Scandium Selenophosphates

Structure and Properties of K4Sc2(PSe4)2(P2Se6)

Jonathan C. Syrigos, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The new compound K4Sc2P4Se14 was synthesized via the polychalcogenide flux method. It crystallizes in the space group C2/c, and the structure is composed of 1/[Sc2P4Se14 4-] chains that are separated by K+ cations. The structural motif features two [PSe4]3- units and one [P2Se6]4- unit bridging the Sc centers and has not been reported for any other compound. The 1/[Sc2P4Se14 4-] chains pack in a crosshatched pattern perpendicular to the c axis of the crystal, forming channels for half of the K+ atoms while the other half occupy empty space between the chains. The orange-yellow crystals of K4Sc2P4Se14 are air-sensitive and gradually turn red over the course of a couple hours. The band gap of the phase is 2.25(2) eV, and Raman spectroscopy shows the symmetric stretches of the selenophosphate groups to be at 231 and 216 cm-1 for the [PSe4]3- and [P2Se6]4- units, respectively. Solid-state 31P MAS NMR of K4Sc2P4Se14 shows two prominent peaks at 11.31 and -23.07 ppm and one minor peak at -106.36 ppm, most likely due to degradation of the product or an unknown second phase.

Original languageEnglish
Pages (from-to)4664-4668
Number of pages5
JournalInorganic Chemistry
Volume55
Issue number9
DOIs
Publication statusPublished - May 2 2016

Fingerprint

Scandium
scandium
Crystals
Raman spectroscopy
Cations
Energy gap
Nuclear magnetic resonance
Fluxes
Degradation
Atoms
crystals
Air
degradation
solid state
cations
nuclear magnetic resonance
air
products
atoms
selenophosphate

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Scandium Selenophosphates : Structure and Properties of K4Sc2(PSe4)2(P2Se6). / Syrigos, Jonathan C.; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 55, No. 9, 02.05.2016, p. 4664-4668.

Research output: Contribution to journalArticle

@article{49a0612187a04ba7a8242e551f7b6406,
title = "Scandium Selenophosphates: Structure and Properties of K4Sc2(PSe4)2(P2Se6)",
abstract = "The new compound K4Sc2P4Se14 was synthesized via the polychalcogenide flux method. It crystallizes in the space group C2/c, and the structure is composed of 1/∞[Sc2P4Se14 4-] chains that are separated by K+ cations. The structural motif features two [PSe4]3- units and one [P2Se6]4- unit bridging the Sc centers and has not been reported for any other compound. The 1/∞[Sc2P4Se14 4-] chains pack in a crosshatched pattern perpendicular to the c axis of the crystal, forming channels for half of the K+ atoms while the other half occupy empty space between the chains. The orange-yellow crystals of K4Sc2P4Se14 are air-sensitive and gradually turn red over the course of a couple hours. The band gap of the phase is 2.25(2) eV, and Raman spectroscopy shows the symmetric stretches of the selenophosphate groups to be at 231 and 216 cm-1 for the [PSe4]3- and [P2Se6]4- units, respectively. Solid-state 31P MAS NMR of K4Sc2P4Se14 shows two prominent peaks at 11.31 and -23.07 ppm and one minor peak at -106.36 ppm, most likely due to degradation of the product or an unknown second phase.",
author = "Syrigos, {Jonathan C.} and Kanatzidis, {Mercouri G}",
year = "2016",
month = "5",
day = "2",
doi = "10.1021/acs.inorgchem.6b00535",
language = "English",
volume = "55",
pages = "4664--4668",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "9",

}

TY - JOUR

T1 - Scandium Selenophosphates

T2 - Structure and Properties of K4Sc2(PSe4)2(P2Se6)

AU - Syrigos, Jonathan C.

AU - Kanatzidis, Mercouri G

PY - 2016/5/2

Y1 - 2016/5/2

N2 - The new compound K4Sc2P4Se14 was synthesized via the polychalcogenide flux method. It crystallizes in the space group C2/c, and the structure is composed of 1/∞[Sc2P4Se14 4-] chains that are separated by K+ cations. The structural motif features two [PSe4]3- units and one [P2Se6]4- unit bridging the Sc centers and has not been reported for any other compound. The 1/∞[Sc2P4Se14 4-] chains pack in a crosshatched pattern perpendicular to the c axis of the crystal, forming channels for half of the K+ atoms while the other half occupy empty space between the chains. The orange-yellow crystals of K4Sc2P4Se14 are air-sensitive and gradually turn red over the course of a couple hours. The band gap of the phase is 2.25(2) eV, and Raman spectroscopy shows the symmetric stretches of the selenophosphate groups to be at 231 and 216 cm-1 for the [PSe4]3- and [P2Se6]4- units, respectively. Solid-state 31P MAS NMR of K4Sc2P4Se14 shows two prominent peaks at 11.31 and -23.07 ppm and one minor peak at -106.36 ppm, most likely due to degradation of the product or an unknown second phase.

AB - The new compound K4Sc2P4Se14 was synthesized via the polychalcogenide flux method. It crystallizes in the space group C2/c, and the structure is composed of 1/∞[Sc2P4Se14 4-] chains that are separated by K+ cations. The structural motif features two [PSe4]3- units and one [P2Se6]4- unit bridging the Sc centers and has not been reported for any other compound. The 1/∞[Sc2P4Se14 4-] chains pack in a crosshatched pattern perpendicular to the c axis of the crystal, forming channels for half of the K+ atoms while the other half occupy empty space between the chains. The orange-yellow crystals of K4Sc2P4Se14 are air-sensitive and gradually turn red over the course of a couple hours. The band gap of the phase is 2.25(2) eV, and Raman spectroscopy shows the symmetric stretches of the selenophosphate groups to be at 231 and 216 cm-1 for the [PSe4]3- and [P2Se6]4- units, respectively. Solid-state 31P MAS NMR of K4Sc2P4Se14 shows two prominent peaks at 11.31 and -23.07 ppm and one minor peak at -106.36 ppm, most likely due to degradation of the product or an unknown second phase.

UR - http://www.scopus.com/inward/record.url?scp=84968735499&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84968735499&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.6b00535

DO - 10.1021/acs.inorgchem.6b00535

M3 - Article

VL - 55

SP - 4664

EP - 4668

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 9

ER -