Materials Data on Er2Cu(GeO3)4 by Materials Project

doi:10.17188/1191545

Title: Materials Data on Er2Cu(GeO3)4 by Materials Project

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Abstract

Er2Cu(GeO3)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with six GeO4 tetrahedra, edges with two equivalent ErO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.23–2.55 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.98 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ErO7 pentagonal bipyramids and corners with two equivalent GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent ErO7 pentagonal bipyramids, corners with two equivalent GeO4 tetrahedra, and an edgeedge with one ErO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to twomore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-16057

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; Er2Cu(GeO3)4; Cu-Er-Ge-O

OSTI Identifier:: 1191545

DOI:: https://doi.org/10.17188/1191545

Citation Formats


                    The Materials Project. Materials Data on Er2Cu(GeO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191545.

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                    The Materials Project. Materials Data on Er2Cu(GeO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191545

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                    The Materials Project. 2020.  
"Materials Data on Er2Cu(GeO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191545.  https://www.osti.gov/servlets/purl/1191545. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1191545,

  title        = {Materials Data on Er2Cu(GeO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Cu(GeO3)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with six GeO4 tetrahedra, edges with two equivalent ErO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.23–2.55 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.98 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ErO7 pentagonal bipyramids and corners with two equivalent GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent ErO7 pentagonal bipyramids, corners with two equivalent GeO4 tetrahedra, and an edgeedge with one ErO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+, one Cu2+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+, one Cu2+, and one Ge4+ atom.},

  doi          = {10.17188/1191545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191545

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