Materials Data on La4C2Cl5 by Materials Project

doi:10.17188/1275190

Title: Materials Data on La4C2Cl5 by Materials Project

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Abstract

La4C2Cl5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one C+3.50- and six equivalent Cl1- atoms. The La–C bond length is 2.30 Å. There are four shorter (2.95 Å) and two longer (3.36 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent C+3.50- and four Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing LaC4Cl4 hexagonal bipyramids. All La–C bond lengths are 2.71 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) La–Cl bond lengths. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-569637

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; La4C2Cl5; C-Cl-La

OSTI Identifier:: 1275190

DOI:: https://doi.org/10.17188/1275190

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                    The Materials Project. Materials Data on La4C2Cl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275190.

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                    The Materials Project. Materials Data on La4C2Cl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275190

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                    The Materials Project. 2020.  
"Materials Data on La4C2Cl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275190.  https://www.osti.gov/servlets/purl/1275190. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1275190,

  title        = {Materials Data on La4C2Cl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La4C2Cl5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one C+3.50- and six equivalent Cl1- atoms. The La–C bond length is 2.30 Å. There are four shorter (2.95 Å) and two longer (3.36 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent C+3.50- and four Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing LaC4Cl4 hexagonal bipyramids. All La–C bond lengths are 2.71 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) La–Cl bond lengths. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.},

  doi          = {10.17188/1275190},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1275190

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