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Title: Synthesis and crystal structures of CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12}

Abstract

New compounds CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12} were prepared by heating mixtures of CaCO{sub 3}, Y{sub 2}O{sub 3} and GeO{sub 2} at 1200 deg. C. CaY{sub 2}Ge{sub 3}O{sub 10} is stable at 1300 deg. C, while CaY{sub 2}Ge{sub 4}O{sub 12} decomposes into a melt and CaY{sub 2}Ge{sub 3}O{sub 10} at approximately 1250 deg. C. We obtained single crystals of CaY{sub 2}Ge{sub 3}O{sub 10} by cooling a sample with an initial composition of Ca:Y:Ge=1:2:8 from 1300 deg. C with a rate of -6 deg. C/h. The crystal structure of CaY{sub 2}Ge{sub 3}O{sub 10} was determined by single crystal X-ray diffraction. CaY{sub 2}Ge{sub 3}O{sub 10} crystallizes in the monoclinic space group P2{sub 1}/c with a=6.0906(8), b=6.8329(8), c=18.752(2)A and {beta}=109.140(3){sup o}, Z=4, and R{sub 1}=0.029 for I>2{sigma}(I). In the structure of CaY{sub 2}Ge{sub 3}O{sub 10}, Ca and Y atoms are situated disorderly in three 7-fold coordination sites between isolated germanate groups of triple GeO{sub 4} tetrahedra, Ge{sub 3}O{sub 10}. The structural formula of CaY{sub 2}Ge{sub 3}O{sub 10} is expressed as (Ca{sub 0.45}Y{sub 0.55})(Ca{sub 0.46}Y{sub 0.54})(Ca{sub 0.09}Y{sub 0.91})Ge{sub 3}O{sub 10}. The crystal structure of CaY{sub 2}Ge{sub 4}O{sub 12} was analyzed by the Rietveld method for the X-ray powder diffraction pattern.more » CaY{sub 2}Ge{sub 4}O{sub 12} is isotypic with SrNa{sub 2}P{sub 4}O{sub 12}, crystallizing in the orthorhombic space group P4/nbm, a=9.99282(6), c=5.06701(4)A, Z=2, R{sub wp}=0.092, R{sub p}=0.067. CaY{sub 2}Ge{sub 4}O{sub 12} contains four-membered GeO{sub 4}-tetrahedra rings, Ge{sub 4}O{sub 12}. Eight-fold coordinated square-anitiprism sites and 6-fold octahedral sites between the layers of the Ge{sub 4}O{sub 12} rings are occupied by Y atom and Ca/Y atoms, respectively The structural formula is Y(Ca{sub 0.5}Y{sub 0.5}){sub 2}Ge{sub 4}O{sub 12}.« less

Authors:
 [1];  [1];  [2];  [2];  [3];  [4]
  1. Center for Interdisciplinary Research, Tohoku University, 6-3 Aramaki, Aoba, Aoba-ku, Sendai 980-8578 (Japan)
  2. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)
  3. Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aramaki, Aoba, Aoba-ku, Sendai 980-8578 (Japan)
  4. Akita National College of Technology, 1-1 Bunkyo-cho Iijima, Akita 011-8511 (Japan)
Publication Date:
OSTI Identifier:
20784860
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 179; Journal Issue: 1; Other Information: DOI: 10.1016/j.jssc.2005.10.023; PII: S0022-4596(05)00477-9; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CALCIUM CARBONATES; GERMANATES; GERMANIUM OXIDES; LAYERS; MONOCLINIC LATTICES; MONOCRYSTALS; ORTHORHOMBIC LATTICES; SPACE GROUPS; SYNTHESIS; X-RAY DIFFRACTION; YTTRIUM OXIDES

