Materials Data on CaDyMnSnO6 by Materials Project

doi:10.17188/1286164

Title: Materials Data on CaDyMnSnO6 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-706325

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; CaDyMnSnO6; Ca-Dy-Mn-O-Sn

OSTI Identifier:: 1286164

DOI:: https://doi.org/10.17188/1286164

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                    The Materials Project. Materials Data on CaDyMnSnO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286164.

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                    The Materials Project. Materials Data on CaDyMnSnO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286164

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1286164

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