Materials Data on Pr2Al19Co6 by Materials Project

doi:10.17188/1277025

Title: Materials Data on Pr2Al19Co6 by Materials Project

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Abstract

Pr2Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.39 Å) and one longer (3.44 Å) Pr–Co bond lengths. There are a spread of Pr–Al bond distances ranging from 3.07–3.30 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.36 Å) and one longer (3.45 Å) Pr–Co bond lengths. There are a spread of Pr–Al bond distances ranging from 3.05–3.40 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to two Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to two Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.41–2.53 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-582996

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; Pr2Al19Co6; Al-Co-Pr

OSTI Identifier:: 1277025

DOI:: https://doi.org/10.17188/1277025

Citation Formats


                    The Materials Project. Materials Data on Pr2Al19Co6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277025.

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                    The Materials Project. Materials Data on Pr2Al19Co6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277025

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                    The Materials Project. 2020.  
"Materials Data on Pr2Al19Co6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277025.  https://www.osti.gov/servlets/purl/1277025. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1277025,

  title        = {Materials Data on Pr2Al19Co6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Co6Al19 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.39 Å) and one longer (3.44 Å) Pr–Co bond lengths. There are a spread of Pr–Al bond distances ranging from 3.07–3.30 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to two Co and thirteen Al atoms. There are one shorter (3.36 Å) and one longer (3.45 Å) Pr–Co bond lengths. There are a spread of Pr–Al bond distances ranging from 3.05–3.40 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to two Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to two Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.41–2.53 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.62 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.67 Å. There are eleven inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to two Pr, three Co, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.04 Å. In the third Al site, Al is bonded in a distorted bent 150 degrees geometry to one Pr, two equivalent Co, and two equivalent Al atoms. Both Al–Al bond lengths are 2.91 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two Pr, two Co, and one Al atom. The Al–Al bond length is 2.60 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Pr, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.90 Å. In the sixth Al site, Al is bonded in a 4-coordinate geometry to one Pr, four Co, and two Al atoms. In the seventh Al site, Al is bonded in a 4-coordinate geometry to one Pr, four Co, and two Al atoms. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two Pr, two Co, and six Al atoms. There are one shorter (2.93 Å) and one longer (2.98 Å) Al–Al bond lengths. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two Pr, two Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.87 Å. In the tenth Al site, Al is bonded in a 3-coordinate geometry to three Co and two Al atoms. In the eleventh Al site, Al is bonded in a distorted bent 150 degrees geometry to one Pr, two equivalent Co, and two equivalent Al atoms.},

  doi          = {10.17188/1277025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1277025

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