Synthesis and structure of BaSc3AgS6

Ping Wu; Michael A. Pell; Jason A. Cody; James A. Ibers

doi:10.1016/0925-8388(95)01556-6

Synthesis and structure of BaSc₃AgS₆

Ping Wu, Michael A. Pell, Jason A. Cody, James A. Ibers^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The new quaternary compound BaSc₃AgS₆ has been synthesized at 1000 °C. The compound crystallizes in the space group D_2b¹⁶-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) A ̊, b = 11.108(2) A ̊, c = 10.914(3) A ̊ (T = 115 K), V = 1958.4(7) A ̊³. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are R_w(F²) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having F_o²>2σ(F_o²). BaSc₃AgS₆ has a three-dimensional framework structure with single channels that accommodate Ba²⁺ cations. Sc³⁺ cations are octahedrally coordinated whereas Ag⁺ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.

Original language	English (US)
Pages (from-to)	199-202
Number of pages	4
Journal	Journal of Alloys and Compounds
Volume	224
Issue number	2
DOIs	https://doi.org/10.1016/0925-8388(95)01556-6
State	Published - Jul 1 1995

Keywords

Crystal structure
Quaternary sulfide
Synthesis

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/0925-8388(95)01556-6

Cite this

@article{86fbc24ab2974de9962acc851c092e83,

title = "Synthesis and structure of BaSc3AgS6",

abstract = "The new quaternary compound BaSc3AgS6 has been synthesized at 1000 °C. The compound crystallizes in the space group D2b16-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) A ̊, b = 11.108(2) A ̊, c = 10.914(3) A ̊ (T = 115 K), V = 1958.4(7) A ̊3. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are Rw(F2) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having Fo2>2σ(Fo2). BaSc3AgS6 has a three-dimensional framework structure with single channels that accommodate Ba2+ cations. Sc3+ cations are octahedrally coordinated whereas Ag+ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.",

keywords = "Crystal structure, Quaternary sulfide, Synthesis",

author = "Ping Wu and Pell, {Michael A.} and Cody, {Jason A.} and Ibers, {James A.}",

year = "1995",

month = jul,

day = "1",

doi = "10.1016/0925-8388(95)01556-6",

language = "English (US)",

volume = "224",

pages = "199--202",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier B.V.",

number = "2",

}

TY - JOUR

T1 - Synthesis and structure of BaSc3AgS6

AU - Wu, Ping

AU - Pell, Michael A.

AU - Cody, Jason A.

AU - Ibers, James A.

PY - 1995/7/1

Y1 - 1995/7/1

N2 - The new quaternary compound BaSc3AgS6 has been synthesized at 1000 °C. The compound crystallizes in the space group D2b16-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) A ̊, b = 11.108(2) A ̊, c = 10.914(3) A ̊ (T = 115 K), V = 1958.4(7) A ̊3. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are Rw(F2) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having Fo2>2σ(Fo2). BaSc3AgS6 has a three-dimensional framework structure with single channels that accommodate Ba2+ cations. Sc3+ cations are octahedrally coordinated whereas Ag+ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.

AB - The new quaternary compound BaSc3AgS6 has been synthesized at 1000 °C. The compound crystallizes in the space group D2b16-Pnma of the orthorhombic system with eight formula units in a cell of dimensions a = 16.154(3) A ̊, b = 11.108(2) A ̊, c = 10.914(3) A ̊ (T = 115 K), V = 1958.4(7) A ̊3. The structure of the compound was determined from single-crystal X-ray methods. Agreement indices are Rw(F2) = 0.123 for 2022 unique data and 54 variables, R(F) = 0.056 for 1201 observations having Fo2>2σ(Fo2). BaSc3AgS6 has a three-dimensional framework structure with single channels that accommodate Ba2+ cations. Sc3+ cations are octahedrally coordinated whereas Ag+ cations exhibit both square-pyramidal and trigonal-pyramidal coordination.

KW - Crystal structure

KW - Quaternary sulfide

KW - Synthesis

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