Citation Formats

Yamane, Hisanori, Tanimura, Ryouji, Yamada, Takahiro, Takahashi, Junichi, Kajiwara, Takashi, and Shimada, Masahiko. Synthesis and crystal structures of CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12}. United States: N. p., 2006. Web. doi:10.1016/j.jssc.2005.10.023.
Yamane, Hisanori, Tanimura, Ryouji, Yamada, Takahiro, Takahashi, Junichi, Kajiwara, Takashi, & Shimada, Masahiko. Synthesis and crystal structures of CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12}. United States. https://doi.org/10.1016/j.jssc.2005.10.023
Yamane, Hisanori, Tanimura, Ryouji, Yamada, Takahiro, Takahashi, Junichi, Kajiwara, Takashi, and Shimada, Masahiko. 2006. "Synthesis and crystal structures of CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12}". United States. https://doi.org/10.1016/j.jssc.2005.10.023.
@article{osti_20784860,
title = {Synthesis and crystal structures of CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12}},
author = {Yamane, Hisanori and Tanimura, Ryouji and Yamada, Takahiro and Takahashi, Junichi and Kajiwara, Takashi and Shimada, Masahiko},
abstractNote = {New compounds CaY{sub 2}Ge{sub 3}O{sub 10} and CaY{sub 2}Ge{sub 4}O{sub 12} were prepared by heating mixtures of CaCO{sub 3}, Y{sub 2}O{sub 3} and GeO{sub 2} at 1200 deg. C. CaY{sub 2}Ge{sub 3}O{sub 10} is stable at 1300 deg. C, while CaY{sub 2}Ge{sub 4}O{sub 12} decomposes into a melt and CaY{sub 2}Ge{sub 3}O{sub 10} at approximately 1250 deg. C. We obtained single crystals of CaY{sub 2}Ge{sub 3}O{sub 10} by cooling a sample with an initial composition of Ca:Y:Ge=1:2:8 from 1300 deg. C with a rate of -6 deg. C/h. The crystal structure of CaY{sub 2}Ge{sub 3}O{sub 10} was determined by single crystal X-ray diffraction. CaY{sub 2}Ge{sub 3}O{sub 10} crystallizes in the monoclinic space group P2{sub 1}/c with a=6.0906(8), b=6.8329(8), c=18.752(2)A and {beta}=109.140(3){sup o}, Z=4, and R{sub 1}=0.029 for I>2{sigma}(I). In the structure of CaY{sub 2}Ge{sub 3}O{sub 10}, Ca and Y atoms are situated disorderly in three 7-fold coordination sites between isolated germanate groups of triple GeO{sub 4} tetrahedra, Ge{sub 3}O{sub 10}. The structural formula of CaY{sub 2}Ge{sub 3}O{sub 10} is expressed as (Ca{sub 0.45}Y{sub 0.55})(Ca{sub 0.46}Y{sub 0.54})(Ca{sub 0.09}Y{sub 0.91})Ge{sub 3}O{sub 10}. The crystal structure of CaY{sub 2}Ge{sub 4}O{sub 12} was analyzed by the Rietveld method for the X-ray powder diffraction pattern. CaY{sub 2}Ge{sub 4}O{sub 12} is isotypic with SrNa{sub 2}P{sub 4}O{sub 12}, crystallizing in the orthorhombic space group P4/nbm, a=9.99282(6), c=5.06701(4)A, Z=2, R{sub wp}=0.092, R{sub p}=0.067. CaY{sub 2}Ge{sub 4}O{sub 12} contains four-membered GeO{sub 4}-tetrahedra rings, Ge{sub 4}O{sub 12}. Eight-fold coordinated square-anitiprism sites and 6-fold octahedral sites between the layers of the Ge{sub 4}O{sub 12} rings are occupied by Y atom and Ca/Y atoms, respectively The structural formula is Y(Ca{sub 0.5}Y{sub 0.5}){sub 2}Ge{sub 4}O{sub 12}.},
doi = {10.1016/j.jssc.2005.10.023},
url = {https://www.osti.gov/biblio/20784860}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 1,
volume = 179,
place = {United States},
year = {Sun Jan 15 00:00:00 EST 2006},
month = {Sun Jan 15 00:00:00 EST 2006}
}