Materials Data on Mn3(P3Pd10)2 by Materials Project

doi:10.17188/1277212

Title: Materials Data on Mn3(P3Pd10)2 by Materials Project

Dataset
Other Related Research

Abstract

Mn3Pd20P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to sixteen Pd atoms to form distorted MnPd16 tetrahedra that share edges with six equivalent MnPd16 tetrahedra, edges with twelve equivalent PdMnP3Pd6 tetrahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with four equivalent PdMnP3Pd6 tetrahedra. There are four shorter (2.75 Å) and twelve longer (3.31 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded to twelve equivalent Pd atoms to form MnPd12 cuboctahedra that share edges with twenty-four equivalent PdMnP3Pd6 tetrahedra and faces with eight equivalent MnPd16 tetrahedra. All Mn–Pd bond lengths are 2.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Mn, six equivalent Pd, and three equivalent P atoms to form distorted PdMnP3Pd6 tetrahedra that share corners with three equivalent PdMnP3Pd6 tetrahedra, edges with three equivalent MnPd12 cuboctahedra, edges with three equivalent MnPd16 tetrahedra, edges with three equivalent PdMnP3Pd6 tetrahedra, a faceface with one MnPd16 tetrahedra, and faces with six equivalent PdMnP3Pd6 tetrahedra. All Pd–Pd bond lengths are 2.99 Å. All Pd–P bond lengths are 2.47 Å. In themore »« less

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-5979

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; Mn3(P3Pd10)2; Mn-P-Pd

OSTI Identifier:: 1277212

DOI:: https://doi.org/10.17188/1277212

Citation Formats


                    The Materials Project. Materials Data on Mn3(P3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277212.

Copy to clipboard


                    The Materials Project. Materials Data on Mn3(P3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277212

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mn3(P3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277212.  https://www.osti.gov/servlets/purl/1277212. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1277212,

  title        = {Materials Data on Mn3(P3Pd10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Pd20P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to sixteen Pd atoms to form distorted MnPd16 tetrahedra that share edges with six equivalent MnPd16 tetrahedra, edges with twelve equivalent PdMnP3Pd6 tetrahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with four equivalent PdMnP3Pd6 tetrahedra. There are four shorter (2.75 Å) and twelve longer (3.31 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded to twelve equivalent Pd atoms to form MnPd12 cuboctahedra that share edges with twenty-four equivalent PdMnP3Pd6 tetrahedra and faces with eight equivalent MnPd16 tetrahedra. All Mn–Pd bond lengths are 2.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Mn, six equivalent Pd, and three equivalent P atoms to form distorted PdMnP3Pd6 tetrahedra that share corners with three equivalent PdMnP3Pd6 tetrahedra, edges with three equivalent MnPd12 cuboctahedra, edges with three equivalent MnPd16 tetrahedra, edges with three equivalent PdMnP3Pd6 tetrahedra, a faceface with one MnPd16 tetrahedra, and faces with six equivalent PdMnP3Pd6 tetrahedra. All Pd–Pd bond lengths are 2.99 Å. All Pd–P bond lengths are 2.47 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three Mn, nine Pd, and two equivalent P atoms. There are one shorter (2.70 Å) and four longer (2.93 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.36 Å. P is bonded in a 8-coordinate geometry to eight Pd atoms.},

  doi          = {10.17188/1277212},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1277212

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Er3(P3Pd10)2 by Materials Project

Dataset The Materials Project

Er3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing ErP6Pd12 cuboctahedra. All Er–Pd bond lengths are 2.99 Å. All Er–P bond lengths are 3.23 Å. In the second Er site, Er is bonded to sixteen Pd atoms to form distorted ErPd16 tetrahedra that share edges with six equivalent ErPd16 tetrahedra and faces with four equivalent ErP6Pd12 cuboctahedra. There are four shorter (2.85 Å) and twelve longer (3.35 Å) Er–Pd bondmore »« less
Materials Data on Sm3(P3Pd10)2 by Materials Project

Dataset The Materials Project

Sm3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to sixteen Pd atoms to form distorted SmPd16 tetrahedra that share edges with six equivalent SmPd16 tetrahedra and faces with four equivalent SmP6Pd12 cuboctahedra. There are four shorter (2.90 Å) and twelve longer (3.36 Å) Sm–Pd bond lengths. In the second Sm site, Sm is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing SmP6Pd12 cuboctahedra. All Sm–Pd bond lengths are 3.03 Å. All Sm–P bond lengths are 3.23more »« less
Materials Data on Dy3(P3Pd10)2 by Materials Project

Dataset The Materials Project

Dy3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to sixteen Pd atoms to form distorted DyPd16 tetrahedra that share edges with six equivalent DyPd16 tetrahedra and faces with four equivalent DyP6Pd12 cuboctahedra. There are four shorter (2.85 Å) and twelve longer (3.35 Å) Dy–Pd bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing DyP6Pd12 cuboctahedra. All Dy–Pd bond lengths are 3.00 Å. All Dy–P bond lengths are 3.24more »« less
Materials Data on La3(P3Pd10)2 by Materials Project

Dataset The Materials Project

La3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to sixteen Pd atoms to form distorted LaPd16 tetrahedra that share edges with six equivalent LaPd16 tetrahedra and faces with four equivalent LaP6Pd12 cuboctahedra. There are four shorter (2.93 Å) and twelve longer (3.39 Å) La–Pd bond lengths. In the second La site, La is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing LaP6Pd12 cuboctahedra. All La–Pd bond lengths are 3.05 Å. All La–P bond lengths are 3.28more »« less
Materials Data on Yb3(P3Pd10)2 by Materials Project

Dataset The Materials Project

Yb3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to sixteen Pd atoms to form distorted YbPd16 tetrahedra that share edges with six equivalent YbPd16 tetrahedra and faces with four equivalent YbP6Pd12 cuboctahedra. There are four shorter (2.86 Å) and twelve longer (3.34 Å) Yb–Pd bond lengths. In the second Yb site, Yb is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing YbP6Pd12 cuboctahedra. All Yb–Pd bond lengths are 2.99 Å. All Yb–P bond lengths are 3.23more »« less

Similar Records