DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K4Eu(PS4)2 by Materials Project

Abstract

K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.61 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 2.60–3.63 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.59 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to one P5+ and five S2- atoms. The K–P bond length is 2.74 Å. There are a spread of K–S bond distances ranging from 2.51–3.72 Å. In the fifth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.60 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to one P5+ and five S2- atoms. The K–P bond length is 2.76 Å. There are a spread of K–Smore » bond distances ranging from 2.53–3.71 Å. In the seventh K1+ site, K1+ is bonded in a 1-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 2.53–3.65 Å. In the eighth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.61 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a distorted linear geometry to two S2- atoms. There is one shorter (1.97 Å) and one longer (2.01 Å) Eu–S bond length. In the second Eu2+ site, Eu2+ is bonded in a distorted linear geometry to two S2- atoms. There is one shorter (1.96 Å) and one longer (2.01 Å) Eu–S bond length. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.41–2.88 Å. In the second P5+ site, P5+ is bonded in a 2-coordinate geometry to one K1+ and three S2- atoms. There are a spread of P–S bond distances ranging from 1.40–2.86 Å. In the third P5+ site, P5+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.40–2.88 Å. In the fourth P5+ site, P5+ is bonded in a 2-coordinate geometry to one K1+ and three S2- atoms. There are a spread of P–S bond distances ranging from 1.39–2.87 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two K1+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a single-bond geometry to two K1+ and one P5+ atom. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to two K1+ and one P5+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a single-bond geometry to two K1+ and one P5+ atom. In the tenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the sixteenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms.« less

Publication Date:
Other Number(s):
mp-1180828
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K4Eu(PS4)2; Eu-K-P-S
OSTI Identifier:
1699384
DOI:
https://doi.org/10.17188/1699384

Citation Formats

The Materials Project. Materials Data on K4Eu(PS4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699384.
The Materials Project. Materials Data on K4Eu(PS4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1699384
The Materials Project. 2020. "Materials Data on K4Eu(PS4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1699384. https://www.osti.gov/servlets/purl/1699384. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699384,
title = {Materials Data on K4Eu(PS4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.61 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 2.60–3.63 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.59 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to one P5+ and five S2- atoms. The K–P bond length is 2.74 Å. There are a spread of K–S bond distances ranging from 2.51–3.72 Å. In the fifth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.60 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to one P5+ and five S2- atoms. The K–P bond length is 2.76 Å. There are a spread of K–S bond distances ranging from 2.53–3.71 Å. In the seventh K1+ site, K1+ is bonded in a 1-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 2.53–3.65 Å. In the eighth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.61 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a distorted linear geometry to two S2- atoms. There is one shorter (1.97 Å) and one longer (2.01 Å) Eu–S bond length. In the second Eu2+ site, Eu2+ is bonded in a distorted linear geometry to two S2- atoms. There is one shorter (1.96 Å) and one longer (2.01 Å) Eu–S bond length. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.41–2.88 Å. In the second P5+ site, P5+ is bonded in a 2-coordinate geometry to one K1+ and three S2- atoms. There are a spread of P–S bond distances ranging from 1.40–2.86 Å. In the third P5+ site, P5+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.40–2.88 Å. In the fourth P5+ site, P5+ is bonded in a 2-coordinate geometry to one K1+ and three S2- atoms. There are a spread of P–S bond distances ranging from 1.39–2.87 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two K1+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a single-bond geometry to two K1+ and one P5+ atom. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to two K1+ and one P5+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a single-bond geometry to two K1+ and one P5+ atom. In the tenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+, one Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms. In the sixteenth S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ atoms.},
doi = {10.17188/1699384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}