Materials Data on Na2H14CO10 by Materials Project
Na2(H2O)7CO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight carbonic acid molecules and two Na2(H2O)7 sheets oriented in the (0, 1, 0) direction. In each Na2(H2O)7 sheet, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is...
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ftosti:oai:osti.gov:1674255 2023-07-30T04:02:56+02:00 Materials Data on Na2H14CO10 by Materials Project The Materials Project 2021-01-28 application/pdf http://www.osti.gov/servlets/purl/1674255 https://www.osti.gov/biblio/1674255 https://doi.org/10.17188/1674255 unknown http://www.osti.gov/servlets/purl/1674255 https://www.osti.gov/biblio/1674255 https://doi.org/10.17188/1674255 doi:10.17188/1674255 36 MATERIALS SCIENCE 2021 ftosti https://doi.org/10.17188/1674255 2023-07-11T09:48:31Z Na2(H2O)7CO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight carbonic acid molecules and two Na2(H2O)7 sheets oriented in the (0, 1, 0) direction. In each Na2(H2O)7 sheet, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.48 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. There are fourteen 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 single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth 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 fifth 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 sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth 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 eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- ... Other/Unknown Material Carbonic acid SciTec Connect (Office of Scientific and Technical Information - OSTI, U.S. Department of Energy) |
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SciTec Connect (Office of Scientific and Technical Information - OSTI, U.S. Department of Energy) |
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36 MATERIALS SCIENCE |
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36 MATERIALS SCIENCE The Materials Project Materials Data on Na2H14CO10 by Materials Project |
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36 MATERIALS SCIENCE |
description |
Na2(H2O)7CO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight carbonic acid molecules and two Na2(H2O)7 sheets oriented in the (0, 1, 0) direction. In each Na2(H2O)7 sheet, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.48 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. There are fourteen 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 single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth 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 fifth 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 sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth 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 eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- ... |
author |
The Materials Project |
author_facet |
The Materials Project |
author_sort |
The Materials Project |
title |
Materials Data on Na2H14CO10 by Materials Project |
title_short |
Materials Data on Na2H14CO10 by Materials Project |
title_full |
Materials Data on Na2H14CO10 by Materials Project |
title_fullStr |
Materials Data on Na2H14CO10 by Materials Project |
title_full_unstemmed |
Materials Data on Na2H14CO10 by Materials Project |
title_sort |
materials data on na2h14co10 by materials project |
publishDate |
2021 |
url |
http://www.osti.gov/servlets/purl/1674255 https://www.osti.gov/biblio/1674255 https://doi.org/10.17188/1674255 |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
http://www.osti.gov/servlets/purl/1674255 https://www.osti.gov/biblio/1674255 https://doi.org/10.17188/1674255 doi:10.17188/1674255 |
op_doi |
https://doi.org/10.17188/1674255 |
_version_ |
1772813849334906880 |