Materials Data on Ho2H4CO7 by Materials Project

doi:10.17188/1285157

Title: Materials Data on Ho2H4CO7 by Materials Project

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Abstract

Ho2CH4O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.52 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There aremore »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1285157

Report Number(s):: mp-697339

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Ho2H4CO7; C-H-Ho-O

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                    The Materials Project. Materials Data on Ho2H4CO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285157.

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                    The Materials Project. Materials Data on Ho2H4CO7 by Materials Project.  United States.  https://doi.org/10.17188/1285157

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                    The Materials Project. 2020.  
        "Materials Data on Ho2H4CO7 by Materials Project".  United States.  https://doi.org/10.17188/1285157.  https://www.osti.gov/servlets/purl/1285157.

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@article{osti_1285157,

  title        = {Materials Data on Ho2H4CO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2CH4O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.52 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ho3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Ho3+ and one C4+ atom.},

  doi          = {10.17188/1285157},

  url          = {https://www.osti.gov/biblio/1285157},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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