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Title: Materials Data on BaSr2Y2Cu2PtO10 by Materials Project

Abstract

BaSr2Y2PtCu2O10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.50–3.24 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.88 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.25–2.48 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.25–2.52 Å. Pt6+ is bonded tomore » six O2- atoms to form PtO6 octahedra that share faces with two YO7 pentagonal bipyramids. There are one shorter (2.02 Å) and five longer (2.06 Å) Pt–O bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.54 Å. In the second Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ba2+, two Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 1–71°. In the second O2- site, O2- is bonded to one Ba2+, two Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 1–71°. In the third O2- site, O2- is bonded to one Ba2+, two equivalent Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form distorted OBaSr2YCuPt octahedra that share corners with eleven OBaSr2YCuPt octahedra, edges with two equivalent OBa2SrYCuPt octahedra, and faces with four OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the fourth O2- site, O2- is bonded to two equivalent Ba2+, one Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBa2SrYCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Y3+, and one Cu1+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, two Y3+, and one Cu1+ atom.« less

Publication Date:
Other Number(s):
mp-1227763
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaSr2Y2Cu2PtO10; Ba-Cu-O-Pt-Sr-Y
OSTI Identifier:
1678981
DOI:
https://doi.org/10.17188/1678981

Citation Formats

The Materials Project. Materials Data on BaSr2Y2Cu2PtO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678981.
The Materials Project. Materials Data on BaSr2Y2Cu2PtO10 by Materials Project. United States. doi:https://doi.org/10.17188/1678981
The Materials Project. 2020. "Materials Data on BaSr2Y2Cu2PtO10 by Materials Project". United States. doi:https://doi.org/10.17188/1678981. https://www.osti.gov/servlets/purl/1678981. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1678981,
title = {Materials Data on BaSr2Y2Cu2PtO10 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSr2Y2PtCu2O10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.50–3.24 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.88 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.25–2.48 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.25–2.52 Å. Pt6+ is bonded to six O2- atoms to form PtO6 octahedra that share faces with two YO7 pentagonal bipyramids. There are one shorter (2.02 Å) and five longer (2.06 Å) Pt–O bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.54 Å. In the second Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ba2+, two Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 1–71°. In the second O2- site, O2- is bonded to one Ba2+, two Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 1–71°. In the third O2- site, O2- is bonded to one Ba2+, two equivalent Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form distorted OBaSr2YCuPt octahedra that share corners with eleven OBaSr2YCuPt octahedra, edges with two equivalent OBa2SrYCuPt octahedra, and faces with four OBaSr2YCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the fourth O2- site, O2- is bonded to two equivalent Ba2+, one Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBa2SrYCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Y3+, and one Cu1+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, two Y3+, and one Cu1+ atom.},
doi = {10.17188/1678981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}