Materials Data on S by Materials Project

doi:10.17188/1269058

Title: Materials Data on S by Materials Project

Dataset
Other Related Research

Abstract

S is alpha-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four S clusters. there are eighteen inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the second S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the fifth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the sixth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the eighth S site, S is bonded in a water-likemore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-555915

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; S; S

OSTI Identifier:: 1269058

DOI:: https://doi.org/10.17188/1269058

Citation Formats


                    The Materials Project. Materials Data on S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269058.

Copy to clipboard


                    The Materials Project. Materials Data on S by Materials Project.  United States.  doi:https://doi.org/10.17188/1269058

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on S by Materials Project".  United States.  doi:https://doi.org/10.17188/1269058.  https://www.osti.gov/servlets/purl/1269058. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1269058,

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

  author       = {The Materials Project},

  abstractNote = {S is alpha-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four S clusters. there are eighteen inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the second S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the fifth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the sixth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. Both S–S bond lengths are 2.07 Å. In the eighth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the ninth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the tenth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the eleventh S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the twelfth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the thirteenth S site, S is bonded in a water-like geometry to two S atoms. In the fourteenth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the fifteenth S site, S is bonded in a water-like geometry to two S atoms. In the sixteenth S site, S is bonded in a water-like geometry to two S atoms. In the seventeenth S site, S is bonded in a water-like geometry to two S atoms. In the eighteenth S site, S is bonded in a water-like geometry to two S atoms.},

  doi          = {10.17188/1269058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1269058

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on S(IO3)2 by Materials Project

Dataset The Materials Project

S(O3I)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two S(O3I)2 sheets oriented in the (0, 0, 1) direction. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ and one I5+ atom. The O–I bond length is 2.46 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one S2+ andmore »« less
Materials Data on S(ClO)2 by Materials Project

Dataset The Materials Project

SO2Cl2 is gamma plutonium structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight sulfuryl chloride molecules. S6+ is bonded in a distorted tetrahedral geometry to two equivalent O2- and two equivalent Cl1- atoms. Both S–O bond lengths are 1.43 Å. Both S–Cl bond lengths are 2.03 Å. O2- is bonded in a single-bond geometry to one S6+ atom. Cl1- is bonded in a single-bond geometry to one S6+ atom.
Materials Data on S by Materials Project

Dataset The Materials Project

S is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. S is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing SS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All S–S bond lengths are 2.58 Å.
Materials Data on S by Materials Project

Dataset The Materials Project

S is alpha-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two S clusters. there are fourteen inequivalent S sites. In the first S site, S is bonded in a bent 120 degrees geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the third S site, S is bonded in amore »« less
Materials Data on S by Materials Project

Dataset The Materials Project

S is alpha-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight S clusters. there are eleven inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the third S site, S is bonded in a water-like geometrymore »« less

Similar Records