Materials Data on Dy2SiO5 by Materials Project

doi:10.17188/1288536

Title: Materials Data on Dy2SiO5 by Materials Project

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Abstract

Dy2SiO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.67 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 hexagonal pyramids that share corners with two equivalent SiO4 tetrahedra, edges with six equivalent DyO7 hexagonal pyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.23–2.54 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO7 hexagonal pyramids and an edgeedge with one DyO7 hexagonal pyramid. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ andmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-752405

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; Dy2SiO5; Dy-O-Si

OSTI Identifier:: 1288536

DOI:: https://doi.org/10.17188/1288536

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                    The Materials Project. Materials Data on Dy2SiO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288536.

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                    The Materials Project. Materials Data on Dy2SiO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288536

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                    The Materials Project. 2020.  
"Materials Data on Dy2SiO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288536.  https://www.osti.gov/servlets/purl/1288536. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1288536,

  title        = {Materials Data on Dy2SiO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2SiO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.67 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 hexagonal pyramids that share corners with two equivalent SiO4 tetrahedra, edges with six equivalent DyO7 hexagonal pyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.23–2.54 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO7 hexagonal pyramids and an edgeedge with one DyO7 hexagonal pyramid. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Dy3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.},

  doi          = {10.17188/1288536},

  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/10.17188/1288536

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