths. There are four shorter (3.37 Å) and four longer (3.44 Å) Nd–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are one shorter (2.51 Å) and four longer (2.58 Å) Ni–Sn bond lengths. In the second Ni site, Nimore »« less
Materials Data on La(NiSn)2 by Materials Project

Dataset The Materials Project

LaNi2Sn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All La–Ni bond lengths are 3.45 Å. All La–Sn bond lengths are 3.48 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.53 Å. Sn is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.90 Å.
Materials Data on Ce(NiSn)2 by Materials Project

Dataset The Materials Project

CeNi2Sn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Ce–Ni bond lengths are 3.42 Å. All Ce–Sn bond lengths are 3.44 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.51 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.83 Å.
Materials Data on Pr(NiSn)2 by Materials Project

Dataset The Materials Project

Pr(NiSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Pr–Ni bond lengths are 3.45 Å. All Pr–Sn bond lengths are 3.45 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.52 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.87 Å.
Materials Data on NiSn by Materials Project

Dataset The Materials Project

NiSn crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four Ni and seven Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.68–3.03 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.86 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Sn atoms. There are two shorter (2.63 Å) and one longer (2.82 Å) Ni–Ni bond lengths. There are a spread of Ni–Snmore »« less

Similar Records