Improved synthesis and characterization of the copper Lyonsite-type compound Cu4-xMo3O12

Adam D. Raw; James A. Ibers; Kenneth R. Poeppelmeier

doi:10.1016/j.jssc.2013.01.017

Improved synthesis and characterization of the copper Lyonsite-type compound Cu_4-xMo₃O₁₂

Adam D. Raw, James A. Ibers, Kenneth R. Poeppelmeier^*

^*Corresponding author for this work

Chemistry

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

2 Scopus citations

Abstract

A novel method involving a molten Ga flux for the synthesis of diffraction quality crystals of the compound Cu_3.82(1)Mo₃O ₁₂, a copper molybdate in the Lyonsite (α-Cu₃Fe ₄(VO₄)₆) family, has been developed. Single-crystal X-ray diffraction data have been collected. Cu _3.82(1)Mo₃O₁₂ crystallizes in the space group P2₁2₁2₁ with cell dimensions of a=4.9972(1) Å, b=11.0259(3) Å, and c=17.4912(5) Å. Refinement of the resulting structure has enabled modeling of disorder in the channels of the structure and has indicated the localization of copper vacancies to these channel positions. Thermopower measurements indicate that Cu _3.82(1)Mo₃O₁₂ is a rare and interesting example of a cation-deficient n-type material.

Original language	English (US)
Pages (from-to)	165-169
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	200
DOIs	https://doi.org/10.1016/j.jssc.2013.01.017
State	Published - Apr 2013

Keywords

Copper molybdate
Ga flux synthesis
Lyonsite
Thermopower measurements
X-ray crystal structure

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/j.jssc.2013.01.017

Cite this

@article{680c6c43c67c405a88e48c5cba735247,

title = "Improved synthesis and characterization of the copper Lyonsite-type compound Cu4-xMo3O12",

abstract = "A novel method involving a molten Ga flux for the synthesis of diffraction quality crystals of the compound Cu3.82(1)Mo3O 12, a copper molybdate in the Lyonsite (α-Cu3Fe 4(VO4)6) family, has been developed. Single-crystal X-ray diffraction data have been collected. Cu 3.82(1)Mo3O12 crystallizes in the space group P212121 with cell dimensions of a=4.9972(1) {\AA}, b=11.0259(3) {\AA}, and c=17.4912(5) {\AA}. Refinement of the resulting structure has enabled modeling of disorder in the channels of the structure and has indicated the localization of copper vacancies to these channel positions. Thermopower measurements indicate that Cu 3.82(1)Mo3O12 is a rare and interesting example of a cation-deficient n-type material.",

keywords = "Copper molybdate, Ga flux synthesis, Lyonsite, Thermopower measurements, X-ray crystal structure",

author = "Raw, {Adam D.} and Ibers, {James A.} and Poeppelmeier, {Kenneth R.}",

note = "Funding Information: This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under contract no. De-AC36-08GO28308 to NREL. The Center for Inverse Design is a DOE Energy Frontier Research Center. Funding for this research was also kindly provided by the U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division and Division of Materials Science and Engineering Grant ER-15522 (JAI). SEM analyses were conducted in the Electron Probe Instrumentation Center (EPIC) at the Northwestern University Atomic and Nanoscale Characterization Experimental (NUANCE) Center, supported by NSF-NSEC, NSF-MRSEC, Keck Foundation, the State of Illinois, and Northwestern University. Single-crystal data were collected at the IMSERC X-ray Facility at Northwestern University, supported by the International Institute of Nanotechnology (IIN). ",

year = "2013",

month = apr,

doi = "10.1016/j.jssc.2013.01.017",

language = "English (US)",

volume = "200",

pages = "165--169",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

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TY - JOUR

T1 - Improved synthesis and characterization of the copper Lyonsite-type compound Cu4-xMo3O12

AU - Raw, Adam D.

AU - Ibers, James A.

AU - Poeppelmeier, Kenneth R.

N1 - Funding Information: This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under contract no. De-AC36-08GO28308 to NREL. The Center for Inverse Design is a DOE Energy Frontier Research Center. Funding for this research was also kindly provided by the U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division and Division of Materials Science and Engineering Grant ER-15522 (JAI). SEM analyses were conducted in the Electron Probe Instrumentation Center (EPIC) at the Northwestern University Atomic and Nanoscale Characterization Experimental (NUANCE) Center, supported by NSF-NSEC, NSF-MRSEC, Keck Foundation, the State of Illinois, and Northwestern University. Single-crystal data were collected at the IMSERC X-ray Facility at Northwestern University, supported by the International Institute of Nanotechnology (IIN).

PY - 2013/4

Y1 - 2013/4

N2 - A novel method involving a molten Ga flux for the synthesis of diffraction quality crystals of the compound Cu3.82(1)Mo3O 12, a copper molybdate in the Lyonsite (α-Cu3Fe 4(VO4)6) family, has been developed. Single-crystal X-ray diffraction data have been collected. Cu 3.82(1)Mo3O12 crystallizes in the space group P212121 with cell dimensions of a=4.9972(1) Å, b=11.0259(3) Å, and c=17.4912(5) Å. Refinement of the resulting structure has enabled modeling of disorder in the channels of the structure and has indicated the localization of copper vacancies to these channel positions. Thermopower measurements indicate that Cu 3.82(1)Mo3O12 is a rare and interesting example of a cation-deficient n-type material.

AB - A novel method involving a molten Ga flux for the synthesis of diffraction quality crystals of the compound Cu3.82(1)Mo3O 12, a copper molybdate in the Lyonsite (α-Cu3Fe 4(VO4)6) family, has been developed. Single-crystal X-ray diffraction data have been collected. Cu 3.82(1)Mo3O12 crystallizes in the space group P212121 with cell dimensions of a=4.9972(1) Å, b=11.0259(3) Å, and c=17.4912(5) Å. Refinement of the resulting structure has enabled modeling of disorder in the channels of the structure and has indicated the localization of copper vacancies to these channel positions. Thermopower measurements indicate that Cu 3.82(1)Mo3O12 is a rare and interesting example of a cation-deficient n-type material.

KW - Copper molybdate

KW - Ga flux synthesis

KW - Lyonsite

KW - Thermopower measurements

KW - X-ray crystal structure

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