LiEuPSe4 and KEuPSe4: Novel selenophosphates with the tetrahedral [PSe4]3- building block

Jennifer A. Aitken, Konstantinos Chondroudis, Victor G. Young, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

LiEuPSe4, the first quaternary lithium-containing selenophosphate, was synthesized as red polyhedra by reacting Eu with a molten mixture of Li2Se/P2Se5/Se at 750 °C. Similarly, the reaction of Eu with a molten mixture of K2Se/P2Se5/Se at 495 °C produced red polyhedral crystals of KEuPSe4. Both compounds are unstable in moist air. In addition, both compounds were plagued with crystal twinning. Acceptable crystal structure refinements could only be obtained by identifying the type of twinning and taking it into account in the final refinement. LiEuPSe4 crystallizes in the noncentrosymmetric space group Ama2 (no. 40) with a = 10.5592 (9) Å, b = 10.415 (1) Å, c = 6.4924 (7) Å, and Z = 4. The structure is three-dimensional and composed of EuSe8 distorted square antiprisms and PSe4 tetrahedral building blocks that create tunnels, running down the a axis, in which the Li ions reside. The Li ions are in a highly distorted tetrahedral coordination. KEuPSe4 crystallizes in the space group P21/m (no. 11) with a = 6.8469(6) Å, b = 6.9521(6) Å, c = 9.0436(8) Å, β = 107.677(2)°, and Z = 2. The structure has two-dimensional character with layers composed of EuSe6 trigonal prisms and PSe4 tetrahedral units. Between the [EuPSe4](n)(n-) layers the K ions reside in a bicapped trigonal prism of Se atoms. The structure of the [EuPSe4](n)(n-) framework is similar to that found in CsPbPSe4. Both compounds are semiconductors with band gaps of 2.00 and 1.88 eV, respectively. Differential thermal analysis and infrared spectroscopic characterization are also reported.

Original languageEnglish
Pages (from-to)1525-1533
Number of pages9
JournalInorganic Chemistry
Volume39
Issue number7
DOIs
Publication statusPublished - Apr 3 2000

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Twinning
Ions
twinning
Prisms
prisms
Molten materials
ions
polyhedrons
Lithium
Differential thermal analysis
crystals
tunnels
Tunnels
thermal analysis
Energy gap
lithium
Crystal structure
Semiconductor materials
Infrared radiation
Atoms

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

LiEuPSe4 and KEuPSe4 : Novel selenophosphates with the tetrahedral [PSe4]3- building block. / Aitken, Jennifer A.; Chondroudis, Konstantinos; Young, Victor G.; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 39, No. 7, 03.04.2000, p. 1525-1533.

Research output: Contribution to journalArticle

Aitken, Jennifer A. ; Chondroudis, Konstantinos ; Young, Victor G. ; Kanatzidis, Mercouri G. / LiEuPSe4 and KEuPSe4 : Novel selenophosphates with the tetrahedral [PSe4]3- building block. In: Inorganic Chemistry. 2000 ; Vol. 39, No. 7. pp. 1525-1533.
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title = "LiEuPSe4 and KEuPSe4: Novel selenophosphates with the tetrahedral [PSe4]3- building block",
abstract = "LiEuPSe4, the first quaternary lithium-containing selenophosphate, was synthesized as red polyhedra by reacting Eu with a molten mixture of Li2Se/P2Se5/Se at 750 °C. Similarly, the reaction of Eu with a molten mixture of K2Se/P2Se5/Se at 495 °C produced red polyhedral crystals of KEuPSe4. Both compounds are unstable in moist air. In addition, both compounds were plagued with crystal twinning. Acceptable crystal structure refinements could only be obtained by identifying the type of twinning and taking it into account in the final refinement. LiEuPSe4 crystallizes in the noncentrosymmetric space group Ama2 (no. 40) with a = 10.5592 (9) {\AA}, b = 10.415 (1) {\AA}, c = 6.4924 (7) {\AA}, and Z = 4. The structure is three-dimensional and composed of EuSe8 distorted square antiprisms and PSe4 tetrahedral building blocks that create tunnels, running down the a axis, in which the Li ions reside. The Li ions are in a highly distorted tetrahedral coordination. KEuPSe4 crystallizes in the space group P21/m (no. 11) with a = 6.8469(6) {\AA}, b = 6.9521(6) {\AA}, c = 9.0436(8) {\AA}, β = 107.677(2)°, and Z = 2. The structure has two-dimensional character with layers composed of EuSe6 trigonal prisms and PSe4 tetrahedral units. Between the [EuPSe4](n)(n-) layers the K ions reside in a bicapped trigonal prism of Se atoms. The structure of the [EuPSe4](n)(n-) framework is similar to that found in CsPbPSe4. Both compounds are semiconductors with band gaps of 2.00 and 1.88 eV, respectively. Differential thermal analysis and infrared spectroscopic characterization are also reported.",
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T2 - Novel selenophosphates with the tetrahedral [PSe4]3- building block

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