Materials Data on LaPrC4 by Materials Project

doi:10.17188/1722244

Title: Materials Data on LaPrC4 by Materials Project

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Abstract

PrLaC4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.63 Å) and eight longer (2.84 Å) Pr–C bond lengths. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.63 Å) and eight longer (2.84 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Pr3+, four equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1222761

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; LaPrC4; C-La-Pr

OSTI Identifier:: 1722244

DOI:: https://doi.org/10.17188/1722244

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                    The Materials Project. Materials Data on LaPrC4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722244.

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                    The Materials Project. Materials Data on LaPrC4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722244

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                    The Materials Project. 2020.  
"Materials Data on LaPrC4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722244.  https://www.osti.gov/servlets/purl/1722244. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722244,

  title        = {Materials Data on LaPrC4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrLaC4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.63 Å) and eight longer (2.84 Å) Pr–C bond lengths. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.63 Å) and eight longer (2.84 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Pr3+, four equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.},

  doi          = {10.17188/1722244},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722244

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