Materials Data on Na2Hf(HO)6 by Materials Project

doi:10.17188/1280372

Title: Materials Data on Na2Hf(HO)6 by Materials Project

Dataset
Other Related Research

Abstract

Na2Hf(HO)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2Hf(HO)6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share edges with three equivalent NaO6 octahedra and edges with three equivalent HfO6 octahedra. There are three shorter (2.46 Å) and three longer (2.47 Å) Na–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share edges with six equivalent NaO6 octahedra. All Hf–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Hf4+, and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-643896

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; Na2Hf(HO)6; H-Hf-Na-O

OSTI Identifier:: 1280372

DOI:: https://doi.org/10.17188/1280372

Citation Formats


                    The Materials Project. Materials Data on Na2Hf(HO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280372.

Copy to clipboard


                    The Materials Project. Materials Data on Na2Hf(HO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280372

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Na2Hf(HO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280372.  https://www.osti.gov/servlets/purl/1280372. Pub date:Wed Jul 22 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1280372,

  title        = {Materials Data on Na2Hf(HO)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Hf(HO)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2Hf(HO)6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share edges with three equivalent NaO6 octahedra and edges with three equivalent HfO6 octahedra. There are three shorter (2.46 Å) and three longer (2.47 Å) Na–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share edges with six equivalent NaO6 octahedra. All Hf–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Hf4+, and one H1+ atom.},

  doi          = {10.17188/1280372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1280372

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ho(MnSn)6 by Materials Project

Dataset The Materials Project

HoMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to eight Sn atoms to form distorted edge-sharing HoSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Ho–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In themore »« less
Materials Data on Te(HO)6 by Materials Project

Dataset The Materials Project

Te(OH)6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Te(OH)6 ribbons oriented in the (1, 0, 1) direction. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length ismore »« less
Materials Data on Te(HO)6 by Materials Project

Dataset The Materials Project

Te(OH)6 is Copper structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two Te(OH)6 clusters. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.96 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.87 Å) and four longer (1.95 Å) Te–O bond length. Theremore »« less
Materials Data on Na2Sn(HO)6 by Materials Project

Dataset The Materials Project

Na2Sn(OH)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2Sn(OH)6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.24 Å. Sn4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sn–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn4+, and one H1+ atom.
Materials Data on Rb3Sc(HO)6 by Materials Project

Dataset The Materials Project

Rb3Sc(HO)6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to four equivalent H1+ and eight equivalent O2- atoms. There are two shorter (3.00 Å) and two longer (3.08 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.88–3.22 Å. Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.16 Å. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in amore »« less

Similar Records