Materials Data on Ho3TmMn8 by Materials Project

doi:10.17188/1676657

Title: Materials Data on Ho3TmMn8 by Materials Project

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Abstract

TmHo3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to four Ho and twelve Mn atoms. There are a spread of Tm–Ho bond distances ranging from 3.07–3.23 Å. There are a spread of Tm–Mn bond distances ranging from 2.91–3.16 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Tm, one Ho, and twelve Mn atoms. The Ho–Ho bond length is 3.16 Å. There are a spread of Ho–Mn bond distances ranging from 2.92–3.16 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four Ho and twelve Mn atoms. There are one shorter (3.17 Å) and two longer (3.20 Å) Ho–Ho bond lengths. There are a spread of Ho–Mn bond distances ranging from 2.93–3.13 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to one Tm, three equivalent Ho, and twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.93–3.12 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Tm, threemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1224266

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; Ho3TmMn8; Ho-Mn-Tm

OSTI Identifier:: 1676657

DOI:: https://doi.org/10.17188/1676657

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                    The Materials Project. Materials Data on Ho3TmMn8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676657.

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                    The Materials Project. Materials Data on Ho3TmMn8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676657

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                    The Materials Project. 2019.  
"Materials Data on Ho3TmMn8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676657.  https://www.osti.gov/servlets/purl/1676657. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1676657,

  title        = {Materials Data on Ho3TmMn8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmHo3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to four Ho and twelve Mn atoms. There are a spread of Tm–Ho bond distances ranging from 3.07–3.23 Å. There are a spread of Tm–Mn bond distances ranging from 2.91–3.16 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Tm, one Ho, and twelve Mn atoms. The Ho–Ho bond length is 3.16 Å. There are a spread of Ho–Mn bond distances ranging from 2.92–3.16 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four Ho and twelve Mn atoms. There are one shorter (3.17 Å) and two longer (3.20 Å) Ho–Ho bond lengths. There are a spread of Ho–Mn bond distances ranging from 2.93–3.13 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to one Tm, three equivalent Ho, and twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.93–3.12 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Tm, three equivalent Ho, and six Mn atoms to form MnHo3Tm3Mn6 cuboctahedra that share corners with twelve MnHo4Tm2Mn6 cuboctahedra, edges with six equivalent MnHo3Tm3Mn6 cuboctahedra, and faces with twenty MnHo6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.44–2.66 Å. In the second Mn site, Mn is bonded to six Ho and six Mn atoms to form MnHo6Mn6 cuboctahedra that share corners with twelve MnHo4Tm2Mn6 cuboctahedra, edges with six equivalent MnHo6Mn6 cuboctahedra, and faces with twenty MnHo3Tm3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.69 Å. In the third Mn site, Mn is bonded to two equivalent Tm, four Ho, and six Mn atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with eighteen MnHo3Tm3Mn6 cuboctahedra, edges with six MnHo4Tm2Mn6 cuboctahedra, and faces with eighteen MnHo3Tm3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.56–2.75 Å. In the fourth Mn site, Mn is bonded to two equivalent Tm, four Ho, and six Mn atoms to form MnHo4Tm2Mn6 cuboctahedra that share corners with eighteen MnHo3Tm3Mn6 cuboctahedra, edges with six MnHo4Tm2Mn6 cuboctahedra, and faces with eighteen MnHo3Tm3Mn6 cuboctahedra. In the fifth Mn site, Mn is bonded to one Tm, five Ho, and six Mn atoms to form MnHo5TmMn6 cuboctahedra that share corners with eighteen MnHo3Tm3Mn6 cuboctahedra, edges with six MnHo4Tm2Mn6 cuboctahedra, and faces with eighteen MnHo3Tm3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.56–2.74 Å. In the sixth Mn site, Mn is bonded to one Tm, five Ho, and six Mn atoms to form MnHo5TmMn6 cuboctahedra that share corners with eighteen MnHo3Tm3Mn6 cuboctahedra, edges with six MnHo4Tm2Mn6 cuboctahedra, and faces with eighteen MnHo3Tm3Mn6 cuboctahedra.},

  doi          = {10.17188/1676657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676657

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