Materials Data on La2Se2O by Materials Project

doi:10.17188/1288545

Title: Materials Data on La2Se2O by Materials Project

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Abstract

La2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of La–Se bond distances ranging from 3.16–3.31 Å. There are one shorter (2.42 Å) and two longer (2.45 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing LaSe5O octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of La–Se bond distances ranging from 2.98–3.07 Å. The La–O bond length is 2.37 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-752418

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; La2Se2O; La-O-Se

OSTI Identifier:: 1288545

DOI:: https://doi.org/10.17188/1288545

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                    The Materials Project. Materials Data on La2Se2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288545.

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                    The Materials Project. Materials Data on La2Se2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1288545

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                    The Materials Project. 2020.  
"Materials Data on La2Se2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1288545.  https://www.osti.gov/servlets/purl/1288545. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1288545,

  title        = {Materials Data on La2Se2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of La–Se bond distances ranging from 3.16–3.31 Å. There are one shorter (2.42 Å) and two longer (2.45 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing LaSe5O octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of La–Se bond distances ranging from 2.98–3.07 Å. The La–O bond length is 2.37 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},

  doi          = {10.17188/1288545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288545

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