Materials Data on Sm2(MnBi2)3 by Materials Project

doi:10.17188/1275121

Title: Materials Data on Sm2(MnBi2)3 by Materials Project

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Abstract

Sm2(MnBi2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.28–3.67 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.30–3.59 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to four Mn and five Bi atoms. There are two shorter (2.77 Å) and two longer (2.83 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.79–3.11 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to three Mn and four Bi atoms. The Mn–Mn bond length is 2.77 Å. There are a spread of Mn–Bi bond distances ranging from 2.81–2.89 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to three Mn and six Bi atoms. There are a spread of Mn–Bi bond distances ranging from 2.97–3.14 Å. There are six inequivalent Bi sites.more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-569487

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; Sm2(MnBi2)3; Bi-Mn-Sm

OSTI Identifier:: 1275121

DOI:: https://doi.org/10.17188/1275121

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                    The Materials Project. Materials Data on Sm2(MnBi2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275121.

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                    The Materials Project. Materials Data on Sm2(MnBi2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275121

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                    The Materials Project. 2020.  
"Materials Data on Sm2(MnBi2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275121.  https://www.osti.gov/servlets/purl/1275121. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275121,

  title        = {Materials Data on Sm2(MnBi2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2(MnBi2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.28–3.67 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.30–3.59 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to four Mn and five Bi atoms. There are two shorter (2.77 Å) and two longer (2.83 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.79–3.11 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to three Mn and four Bi atoms. The Mn–Mn bond length is 2.77 Å. There are a spread of Mn–Bi bond distances ranging from 2.81–2.89 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to three Mn and six Bi atoms. There are a spread of Mn–Bi bond distances ranging from 2.97–3.14 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to three equivalent Sm and four Mn atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four Sm and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 4-coordinate geometry to one Sm and four Mn atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to three Sm, three Mn, and two equivalent Bi atoms. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to three equivalent Sm and one Mn atom. In the sixth Bi site, Bi is bonded in a 7-coordinate geometry to four Sm and three Mn atoms.},

  doi          = {10.17188/1275121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275121

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