Materials Data on La2CN3Cl by Materials Project

doi:10.17188/1274030

Title: Materials Data on La2CN3Cl by Materials Project

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Abstract

La2CN3Cl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 2-coordinate geometry to four N3- and four equivalent Cl1- atoms. There are two shorter (2.35 Å) and two longer (2.64 Å) La–N bond lengths. All La–Cl bond lengths are 3.29 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to six N3- and one Cl1- atom. There are two shorter (2.39 Å) and four longer (2.64 Å) La–N bond lengths. The La–Cl bond length is 3.24 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing NLa4 tetrahedra. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three La3+ and one C4+ atom. Cl1- is bonded in a 5-coordinate geometry to five La3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-567756

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; La2CN3Cl; C-Cl-La-N

OSTI Identifier:: 1274030

DOI:: https://doi.org/10.17188/1274030

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                    The Materials Project. Materials Data on La2CN3Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274030.

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                    The Materials Project. Materials Data on La2CN3Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1274030

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                    The Materials Project. 2020.  
"Materials Data on La2CN3Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1274030.  https://www.osti.gov/servlets/purl/1274030. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274030,

  title        = {Materials Data on La2CN3Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2CN3Cl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 2-coordinate geometry to four N3- and four equivalent Cl1- atoms. There are two shorter (2.35 Å) and two longer (2.64 Å) La–N bond lengths. All La–Cl bond lengths are 3.29 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to six N3- and one Cl1- atom. There are two shorter (2.39 Å) and four longer (2.64 Å) La–N bond lengths. The La–Cl bond length is 3.24 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing NLa4 tetrahedra. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three La3+ and one C4+ atom. Cl1- is bonded in a 5-coordinate geometry to five La3+ atoms.},

  doi          = {10.17188/1274030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274030

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