Materials Data on Nd(In2Pd)2 by Materials Project

doi:10.17188/1741499

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

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Abstract

NdPd2In4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.44 Å) and two longer (3.56 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.21–3.75 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.36 Å) and two longer (3.45 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.25–3.65 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pd and eleven In atoms. There are a spread of Nd–Pd bond distances ranging from 3.44–3.91 Å. There are a spread of Nd–In bond distances ranging from 3.21–3.81 Å. In the fourth Nd site, Nd is bonded in a 8-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.32 Å) and two longer (3.36 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.24–3.67 Å. In the fifth Ndmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1202976

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; Nd(In2Pd)2; In-Nd-Pd

OSTI Identifier:: 1741499

DOI:: https://doi.org/10.17188/1741499

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                    The Materials Project. Materials Data on Nd(In2Pd)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1741499.

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                    The Materials Project. Materials Data on Nd(In2Pd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741499

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                    The Materials Project. 2019.  
"Materials Data on Nd(In2Pd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741499.  https://www.osti.gov/servlets/purl/1741499. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1741499,

  title        = {Materials Data on Nd(In2Pd)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdPd2In4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.44 Å) and two longer (3.56 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.21–3.75 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.36 Å) and two longer (3.45 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.25–3.65 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pd and eleven In atoms. There are a spread of Nd–Pd bond distances ranging from 3.44–3.91 Å. There are a spread of Nd–In bond distances ranging from 3.21–3.81 Å. In the fourth Nd site, Nd is bonded in a 8-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.32 Å) and two longer (3.36 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.24–3.67 Å. In the fifth Nd site, Nd is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.36 Å) and two longer (3.50 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.23–3.54 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Nd 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 Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.84 Å. In the third Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.87 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to three Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.86 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.97 Å. In the sixth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.90 Å. In the seventh Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.73–2.83 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.93 Å. In the ninth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.93 Å. In the tenth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Nd 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 Nd and four Pd atoms. In the second In site, In is bonded in a 2-coordinate geometry to four Nd and two Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to two Nd and four Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Nd and five Pd atoms. In the fifth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two Nd and five Pd atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to three Nd and four Pd atoms. In the tenth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the eleventh In site, In is bonded in a 12-coordinate geometry to four Nd and two Pd atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to three Nd and four Pd atoms. In the thirteenth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the fourteenth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the fifteenth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms. In the sixteenth In site, In is bonded in a 4-coordinate geometry to three Nd and four Pd atoms. In the seventeenth In site, In is bonded in a 5-coordinate geometry to one Nd and five Pd atoms. In the eighteenth In site, In is bonded in a 12-coordinate geometry to three Nd and four Pd atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to one Nd and three Pd atoms. In the twentieth In site, In is bonded in a 3-coordinate geometry to three Nd and three Pd atoms.},

  doi          = {10.17188/1741499},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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