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Title: Materials Data on Pr(In2Pd)2 by Materials Project

Abstract

PrPd2In4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.45 Å) and two longer (3.57 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.22–3.76 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.27–3.65 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to six Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.45–3.92 Å. There are a spread of Pr–In bond distances ranging from 3.22–3.82 Å. In the fourth Pr site, Pr is bonded in a 8-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.34 Å) and two longer (3.39 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.26–3.67 Å. In the fifth Prmore » site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.37 Å) and two longer (3.53 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.24–3.55 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.87 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.85 Å. In the third Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.88 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to three Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.87 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.98 Å. In the sixth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.91 Å. In the seventh Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.84 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.95 Å. In the ninth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.94 Å. In the tenth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. There are twenty inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two Pr and four Pd atoms. In the second In site, In is bonded in a 2-coordinate geometry to four Pr and two Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to two Pr and four Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the fifth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the tenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the eleventh In site, In is bonded in a 12-coordinate geometry to four Pr and two Pd atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the thirteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the fourteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the fifteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the sixteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the seventeenth In site, In is bonded in a 5-coordinate geometry to one Pr and five Pd atoms. In the eighteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to one Pr and three Pd atoms. In the twentieth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms.« less

Publication Date:
Other Number(s):
mp-1200326
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; Pr(In2Pd)2; In-Pd-Pr
OSTI Identifier:
1682637
DOI:
https://doi.org/10.17188/1682637

Citation Formats

The Materials Project. Materials Data on Pr(In2Pd)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682637.
The Materials Project. Materials Data on Pr(In2Pd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1682637
The Materials Project. 2019. "Materials Data on Pr(In2Pd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1682637. https://www.osti.gov/servlets/purl/1682637. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682637,
title = {Materials Data on Pr(In2Pd)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrPd2In4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.45 Å) and two longer (3.57 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.22–3.76 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.27–3.65 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to six Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.45–3.92 Å. There are a spread of Pr–In bond distances ranging from 3.22–3.82 Å. In the fourth Pr site, Pr is bonded in a 8-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.34 Å) and two longer (3.39 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.26–3.67 Å. In the fifth Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.37 Å) and two longer (3.53 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.24–3.55 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.87 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.85 Å. In the third Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.88 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to three Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.87 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.98 Å. In the sixth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.91 Å. In the seventh Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.84 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.95 Å. In the ninth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.94 Å. In the tenth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. There are twenty inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two Pr and four Pd atoms. In the second In site, In is bonded in a 2-coordinate geometry to four Pr and two Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to two Pr and four Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the fifth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the tenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the eleventh In site, In is bonded in a 12-coordinate geometry to four Pr and two Pd atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the thirteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the fourteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the fifteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the sixteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the seventeenth In site, In is bonded in a 5-coordinate geometry to one Pr and five Pd atoms. In the eighteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to one Pr and three Pd atoms. In the twentieth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms.},
doi = {10.17188/1682637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}