Abstract
The Yb2CuGe6 and Yb3Cu4Ge 4 compounds were synthesized from reaction mixtures using indium as flux. Both powder and single crystal X-ray diffraction data were used to refine the crystal structures. Yb2CuGe6 crystallizes in the monoclinic space group C2/m in the La2AlGe6 type structure. The lattice parameters are a = 8.0011(16) Å, b = 8.1962(16) Å, c = 10.682(2) Å and β = 100.63(3). The crystal structure of Yb2CuGe6 can be described as the intergrowth of fragments Ge dimmers and zig-zag Ge chains. Yb3Cu4Ge4 crystallizes in the orthorhombic space group Immm in the Gd3Cu 4Ge4 type structure. The lattice parameters are a = 4.1302(8) Å, b = 6.5985(13) Å and c = 13.691(3) Å. X-ray absorption near edge spectroscopy (XANES) measurements indicate that Yb in Yb2CuGe6 and Yb3Cu4Ge4 exists as intermediate and trivalent states, respectively. The structural refinement of Yb2CuGe6 is corroborated by total energy calculations within the local density approximation.
| Original language | English |
|---|---|
| Pages (from-to) | 405-411 |
| Number of pages | 7 |
| Journal | Journal of Alloys and Compounds |
| Volume | 589 |
| DOIs | |
| Publication status | Published - Mar 15 2014 |
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Keywords
- Crystal growth
- Crystal structure
- Electronic structure
- Metal flux technique
- Valence
- X-ray diffraction
ASJC Scopus subject areas
- Mechanical Engineering
- Mechanics of Materials
- Materials Chemistry
- Metals and Alloys
Cite this
Crystal structure of Yb2CuGe6 and Yb 3Cu4Ge4 and the valency of ytterbium. / Peter, Sebastian C.; Subbarao, Udumula; Sarkar, Sumanta; Vaitheeswaran, G.; Svane, Axel; Kanatzidis, Mercouri G.
In: Journal of Alloys and Compounds, Vol. 589, 15.03.2014, p. 405-411.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Crystal structure of Yb2CuGe6 and Yb 3Cu4Ge4 and the valency of ytterbium
AU - Peter, Sebastian C.
AU - Subbarao, Udumula
AU - Sarkar, Sumanta
AU - Vaitheeswaran, G.
AU - Svane, Axel
AU - Kanatzidis, Mercouri G
PY - 2014/3/15
Y1 - 2014/3/15
N2 - The Yb2CuGe6 and Yb3Cu4Ge 4 compounds were synthesized from reaction mixtures using indium as flux. Both powder and single crystal X-ray diffraction data were used to refine the crystal structures. Yb2CuGe6 crystallizes in the monoclinic space group C2/m in the La2AlGe6 type structure. The lattice parameters are a = 8.0011(16) Å, b = 8.1962(16) Å, c = 10.682(2) Å and β = 100.63(3). The crystal structure of Yb2CuGe6 can be described as the intergrowth of fragments Ge dimmers and zig-zag Ge chains. Yb3Cu4Ge4 crystallizes in the orthorhombic space group Immm in the Gd3Cu 4Ge4 type structure. The lattice parameters are a = 4.1302(8) Å, b = 6.5985(13) Å and c = 13.691(3) Å. X-ray absorption near edge spectroscopy (XANES) measurements indicate that Yb in Yb2CuGe6 and Yb3Cu4Ge4 exists as intermediate and trivalent states, respectively. The structural refinement of Yb2CuGe6 is corroborated by total energy calculations within the local density approximation.
AB - The Yb2CuGe6 and Yb3Cu4Ge 4 compounds were synthesized from reaction mixtures using indium as flux. Both powder and single crystal X-ray diffraction data were used to refine the crystal structures. Yb2CuGe6 crystallizes in the monoclinic space group C2/m in the La2AlGe6 type structure. The lattice parameters are a = 8.0011(16) Å, b = 8.1962(16) Å, c = 10.682(2) Å and β = 100.63(3). The crystal structure of Yb2CuGe6 can be described as the intergrowth of fragments Ge dimmers and zig-zag Ge chains. Yb3Cu4Ge4 crystallizes in the orthorhombic space group Immm in the Gd3Cu 4Ge4 type structure. The lattice parameters are a = 4.1302(8) Å, b = 6.5985(13) Å and c = 13.691(3) Å. X-ray absorption near edge spectroscopy (XANES) measurements indicate that Yb in Yb2CuGe6 and Yb3Cu4Ge4 exists as intermediate and trivalent states, respectively. The structural refinement of Yb2CuGe6 is corroborated by total energy calculations within the local density approximation.
KW - Crystal growth
KW - Crystal structure
KW - Electronic structure
KW - Metal flux technique
KW - Valence
KW - X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=84897673917&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84897673917&partnerID=8YFLogxK
U2 - 10.1016/j.jallcom.2013.11.224
DO - 10.1016/j.jallcom.2013.11.224
M3 - Article
VL - 589
SP - 405
EP - 411
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
SN - 0925-8388
ER -