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Title: Materials Data on K7H12Pt4C16(N8O3)2 by Materials Project

Abstract

K7Pt4C16H12(N8O3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to three N3- and two O2- atoms to form distorted edge-sharing KN3O2 square pyramids. There are a spread of K–N bond distances ranging from 2.85–3.03 Å. There are one shorter (2.85 Å) and one longer (2.94 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.81–3.25 Å. The K–O bond length is 2.79 Å. In the third K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.92 Å) and one longer (3.25 Å) K–N bond lengths. There are one shorter (2.70 Å) and one longer (2.86 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.92 Å) and one longer (3.26 Å) K–N bond lengths. There are one shorter (2.71 Å) and one longer (2.87 Å) K–Omore » bond lengths. In the fifth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.90 Å) and one longer (2.92 Å) K–N bond lengths. There are one shorter (2.82 Å) and one longer (2.84 Å) K–O bond lengths. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.81–3.23 Å. The K–O bond length is 2.76 Å. In the seventh K1+ site, K1+ is bonded to three N3- and two O2- atoms to form distorted edge-sharing KN3O2 square pyramids. There are a spread of K–N bond distances ranging from 2.84–3.04 Å. There are one shorter (2.84 Å) and one longer (2.93 Å) K–O bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a square co-planar geometry to two C+3.06+ and two N3- atoms. Both Pt–C bond lengths are 2.01 Å. Both Pt–N bond lengths are 1.99 Å. In the second Pt2- site, Pt2- is bonded in a rectangular see-saw-like geometry to two C+3.06+ and two N3- atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) Pt–C bond lengths. Both Pt–N bond lengths are 1.98 Å. In the third Pt2- site, Pt2- is bonded in a square co-planar geometry to two C+3.06+ and two equivalent N3- atoms. Both Pt–C bond lengths are 2.01 Å. Both Pt–N bond lengths are 1.99 Å. In the fourth Pt2- site, Pt2- is bonded in a rectangular see-saw-like geometry to two C+3.06+ and two N3- atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) Pt–C bond lengths. There is one shorter (1.98 Å) and one longer (1.99 Å) Pt–N bond length. There are fourteen inequivalent C+3.06+ sites. In the first C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the sixth C+3.06+ site, C+3.06+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the seventh C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the eighth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the ninth C+3.06+ site, C+3.06+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the tenth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the eleventh C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the twelfth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the thirteenth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourteenth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are fifteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+3.06+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the fifth N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the sixth N3- site, N3- is bonded in a single-bond geometry to two K1+ and one C+3.06+ atom. In the seventh N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. The N–C bond length is 1.18 Å. In the eighth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the ninth N3- site, N3- is bonded in a distorted linear geometry to one Pt2- and one C+3.06+ atom. In the tenth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+3.06+ atom. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the twelfth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the thirteenth N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+3.06+ atom. In the fourteenth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the fifteenth N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. There are twelve 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 0.99 Å. In the fifth 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 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 0.98 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 0.98 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-720215
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; K7H12Pt4C16(N8O3)2; C-H-K-N-O-Pt
OSTI Identifier:
1287123
DOI:
https://doi.org/10.17188/1287123

Citation Formats

The Materials Project. Materials Data on K7H12Pt4C16(N8O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287123.
The Materials Project. Materials Data on K7H12Pt4C16(N8O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1287123
The Materials Project. 2020. "Materials Data on K7H12Pt4C16(N8O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1287123. https://www.osti.gov/servlets/purl/1287123. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1287123,
title = {Materials Data on K7H12Pt4C16(N8O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K7Pt4C16H12(N8O3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to three N3- and two O2- atoms to form distorted edge-sharing KN3O2 square pyramids. There are a spread of K–N bond distances ranging from 2.85–3.03 Å. There are one shorter (2.85 Å) and one longer (2.94 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.81–3.25 Å. The K–O bond length is 2.79 Å. In the third K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.92 Å) and one longer (3.25 Å) K–N bond lengths. There are one shorter (2.70 Å) and one longer (2.86 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.92 Å) and one longer (3.26 Å) K–N bond lengths. There are one shorter (2.71 Å) and one longer (2.87 Å) K–O bond lengths. In the fifth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to two N3- and two O2- atoms. There are one shorter (2.90 Å) and one longer (2.92 Å) K–N bond lengths. There are one shorter (2.82 Å) and one longer (2.84 Å) K–O bond lengths. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.81–3.23 Å. The K–O bond length is 2.76 Å. In the seventh K1+ site, K1+ is bonded to three N3- and two O2- atoms to form distorted edge-sharing KN3O2 square pyramids. There are a spread of K–N bond distances ranging from 2.84–3.04 Å. There are one shorter (2.84 Å) and one longer (2.93 Å) K–O bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a square co-planar geometry to two C+3.06+ and two N3- atoms. Both Pt–C bond lengths are 2.01 Å. Both Pt–N bond lengths are 1.99 Å. In the second Pt2- site, Pt2- is bonded in a rectangular see-saw-like geometry to two C+3.06+ and two N3- atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) Pt–C bond lengths. Both Pt–N bond lengths are 1.98 Å. In the third Pt2- site, Pt2- is bonded in a square co-planar geometry to two C+3.06+ and two equivalent N3- atoms. Both Pt–C bond lengths are 2.01 Å. Both Pt–N bond lengths are 1.99 Å. In the fourth Pt2- site, Pt2- is bonded in a rectangular see-saw-like geometry to two C+3.06+ and two N3- atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) Pt–C bond lengths. There is one shorter (1.98 Å) and one longer (1.99 Å) Pt–N bond length. There are fourteen inequivalent C+3.06+ sites. In the first C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the sixth C+3.06+ site, C+3.06+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the seventh C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the eighth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the ninth C+3.06+ site, C+3.06+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the tenth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the eleventh C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the twelfth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the thirteenth C+3.06+ site, C+3.06+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourteenth C+3.06+ site, C+3.06+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are fifteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+3.06+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the fifth N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the sixth N3- site, N3- is bonded in a single-bond geometry to two K1+ and one C+3.06+ atom. In the seventh N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. The N–C bond length is 1.18 Å. In the eighth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the ninth N3- site, N3- is bonded in a distorted linear geometry to one Pt2- and one C+3.06+ atom. In the tenth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+3.06+ atom. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. In the twelfth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the thirteenth N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+3.06+ atom. In the fourteenth N3- site, N3- is bonded in a linear geometry to one Pt2- and one C+3.06+ atom. In the fifteenth N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C+3.06+ atom. There are twelve 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 0.99 Å. In the fifth 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 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 0.98 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 0.98 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms.},
doi = {10.17188/1287123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}