Materials Data on Tm2FeC4 by Materials Project

doi:10.17188/1286549

Title: Materials Data on Tm2FeC4 by Materials Project

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Abstract

Tm2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Tm–C bond distances ranging from 2.35–2.61 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CTm5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.91 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Tm3+, two equivalent Fe2+, and one C2- atom. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded to five equivalent Tm3+ and one C2- atom to form distorted CTm5C octahedra that share corners with six equivalent CTm5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CTm5C octahedra. The corner-sharing octahedra tilt angles range from 7–54°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7085

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; Tm2FeC4; C-Fe-Tm

OSTI Identifier:: 1286549

DOI:: https://doi.org/10.17188/1286549

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                    The Materials Project. Materials Data on Tm2FeC4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286549.

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                    The Materials Project. Materials Data on Tm2FeC4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286549

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                    The Materials Project. 2020.  
"Materials Data on Tm2FeC4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286549.  https://www.osti.gov/servlets/purl/1286549. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1286549,

  title        = {Materials Data on Tm2FeC4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Tm–C bond distances ranging from 2.35–2.61 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CTm5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.91 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Tm3+, two equivalent Fe2+, and one C2- atom. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded to five equivalent Tm3+ and one C2- atom to form distorted CTm5C octahedra that share corners with six equivalent CTm5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CTm5C octahedra. The corner-sharing octahedra tilt angles range from 7–54°.},

  doi          = {10.17188/1286549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286549

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