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Title: Materials Data on Sb3P2H6C2NO9 by Materials Project

Abstract

(CH3)2Sb3P2NO9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four methane molecules and one Sb3P2NO9 sheet oriented in the (0, 0, 1) direction. In the Sb3P2NO9 sheet, there are three inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.51 Å. In the second Sb1- site, Sb1- is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.45 Å. In the third Sb1- site, Sb1- is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.65 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. N3- is bonded in a 4-coordinate geometrymore » to five O2- atoms. There are a spread of N–O bond distances ranging from 2.86–3.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb1- and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb1- and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sb1-, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb1- and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb1- atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb1- and two equivalent N3- atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb1- and one N3- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Sb1- and one P5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Sb1-, one P5+, and one N3- atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1285366
Report Number(s):
mp-698522
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Sb3P2H6C2NO9; C-H-N-O-P-Sb

Citation Formats

The Materials Project. Materials Data on Sb3P2H6C2NO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285366.
The Materials Project. Materials Data on Sb3P2H6C2NO9 by Materials Project. United States. https://doi.org/10.17188/1285366
The Materials Project. 2020. "Materials Data on Sb3P2H6C2NO9 by Materials Project". United States. https://doi.org/10.17188/1285366. https://www.osti.gov/servlets/purl/1285366.
@article{osti_1285366,
title = {Materials Data on Sb3P2H6C2NO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)2Sb3P2NO9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four methane molecules and one Sb3P2NO9 sheet oriented in the (0, 0, 1) direction. In the Sb3P2NO9 sheet, there are three inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.51 Å. In the second Sb1- site, Sb1- is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.45 Å. In the third Sb1- site, Sb1- is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.65 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. N3- is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of N–O bond distances ranging from 2.86–3.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb1- and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb1- and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sb1-, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb1- and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb1- atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb1- and two equivalent N3- atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb1- and one N3- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Sb1- and one P5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Sb1-, one P5+, and one N3- atom.},
doi = {10.17188/1285366},
url = {https://www.osti.gov/biblio/1285366}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}