U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K4Np3H8Cl7O10 by Materials Project
Abstract
K4Np3H8O10Cl7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to two O2- and five Cl1- atoms. There are one shorter (2.74 Å) and one longer (3.01 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.12–3.36 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.80–3.29 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.42 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of K–O bond distances ranging from 2.77–3.08 Å. There are a spread of K–Cl bond distances ranging from 3.14–3.29 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of K–O bond distances ranging from 2.90–3.35 Å. There are a spread of K–Cl bond distances ranging from 3.21–3.66 Å. There are three inequivalent Np5+ sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199713
- 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; K4Np3H8Cl7O10; Cl-H-K-Np-O
- OSTI Identifier:
- 1741933
- DOI:
- https://doi.org/10.17188/1741933
Citation Formats
The Materials Project. Materials Data on K4Np3H8Cl7O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741933.
The Materials Project. Materials Data on K4Np3H8Cl7O10 by Materials Project. United States. doi:https://doi.org/10.17188/1741933
The Materials Project. 2020.
"Materials Data on K4Np3H8Cl7O10 by Materials Project". United States. doi:https://doi.org/10.17188/1741933. https://www.osti.gov/servlets/purl/1741933. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1741933,
title = {Materials Data on K4Np3H8Cl7O10 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Np3H8O10Cl7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to two O2- and five Cl1- atoms. There are one shorter (2.74 Å) and one longer (3.01 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.12–3.36 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.80–3.29 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.42 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of K–O bond distances ranging from 2.77–3.08 Å. There are a spread of K–Cl bond distances ranging from 3.14–3.29 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of K–O bond distances ranging from 2.90–3.35 Å. There are a spread of K–Cl bond distances ranging from 3.21–3.66 Å. There are three inequivalent Np5+ sites. In the first Np5+ site, Np5+ is bonded in a 7-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Np–O bond distances ranging from 1.83–2.62 Å. There are a spread of Np–Cl bond distances ranging from 2.81–2.89 Å. In the second Np5+ site, Np5+ is bonded in a 7-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Np–O bond distances ranging from 1.87–2.53 Å. There are a spread of Np–Cl bond distances ranging from 2.82–2.89 Å. In the third Np5+ site, Np5+ is bonded in a 2-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Np–O bond distances ranging from 1.83–2.58 Å. There are a spread of Np–Cl bond distances ranging from 2.80–2.90 Å. There are eight 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 0.99 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 0.99 Å. In the fourth 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 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 0.99 Å. In the seventh 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 eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Np5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Np5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Np5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Np5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and two Np5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one K1+, one Np5+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to one K1+, one Np5+, and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two Np5+ atoms. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Np5+, and two H1+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Np5+ and two H1+ atoms. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two K1+ and two equivalent Np5+ atoms to form distorted edge-sharing ClK2Np2 trigonal pyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two K1+ and two equivalent Np5+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Np5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Np5+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Np5+ atom. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and one Np5+ atom. In the seventh Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two K1+ and one Np5+ atom.},
doi = {10.17188/1741933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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