Materials Data on Al4Mo by Materials Project

doi:10.17188/1204597

Title: Materials Data on Al4Mo by Materials Project

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Abstract

Al4Mo crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.84 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.85 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Mo atoms. In the second Al site, Al is bonded in a 1-coordinate geometry to four Mo atoms. In the third Al site, Al is bonded in a distorted linear geometry to two Mo and one Al atom. The Al–Al bond length is 2.88 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 3.01 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 2.80 Å. In the sixth Al site, Al is bonded inmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-30180

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; Al4Mo; Al-Mo

OSTI Identifier:: 1204597

DOI:: https://doi.org/10.17188/1204597

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                    The Materials Project. Materials Data on Al4Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204597.

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                    The Materials Project. Materials Data on Al4Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1204597

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                    The Materials Project. 2020.  
"Materials Data on Al4Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1204597.  https://www.osti.gov/servlets/purl/1204597. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204597,

  title        = {Materials Data on Al4Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al4Mo crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.84 Å. In the second Mo site, Mo is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Mo–Al bond distances ranging from 2.55–2.85 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Mo atoms. In the second Al site, Al is bonded in a 1-coordinate geometry to four Mo atoms. In the third Al site, Al is bonded in a distorted linear geometry to two Mo and one Al atom. The Al–Al bond length is 2.88 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 3.01 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Mo and one Al atom. The Al–Al bond length is 2.80 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mo and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.87 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mo and three equivalent Al atoms.},

  doi          = {10.17188/1204597},

  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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DOI: https://doi.org/10.17188/1204597

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