Materials Data on K2GeB4O11 by Materials Project

doi:10.17188/1752687

Title: Materials Data on K2GeB4O11 by Materials Project

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Abstract

K2B4GeO11 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.69–3.22 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.29 Å. There are four inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and a cornercorner with one GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the fourth B site, B is bonded to four O atoms to form BO4 tetrahedra that share amore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1201387

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; K2GeB4O11; B-Ge-K-O

OSTI Identifier:: 1752687

DOI:: https://doi.org/10.17188/1752687

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                    The Materials Project. Materials Data on K2GeB4O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752687.

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                    The Materials Project. Materials Data on K2GeB4O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752687

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                    The Materials Project. 2020.  
"Materials Data on K2GeB4O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752687.  https://www.osti.gov/servlets/purl/1752687. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1752687,

  title        = {Materials Data on K2GeB4O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2B4GeO11 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.69–3.22 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.29 Å. There are four inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and a cornercorner with one GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the fourth B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and a cornercorner with one GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two BO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.79 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K, one B, and one Ge atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two K, one B, and one Ge atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K and two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one B, and one Ge atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two B atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two B atoms. In the seventh O site, O is bonded in a distorted water-like geometry to two K and two B atoms. In the eighth O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one O atom. The O–O bond length is 1.24 Å. In the ninth O site, O is bonded in a 1-coordinate geometry to one K and one O atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to two K, one B, and one Ge atom. In the eleventh O site, O is bonded in a distorted bent 120 degrees geometry to two K and two B atoms.},

  doi          = {10.17188/1752687},

  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/10.17188/1752687

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