Materials Data on Si4SnH35(C6N)2 by Materials Project

doi:10.17188/1652191

Title: Materials Data on Si4SnH35(C6N)2 by Materials Project

Dataset
Other Related Research

Abstract

SnSi4H35(C6N)2 is gamma plutonium structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SnSi4H35(C6N)2 clusters. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.18 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. In the second Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.17 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. There are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.76 Å. In the second Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1198198

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; Si4SnH35(C6N)2; C-H-N-Si-Sn

OSTI Identifier:: 1652191

DOI:: https://doi.org/10.17188/1652191

Citation Formats


                    The Materials Project. Materials Data on Si4SnH35(C6N)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652191.

Copy to clipboard


                    The Materials Project. Materials Data on Si4SnH35(C6N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652191

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Si4SnH35(C6N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652191.  https://www.osti.gov/servlets/purl/1652191. Pub date:Sat Jan 12 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1652191,

  title        = {Materials Data on Si4SnH35(C6N)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnSi4H35(C6N)2 is gamma plutonium structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SnSi4H35(C6N)2 clusters. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.18 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. In the second Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.17 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. There are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.76 Å. In the second Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the third Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is two shorter (1.88 Å) and one longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the fourth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the fifth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.76 Å. In the sixth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.91 Å. The Si–N bond length is 1.77 Å. In the seventh Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.90 Å. The Si–N bond length is 1.76 Å. In the eighth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is two shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. The Si–N bond length is 1.76 Å. There are twenty-four inequivalent C+3.92- sites. In the first C+3.92- site, C+3.92- is bonded to one Sn2+, one Si4+, and two H1+ atoms to form distorted corner-sharing CSiSnH2 tetrahedra. Both C–H bond lengths are 1.10 Å. In the second C+3.92- site, C+3.92- is bonded to one Sn2+, one Si4+, and two H1+ atoms to form distorted corner-sharing CSiSnH2 tetrahedra. Both C–H bond lengths are 1.10 Å. In the third C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the sixth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the seventh C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the ninth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the tenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eleventh C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twelfth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the thirteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the sixteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the seventeenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the nineteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twentieth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-first C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-second C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the twenty-third C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-fourth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. There are seventy inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirtieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fortieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fiftieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92-},

  doi          = {10.17188/1652191},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1652191

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on ZnSi4H36(C6N)2 by Materials Project

Dataset The Materials Project

ZnSi4H36(C6N)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four zinc, bis(hexamethyldisilylamide) molecules. Zn2+ is bonded in a linear geometry to two N3- atoms. Both Zn–N bond lengths are 1.85 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three C4- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.75 Å. In the second Si4+ site, Si4+ is bonded to three C4- and one N3- atom tomore »« less
Materials Data on YbSi6H54(C6N)3 by Materials Project

Dataset The Materials Project

YbSi6H54(C6N)3 crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two ytterbium bis(trimethylsilyl)amide molecules. Yb is bonded in a distorted trigonal non-coplanar geometry to three equivalent N atoms. All Yb–N bond lengths are 2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to three C and one N atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.89 Å) and two longer (1.90 Å) Si–C bond length. The Si–N bond length is 1.73 Å. In the second Si site, Si is bonded to three C and onemore »« less
Materials Data on PuSi6H54(C6N)3 by Materials Project

Dataset The Materials Project

PuSi6H54(C6N)3 crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two schembl9738935 molecules. Pu is bonded in a trigonal planar geometry to three equivalent N atoms. All Pu–N bond lengths are 2.30 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to three C and one N atom to form corner-sharing SiC3N tetrahedra. All Si–C bond lengths are 1.89 Å. The Si–N bond length is 1.74 Å. In the second Si site, Si is bonded to three C and one N atom to form corner-sharing SiC3N tetrahedra. There aremore »« less
Materials Data on LiYbSi6H54(C6N)3 by Materials Project

Dataset The Materials Project

LiYbSi6H54(C6N)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two LiYbSi6H54(C6N)3 clusters. Li is bonded in a distorted bent 120 degrees geometry to two N atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Li–N bond lengths. Yb is bonded in a 3-coordinate geometry to three N atoms. There are a spread of Yb–N bond distances ranging from 2.34–2.44 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded to three C and one N atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.89more »« less
Materials Data on H19(C6N)3 by Materials Project

Dataset The Materials Project

H19(C6N)3 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of eight H19(C6N)3 clusters. there are eighteen inequivalent C+0.56- sites. In the first C+0.56- site, C+0.56- is bonded in a distorted bent 120 degrees geometry to two N3- atoms. There is one shorter (1.32 Å) and one longer (1.35 Å) C–N bond length. In the second C+0.56- site, C+0.56- is bonded in a distorted single-bond geometry to one C+0.56- and one N3- atom. The C–C bond length is 1.48 Å. The C–N bond length is 1.29 Å. In the third C+0.56- site, C+0.56- is bonded inmore »« less

Similar Records