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Title: Materials Data on CaDyMnSnO6 by Materials Project

Abstract

CaDyMnSnO6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.76 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.80 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Mn–O bond distances ranging from 1.96–2.20 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Sn–O bond distances ranging from 2.02–2.18 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom to form distorted corner-sharing OCaDyMnSn trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom. In the third O2- site, O2- is bondedmore » in a 5-coordinate geometry to two equivalent Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Dy3+, one Mn3+, and one Sn4+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Dy3+, one Mn3+, and one Sn4+ atom. In the sixth O2- site, O2- is bonded to one Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom to form distorted corner-sharing OCaDyMnSn tetrahedra.« less

Publication Date:
Other Number(s):
mp-706325
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; CaDyMnSnO6; Ca-Dy-Mn-O-Sn
OSTI Identifier:
1286164
DOI:
https://doi.org/10.17188/1286164

Citation Formats

The Materials Project. Materials Data on CaDyMnSnO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286164.
The Materials Project. Materials Data on CaDyMnSnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1286164
The Materials Project. 2020. "Materials Data on CaDyMnSnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1286164. https://www.osti.gov/servlets/purl/1286164. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1286164,
title = {Materials Data on CaDyMnSnO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaDyMnSnO6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.76 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.80 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Mn–O bond distances ranging from 1.96–2.20 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Sn–O bond distances ranging from 2.02–2.18 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom to form distorted corner-sharing OCaDyMnSn trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Dy3+, one Mn3+, and one Sn4+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Dy3+, one Mn3+, and one Sn4+ atom. In the sixth O2- site, O2- is bonded to one Ca2+, one Dy3+, one Mn3+, and one Sn4+ atom to form distorted corner-sharing OCaDyMnSn tetrahedra.},
doi = {10.17188/1286164},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}