Materials Data on SrDy2CuO5 by Materials Project

doi:10.17188/1192629

Title: Materials Data on SrDy2CuO5 by Materials Project

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Abstract

SrDy2CuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.19 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with five DyO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one DyO7 pentagonal bipyramid. There are a spread of Dy–O bond distances ranging from 2.27–2.37 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with four equivalent DyO7 pentagonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, a faceface with one DyO7 pentagonal bipyramid, and a faceface with one CuO5 square pyramid. There are a spread of Dy–O bond distances ranging from 2.32–2.35 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent DyO7 pentagonal bipyramids, edges with three DyO7 pentagonal bipyramids, and a faceface withmore »« less

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-17687

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; SrDy2CuO5; Cu-Dy-O-Sr

OSTI Identifier:: 1192629

DOI:: https://doi.org/10.17188/1192629

Citation Formats


                    The Materials Project. Materials Data on SrDy2CuO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192629.

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                    The Materials Project. Materials Data on SrDy2CuO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192629

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                    The Materials Project. 2020.  
"Materials Data on SrDy2CuO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192629.  https://www.osti.gov/servlets/purl/1192629. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1192629,

  title        = {Materials Data on SrDy2CuO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrDy2CuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.19 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with five DyO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one DyO7 pentagonal bipyramid. There are a spread of Dy–O bond distances ranging from 2.27–2.37 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with four equivalent DyO7 pentagonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, a faceface with one DyO7 pentagonal bipyramid, and a faceface with one CuO5 square pyramid. There are a spread of Dy–O bond distances ranging from 2.32–2.35 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent DyO7 pentagonal bipyramids, edges with three DyO7 pentagonal bipyramids, and a faceface with one DyO7 pentagonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.98–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+, two Dy3+, and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OSr3Dy2Cu octahedra. The corner-sharing octahedral tilt angles are 4°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, three Dy3+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, three Dy3+, and one Cu2+ atom.},

  doi          = {10.17188/1192629},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192629

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