Materials Data on Sr2MnBiPbO6 by Materials Project

doi:10.17188/1758397

Title: Materials Data on Sr2MnBiPbO6 by Materials Project

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Abstract

BiPbSr2MnO6 crystallizes in the monoclinic P2 space group. The structure is two-dimensional and consists of one BiPbSr2MnO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.94 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.97 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.95 Å) and two longer (2.26 Å) Mn–O bond lengths. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.94 Å) and two longer (2.38 Å) Mn–O bond lengths. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.34 Å. Bi3+ is bonded in a 3-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1173263

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; Sr2MnBiPbO6; Bi-Mn-O-Pb-Sr

OSTI Identifier:: 1758397

DOI:: https://doi.org/10.17188/1758397

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                    The Materials Project. Materials Data on Sr2MnBiPbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758397.

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                    The Materials Project. Materials Data on Sr2MnBiPbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758397

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                    The Materials Project. 2020.  
"Materials Data on Sr2MnBiPbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758397.  https://www.osti.gov/servlets/purl/1758397. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758397,

  title        = {Materials Data on Sr2MnBiPbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiPbSr2MnO6 crystallizes in the monoclinic P2 space group. The structure is two-dimensional and consists of one BiPbSr2MnO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.94 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.97 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.95 Å) and two longer (2.26 Å) Mn–O bond lengths. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.94 Å) and two longer (2.38 Å) Mn–O bond lengths. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.34 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.13 Å) and one longer (2.14 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+ and two Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded to four Sr2+ and two Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Mn3+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Mn3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb2+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb2+, and one Bi3+ atom.},

  doi          = {10.17188/1758397},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758397

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