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Title: Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials

Abstract

Polar crystals provide an interesting avenue for materials research both in the structures they form and the properties they possess. This work describes the hydrothermal synthesis and structural characterization of three novel silicate fluorides. Compound (1), LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2} crystallizes in space group C2/c, with a=17.651(4) A, b=4.8868(10) A, c=11.625(2) A and {beta}=131.13(3) Degree-Sign . BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} (2) crystallizes in space group P-1, with a=5.1576(10) A, b=6.8389(14) A, c=11.786(2) A, {alpha}=93.02(3) Degree-Sign , {beta}=102.05(3) Degree-Sign and {gamma}=111.55(3) Degree-Sign . Finally, the structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} (3) was determined in the polar orthorhombic space group Pba2, having unit cell parameters a=8.8864(18) A, b=12.764(3) A and c=5.0843(10) A. The structures are compared based on their building blocks and long range polarities. Aligned silicate tetrahedra segregated into a single layer in (3) impart the observed polarity. - Graphical abstract: The polar structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5}. Highlights: Black-Right-Pointing-Pointer Natural yttrium silicate fluoride minerals are briefly reviewed. Black-Right-Pointing-Pointer The synthesis and structures of LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2}, BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} and Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} are discussed. Black-Right-Pointing-Pointer Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} crystallizes in themore » polar space group Pba2. Black-Right-Pointing-Pointer Polarity occurs primarily through aligned silicate tetrahedra in a segregated layer.« less

Authors:
 [1];  [2];  [1];  [1]
  1. Department of Chemistry and Center for Optical Materials Science and Engineering Technologies (COMSET), Clemson University, 485 H.L. Hunter Laboratories, Clemson, SC 29634 (United States)
  2. Department of Chemistry, Izmir Institute of Technology, Gulbahce koyu, Urla, Izmir 35430 (Turkey)
Publication Date:
OSTI Identifier:
22149899
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 195; Other Information: Copyright (c) 2012 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; FLUORIDES; HYDROTHERMAL SYNTHESIS; LAYERS; MONOCLINIC LATTICES; MONOCRYSTALS; ORTHORHOMBIC LATTICES; RARE EARTHS; SILICON OXIDES; SPACE GROUPS; YTTRIUM SILICATES

Citation Formats

McMillen, Colin D., E-mail: cmcmill@clemson.edu, Emirdag-Eanes, Mehtap, E-mail: mehtapemirdag@iyte.edu.tr, Stritzinger, Jared T., E-mail: jstritz@clemson.edu, and Kolis, Joseph W., E-mail: kjoseph@clemson.edu. Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials. United States: N. p., 2012. Web. doi:10.1016/J.JSSC.2012.02.057.
McMillen, Colin D., E-mail: cmcmill@clemson.edu, Emirdag-Eanes, Mehtap, E-mail: mehtapemirdag@iyte.edu.tr, Stritzinger, Jared T., E-mail: jstritz@clemson.edu, & Kolis, Joseph W., E-mail: kjoseph@clemson.edu. Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials. United States. doi:10.1016/J.JSSC.2012.02.057.
McMillen, Colin D., E-mail: cmcmill@clemson.edu, Emirdag-Eanes, Mehtap, E-mail: mehtapemirdag@iyte.edu.tr, Stritzinger, Jared T., E-mail: jstritz@clemson.edu, and Kolis, Joseph W., E-mail: kjoseph@clemson.edu. Thu . "Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials". United States. doi:10.1016/J.JSSC.2012.02.057.
@article{osti_22149899,
title = {Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials},
author = {McMillen, Colin D., E-mail: cmcmill@clemson.edu and Emirdag-Eanes, Mehtap, E-mail: mehtapemirdag@iyte.edu.tr and Stritzinger, Jared T., E-mail: jstritz@clemson.edu and Kolis, Joseph W., E-mail: kjoseph@clemson.edu},
abstractNote = {Polar crystals provide an interesting avenue for materials research both in the structures they form and the properties they possess. This work describes the hydrothermal synthesis and structural characterization of three novel silicate fluorides. Compound (1), LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2} crystallizes in space group C2/c, with a=17.651(4) A, b=4.8868(10) A, c=11.625(2) A and {beta}=131.13(3) Degree-Sign . BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} (2) crystallizes in space group P-1, with a=5.1576(10) A, b=6.8389(14) A, c=11.786(2) A, {alpha}=93.02(3) Degree-Sign , {beta}=102.05(3) Degree-Sign and {gamma}=111.55(3) Degree-Sign . Finally, the structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} (3) was determined in the polar orthorhombic space group Pba2, having unit cell parameters a=8.8864(18) A, b=12.764(3) A and c=5.0843(10) A. The structures are compared based on their building blocks and long range polarities. Aligned silicate tetrahedra segregated into a single layer in (3) impart the observed polarity. - Graphical abstract: The polar structure of Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5}. Highlights: Black-Right-Pointing-Pointer Natural yttrium silicate fluoride minerals are briefly reviewed. Black-Right-Pointing-Pointer The synthesis and structures of LiY{sub 3}(SiO{sub 4}){sub 2}F{sub 2}, BaY{sub 2}(Si{sub 2}O{sub 7})F{sub 2} and Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} are discussed. Black-Right-Pointing-Pointer Ba{sub 2}Y{sub 3}(SiO{sub 4}){sub 2}F{sub 5} crystallizes in the polar space group Pba2. Black-Right-Pointing-Pointer Polarity occurs primarily through aligned silicate tetrahedra in a segregated layer.},
doi = {10.1016/J.JSSC.2012.02.057},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 195,
place = {United States},
year = {2012},
month = {11}
}