Materials Data on LaCO4 by Materials Project

doi:10.17188/1662402

Title: Materials Data on LaCO4 by Materials Project

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Abstract

LaCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.48–2.77 Å. In the second La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.49–2.75 Å. In the third La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.47–2.65 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometrymore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1202759

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; LaCO4; C-La-O

OSTI Identifier:: 1662402

DOI:: https://doi.org/10.17188/1662402

Citation Formats


                    The Materials Project. Materials Data on LaCO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662402.

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                    The Materials Project. Materials Data on LaCO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662402

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                    The Materials Project. 2020.  
"Materials Data on LaCO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662402.  https://www.osti.gov/servlets/purl/1662402. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1662402,

  title        = {Materials Data on LaCO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.48–2.77 Å. In the second La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.49–2.75 Å. In the third La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.47–2.65 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent La and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent La and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the sixteenth O site, O is bonded in a trigonal non-coplanar geometry to three La atoms. In the seventeenth O site, O is bonded in a trigonal non-coplanar geometry to three La atoms.},

  doi          = {10.17188/1662402},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662402

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