The Disordered Crystal Structures of Zn(CN)2and Ga(CN)3

D. J. Williams; D. E. Partin; F. J. Lincoln; John Kouvetakis; M. O'Keeffe

doi:10.1006/jssc.1997.7571

The Disordered Crystal Structures of Zn(CN)₂and Ga(CN)₃

D. J. Williams, D. E. Partin, F. J. Lincoln, John Kouvetakis, M. O'Keeffe

Molecular Sciences, School of (SMS)

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

86 Scopus citations

Abstract

The structure of Zn(CN)₂has been reexamined using neutron time-of-flight diffraction and has been determined to have symmetryPn3m,a=5.9227 (1) Å at 14 K and 5.8917 (1) Å at 305 K (negative thermal "expansion"). The CN groups are disordered in contrast to the ordered arrangement with symmetryP43massumed in earlier X-ray diffraction experiments. Zn is tetrahedrally surrounded with average Zn-(C, N)=1.9697(3) and C-N=1.1897(1) Å. Ga(CN)₃has been examined for the first time. X-ray powder diffraction shows it to have a cubic Prussian blue framework structure, symmetryPm3m,a=5.295(2) Å, also with CN disorder. Ga is octahedrally surrounded with average Ga-(C, N) distance=2.072(2) Å and C-N=1.148(1) Å.

Original language	English (US)
Pages (from-to)	164-169
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	134
Issue number	1
DOIs	https://doi.org/10.1006/jssc.1997.7571
State	Published - Nov 15 1997

ASJC Scopus subject areas

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

Access to Document

10.1006/jssc.1997.7571

Cite this

@article{4eef51e29fac45ebb48efea4ecd53b8c,

title = "The Disordered Crystal Structures of Zn(CN)2and Ga(CN)3",

abstract = "The structure of Zn(CN)2has been reexamined using neutron time-of-flight diffraction and has been determined to have symmetryPn3m,a=5.9227 (1) {\AA} at 14 K and 5.8917 (1) {\AA} at 305 K (negative thermal {"}expansion{"}). The CN groups are disordered in contrast to the ordered arrangement with symmetryP43massumed in earlier X-ray diffraction experiments. Zn is tetrahedrally surrounded with average Zn-(C, N)=1.9697(3) and C-N=1.1897(1) {\AA}. Ga(CN)3has been examined for the first time. X-ray powder diffraction shows it to have a cubic Prussian blue framework structure, symmetryPm3m,a=5.295(2) {\AA}, also with CN disorder. Ga is octahedrally surrounded with average Ga-(C, N) distance=2.072(2) {\AA} and C-N=1.148(1) {\AA}.",

author = "Williams, {D. J.} and Partin, {D. E.} and Lincoln, {F. J.} and John Kouvetakis and M. O'Keeffe",

note = "Funding Information: This work was supported by NSF Grants DMR 9458047 (to J.K.) and DMR 94 24445 (to M.O.K.). The X-ray equipment was purchased on NSF Grant DMR-84 06823. M.O.K. acknowledges very helpful correspondence on his X-ray study of the Zn(CN) structure with Dr. B. F. Hoskins at the Department of Inorganic Chemistry,2 University of Melbourne. As so often when analyzing powder diffraction data, we have benefited from advice and insights from Dr. R. B. Von Dreele of Los Alamos National Laboratory.",

year = "1997",

month = nov,

day = "15",

doi = "10.1006/jssc.1997.7571",

language = "English (US)",

volume = "134",

pages = "164--169",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

number = "1",

}

TY - JOUR

T1 - The Disordered Crystal Structures of Zn(CN)2and Ga(CN)3

AU - Williams, D. J.

AU - Partin, D. E.

AU - Lincoln, F. J.

AU - Kouvetakis, John

AU - O'Keeffe, M.

N1 - Funding Information: This work was supported by NSF Grants DMR 9458047 (to J.K.) and DMR 94 24445 (to M.O.K.). The X-ray equipment was purchased on NSF Grant DMR-84 06823. M.O.K. acknowledges very helpful correspondence on his X-ray study of the Zn(CN) structure with Dr. B. F. Hoskins at the Department of Inorganic Chemistry,2 University of Melbourne. As so often when analyzing powder diffraction data, we have benefited from advice and insights from Dr. R. B. Von Dreele of Los Alamos National Laboratory.

PY - 1997/11/15

Y1 - 1997/11/15

N2 - The structure of Zn(CN)2has been reexamined using neutron time-of-flight diffraction and has been determined to have symmetryPn3m,a=5.9227 (1) Å at 14 K and 5.8917 (1) Å at 305 K (negative thermal "expansion"). The CN groups are disordered in contrast to the ordered arrangement with symmetryP43massumed in earlier X-ray diffraction experiments. Zn is tetrahedrally surrounded with average Zn-(C, N)=1.9697(3) and C-N=1.1897(1) Å. Ga(CN)3has been examined for the first time. X-ray powder diffraction shows it to have a cubic Prussian blue framework structure, symmetryPm3m,a=5.295(2) Å, also with CN disorder. Ga is octahedrally surrounded with average Ga-(C, N) distance=2.072(2) Å and C-N=1.148(1) Å.

AB - The structure of Zn(CN)2has been reexamined using neutron time-of-flight diffraction and has been determined to have symmetryPn3m,a=5.9227 (1) Å at 14 K and 5.8917 (1) Å at 305 K (negative thermal "expansion"). The CN groups are disordered in contrast to the ordered arrangement with symmetryP43massumed in earlier X-ray diffraction experiments. Zn is tetrahedrally surrounded with average Zn-(C, N)=1.9697(3) and C-N=1.1897(1) Å. Ga(CN)3has been examined for the first time. X-ray powder diffraction shows it to have a cubic Prussian blue framework structure, symmetryPm3m,a=5.295(2) Å, also with CN disorder. Ga is octahedrally surrounded with average Ga-(C, N) distance=2.072(2) Å and C-N=1.148(1) Å.

UR - http://www.scopus.com/inward/record.url?scp=0000181190&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000181190&partnerID=8YFLogxK

U2 - 10.1006/jssc.1997.7571

DO - 10.1006/jssc.1997.7571

M3 - Article

AN - SCOPUS:0000181190

SN - 0022-4596

VL - 134

SP - 164

EP - 169

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 1

ER -

The Disordered Crystal Structures of Zn(CN)₂and Ga(CN)₃

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this