Syntheses and crystal structures of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds

Adel Mesbah; Jai Prakash; Jessica C. Beard; Christos D. Malliakas; James A. Ibers

doi:10.1016/j.matlet.2019.05.092

Syntheses and crystal structures of the Ba₇UM₂S_12.5O_0.5 (M = Ti, Si/Fe) compounds

Adel Mesbah, Jai Prakash, Jessica C. Beard, Christos D. Malliakas, James A. Ibers^*

^*Corresponding author for this work

Chemistry

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

Abstract

Black single crystals of the Ba₇UM₂S_12.5O_0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba₇UV₂S_12.5O_0.5 structure type in space group I4/mcm of the tetragonal system with a = 16.1451(3) Å and c = 9.5310(2) Å (Ba₇UTi₂S_12.5O_0.5) and a = 16.1218(16) Å and c = 9.4103(11) Å (Ba₇USi_1.7Fe_0.3S_12.5O_0.5). The crystal structures consist of infinite chains of U atoms octahedrally coordinated through the sharing of O/S corners along the c axis. The M atoms form isolated MS₄ tetrahedra aligned also along the c axis. The space between US₅O and MS₄ polyhedra is filled by Ba atoms.

Original language	English (US)
Pages (from-to)	293-295
Number of pages	3
Journal	Materials Letters
Volume	252
DOIs	https://doi.org/10.1016/j.matlet.2019.05.092
State	Published - Oct 1 2019

Keywords

BaUVSO structure type
Crystal structure
Solid state chemistry
X-ray techniques

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1016/j.matlet.2019.05.092

Cite this

@article{2fffca7a48ae47cfb3c799c5e2d7b96f,

title = "Syntheses and crystal structures of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds",

abstract = "Black single crystals of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba7UV2S12.5O0.5 structure type in space group I4/mcm of the tetragonal system with a = 16.1451(3) {\AA} and c = 9.5310(2) {\AA} (Ba7UTi2S12.5O0.5) and a = 16.1218(16) {\AA} and c = 9.4103(11) {\AA} (Ba7USi1.7Fe0.3S12.5O0.5). The crystal structures consist of infinite chains of U atoms octahedrally coordinated through the sharing of O/S corners along the c axis. The M atoms form isolated MS4 tetrahedra aligned also along the c axis. The space between US5O and MS4 polyhedra is filled by Ba atoms.",

keywords = "BaUVSO structure type, Crystal structure, Solid state chemistry, X-ray techniques",

author = "Adel Mesbah and Jai Prakash and Beard, {Jessica C.} and Malliakas, {Christos D.} and Ibers, {James A.}",

note = "Funding Information: Use was made of the IMSERC X-ray Facility at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205); the State of Illinois, and International Institute for Nanotechnology (IIN). Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

month = oct,

day = "1",

doi = "10.1016/j.matlet.2019.05.092",

language = "English (US)",

volume = "252",

pages = "293--295",

journal = "Materials Letters",

issn = "0167-577X",

publisher = "Elsevier",

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T1 - Syntheses and crystal structures of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds

AU - Mesbah, Adel

AU - Prakash, Jai

AU - Beard, Jessica C.

AU - Malliakas, Christos D.

AU - Ibers, James A.

N1 - Funding Information: Use was made of the IMSERC X-ray Facility at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-1542205); the State of Illinois, and International Institute for Nanotechnology (IIN). Publisher Copyright: © 2019 Elsevier B.V.

PY - 2019/10/1

Y1 - 2019/10/1

N2 - Black single crystals of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba7UV2S12.5O0.5 structure type in space group I4/mcm of the tetragonal system with a = 16.1451(3) Å and c = 9.5310(2) Å (Ba7UTi2S12.5O0.5) and a = 16.1218(16) Å and c = 9.4103(11) Å (Ba7USi1.7Fe0.3S12.5O0.5). The crystal structures consist of infinite chains of U atoms octahedrally coordinated through the sharing of O/S corners along the c axis. The M atoms form isolated MS4 tetrahedra aligned also along the c axis. The space between US5O and MS4 polyhedra is filled by Ba atoms.

AB - Black single crystals of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba7UV2S12.5O0.5 structure type in space group I4/mcm of the tetragonal system with a = 16.1451(3) Å and c = 9.5310(2) Å (Ba7UTi2S12.5O0.5) and a = 16.1218(16) Å and c = 9.4103(11) Å (Ba7USi1.7Fe0.3S12.5O0.5). The crystal structures consist of infinite chains of U atoms octahedrally coordinated through the sharing of O/S corners along the c axis. The M atoms form isolated MS4 tetrahedra aligned also along the c axis. The space between US5O and MS4 polyhedra is filled by Ba atoms.

KW - BaUVSO structure type

KW - Crystal structure

KW - Solid state chemistry

KW - X-ray techniques

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Syntheses and crystal structures of the Ba₇UM₂S_12.5O_0.5 (M = Ti, Si/Fe) compounds

Abstract

Keywords

ASJC Scopus subject areas

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CSD 1898480: Experimental Crystal Structure Determination

CSD 1898481: Experimental Crystal Structure Determination

Cite this

Syntheses and crystal structures of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CSD 1898480: Experimental Crystal Structure Determination

CSD 1898481: Experimental Crystal Structure Determination

Cite this

Syntheses and crystal structures of the Ba₇UM₂S_12.5O_0.5 (M = Ti, Si/Fe) compounds