Materials Data on K3As2O11 by Materials Project

doi:10.17188/1732924

Title: Materials Data on K3As2O11 by Materials Project

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Abstract

K3As2O11 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.70–3.36 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.55–3.24 Å. In the third K site, K is bonded in a 2-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.58–3.30 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.65–1.85 Å. In the second As site, As is bonded to four O atoms to form distorted edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.66–1.87 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one As atom. In the second O site, O is bondedmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1200450

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; K3As2O11; As-K-O

OSTI Identifier:: 1732924

DOI:: https://doi.org/10.17188/1732924

Citation Formats


                    The Materials Project. Materials Data on K3As2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732924.

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                    The Materials Project. Materials Data on K3As2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732924

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                    The Materials Project. 2020.  
"Materials Data on K3As2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732924.  https://www.osti.gov/servlets/purl/1732924. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1732924,

  title        = {Materials Data on K3As2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3As2O11 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.70–3.36 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.55–3.24 Å. In the third K site, K is bonded in a 2-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.58–3.30 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.65–1.85 Å. In the second As site, As is bonded to four O atoms to form distorted edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.66–1.87 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one As atom. In the second O site, O is bonded in a 2-coordinate geometry to two K and one As atom. In the third O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a distorted L-shaped geometry to two K and two As atoms. In the fifth O site, O is bonded in a T-shaped geometry to three K atoms. In the sixth O site, O is bonded in a distorted L-shaped geometry to two K and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two K and two As atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.25 Å. In the ninth O site, O is bonded in a single-bond geometry to one K and one As atom. In the tenth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the eleventh O site, O is bonded in a distorted T-shaped geometry to two K and one As atom.},

  doi          = {10.17188/1732924},

  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/10.17188/1732924

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