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
UR - http://www.scopus.com/inward/record.url?scp=84873717373&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84873717373&partnerID=8YFLogxK
U2 - 10.1016/j.jssc.2013.01.017
DO - 10.1016/j.jssc.2013.01.017
M3 - Article
AN - SCOPUS:84873717373
VL - 200
SP - 165
EP - 169
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
ER -