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Title: Materials Data on Nd3(Ge3Pt2)2 by Materials Project

Abstract

Nd3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.27–3.30 Å. There are six shorter (3.11 Å) and two longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.35 Å) and two longer (3.39 Å) Nd–Pt bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.28–3.47 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.36–3.44 Å. There are a spread of Nd–Ge bond distances ranging from 3.25–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.75 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometrymore » to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.54 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.73 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.55 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Pt atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to four Nd and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four Pt atoms.« less

Publication Date:
Other Number(s):
mp-1210622
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; Nd3(Ge3Pt2)2; Ge-Nd-Pt
OSTI Identifier:
1652448
DOI:
https://doi.org/10.17188/1652448

Citation Formats

The Materials Project. Materials Data on Nd3(Ge3Pt2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652448.
The Materials Project. Materials Data on Nd3(Ge3Pt2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652448
The Materials Project. 2020. "Materials Data on Nd3(Ge3Pt2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652448. https://www.osti.gov/servlets/purl/1652448. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652448,
title = {Materials Data on Nd3(Ge3Pt2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.27–3.30 Å. There are six shorter (3.11 Å) and two longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.35 Å) and two longer (3.39 Å) Nd–Pt bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.28–3.47 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.36–3.44 Å. There are a spread of Nd–Ge bond distances ranging from 3.25–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.75 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.54 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.73 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.55 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Pt atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to four Nd and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four Pt atoms.},
doi = {10.17188/1652448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}