Materials Data on La3DyC8 by Materials Project

doi:10.17188/1679383

Title: Materials Data on La3DyC8 by Materials Project

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Abstract

DyLa3C8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are two shorter (2.51 Å) and eight longer (2.83 Å) Dy–C bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.59–2.85 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.66 Å) and eight longer (2.83 Å) La–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to one Dy3+, 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 five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded to five La3+ and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In themore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1223073

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; La3DyC8; C-Dy-La

OSTI Identifier:: 1679383

DOI:: https://doi.org/10.17188/1679383

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                    The Materials Project. Materials Data on La3DyC8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679383.

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                    The Materials Project. Materials Data on La3DyC8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679383

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                    The Materials Project. 2020.  
"Materials Data on La3DyC8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679383.  https://www.osti.gov/servlets/purl/1679383. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679383,

  title        = {Materials Data on La3DyC8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyLa3C8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are two shorter (2.51 Å) and eight longer (2.83 Å) Dy–C bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.59–2.85 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.66 Å) and eight longer (2.83 Å) La–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to one Dy3+, 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 five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded to five La3+ and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In the fourth C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to four equivalent Dy3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.},

  doi          = {10.17188/1679383},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1679383

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