Abstract
The crystal structure of Gd(CO3)OH was solved using synchrotron powder X-ray diffraction. Gd(CO3)OH was known to exist in a form Gd2O(CO3)2·H2O and its powder pattern has been listed in JCPDF (#430604) for decades, but the crystal structure has not yet been elucidated. The crystal structure is solved with simulated annealing and the DASH program. The final Rietveld refinement converged to Rwp= 6.28%, Rp = 4.47%and χ2= 1.348, using the GSAS program. Gd(CO3)OH crystallizes in orthorhombic system with lattice parameters a = 7.08109(9), b = 4.88436(7), c = 8.45010(13)Å and space group P nma. Gd(CO3)OH forms a three-dimensional framework with an eight-membered ring, a one-dimensional channel and OH- in the cavity. XANES of Gd LIII-edge indicates that the oxidation state of Gd is 3+. Two phase transitions of Gd(CO 3)OH were found at 500 and 650 °C to yield Gd2O 2CO3 and Gd2O3 respectively.
| Original language | English |
|---|---|
| Pages (from-to) | 938-945 |
| Number of pages | 8 |
| Journal | Journal of the Chinese Chemical Society |
| Volume | 57 |
| Issue number | 4 B |
| DOIs | |
| Publication status | Published - 2010 Jan 1 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
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Crystal structure and phase transitions of Gd(CO3)OH studied by synchrotron powder diffraction. / Sheu, Hwo Shuenn; Shih, Wei Ju; Chuang, Wei Tsung; Li, I. Fang; Yeh, Chen-Sheng.
In: Journal of the Chinese Chemical Society, Vol. 57, No. 4 B, 01.01.2010, p. 938-945.Research output: Contribution to journal › Article
TY - JOUR
T1 - Crystal structure and phase transitions of Gd(CO3)OH studied by synchrotron powder diffraction
AU - Sheu, Hwo Shuenn
AU - Shih, Wei Ju
AU - Chuang, Wei Tsung
AU - Li, I. Fang
AU - Yeh, Chen-Sheng
PY - 2010/1/1
Y1 - 2010/1/1
N2 - The crystal structure of Gd(CO3)OH was solved using synchrotron powder X-ray diffraction. Gd(CO3)OH was known to exist in a form Gd2O(CO3)2·H2O and its powder pattern has been listed in JCPDF (#430604) for decades, but the crystal structure has not yet been elucidated. The crystal structure is solved with simulated annealing and the DASH program. The final Rietveld refinement converged to Rwp= 6.28%, Rp = 4.47%and χ2= 1.348, using the GSAS program. Gd(CO3)OH crystallizes in orthorhombic system with lattice parameters a = 7.08109(9), b = 4.88436(7), c = 8.45010(13)Å and space group P nma. Gd(CO3)OH forms a three-dimensional framework with an eight-membered ring, a one-dimensional channel and OH- in the cavity. XANES of Gd LIII-edge indicates that the oxidation state of Gd is 3+. Two phase transitions of Gd(CO 3)OH were found at 500 and 650 °C to yield Gd2O 2CO3 and Gd2O3 respectively.
AB - The crystal structure of Gd(CO3)OH was solved using synchrotron powder X-ray diffraction. Gd(CO3)OH was known to exist in a form Gd2O(CO3)2·H2O and its powder pattern has been listed in JCPDF (#430604) for decades, but the crystal structure has not yet been elucidated. The crystal structure is solved with simulated annealing and the DASH program. The final Rietveld refinement converged to Rwp= 6.28%, Rp = 4.47%and χ2= 1.348, using the GSAS program. Gd(CO3)OH crystallizes in orthorhombic system with lattice parameters a = 7.08109(9), b = 4.88436(7), c = 8.45010(13)Å and space group P nma. Gd(CO3)OH forms a three-dimensional framework with an eight-membered ring, a one-dimensional channel and OH- in the cavity. XANES of Gd LIII-edge indicates that the oxidation state of Gd is 3+. Two phase transitions of Gd(CO 3)OH were found at 500 and 650 °C to yield Gd2O 2CO3 and Gd2O3 respectively.
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U2 - 10.1002/jccs.201000130
DO - 10.1002/jccs.201000130
M3 - Article
VL - 57
SP - 938
EP - 945
JO - Journal of the Chinese Chemical Society
JF - Journal of the Chinese Chemical Society
SN - 0009-4536
IS - 4 B
ER -