Abstract
Crystal structure analysis of a mixed crystal Rb1-xTl xH2PO4 (x = 0.5) was performed at room temperature by neutron diffraction on a high-quality single crystal grown from aqueous solution. RbH2PO4 (RDP) and TlH2PO 4 (TDP) show distinct crystal structures despite the same ionic radii of Rb and Tl. The crystal structure of Rb0.5Tl0.5H 2PO4 is isotypic to TDP showing disordered H atoms in the O⋯H⋯O hydrogen bonds. The lone-pair electrons of Tl+ ions are believed to stabilize the two-dimensional network of hydrogen bonded PO4-groups. In contrast to the case of TDP, Rb0.5Tl 0.5H2PO4 shows no phase transition at low temperatures despite the disordered character, with a strengthening of two hydrogen bonds as indicated by shorter O⋯O distances and greater O⋯H⋯O bond angles.
| Original language | English |
|---|---|
| Article number | 094602 |
| Journal | Journal of the Physical Society of Japan |
| Volume | 77 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 2008 Sep 1 |
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Keywords
- Crystal structure
- Hydrogen bonding
- Inorganic compounds
- Neutron diffraction
- RDP
- TDP
ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Neutron diffraction study of a Rb0.5Tl0.5H 2PO4 single crystal. / Oh, In Hwan; Mattauch, Stefan; Heger, Gernot; Lee, Cheol Eui.
In: Journal of the Physical Society of Japan, Vol. 77, No. 9, 094602, 01.09.2008.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Neutron diffraction study of a Rb0.5Tl0.5H 2PO4 single crystal
AU - Oh, In Hwan
AU - Mattauch, Stefan
AU - Heger, Gernot
AU - Lee, Cheol Eui
PY - 2008/9/1
Y1 - 2008/9/1
N2 - Crystal structure analysis of a mixed crystal Rb1-xTl xH2PO4 (x = 0.5) was performed at room temperature by neutron diffraction on a high-quality single crystal grown from aqueous solution. RbH2PO4 (RDP) and TlH2PO 4 (TDP) show distinct crystal structures despite the same ionic radii of Rb and Tl. The crystal structure of Rb0.5Tl0.5H 2PO4 is isotypic to TDP showing disordered H atoms in the O⋯H⋯O hydrogen bonds. The lone-pair electrons of Tl+ ions are believed to stabilize the two-dimensional network of hydrogen bonded PO4-groups. In contrast to the case of TDP, Rb0.5Tl 0.5H2PO4 shows no phase transition at low temperatures despite the disordered character, with a strengthening of two hydrogen bonds as indicated by shorter O⋯O distances and greater O⋯H⋯O bond angles.
AB - Crystal structure analysis of a mixed crystal Rb1-xTl xH2PO4 (x = 0.5) was performed at room temperature by neutron diffraction on a high-quality single crystal grown from aqueous solution. RbH2PO4 (RDP) and TlH2PO 4 (TDP) show distinct crystal structures despite the same ionic radii of Rb and Tl. The crystal structure of Rb0.5Tl0.5H 2PO4 is isotypic to TDP showing disordered H atoms in the O⋯H⋯O hydrogen bonds. The lone-pair electrons of Tl+ ions are believed to stabilize the two-dimensional network of hydrogen bonded PO4-groups. In contrast to the case of TDP, Rb0.5Tl 0.5H2PO4 shows no phase transition at low temperatures despite the disordered character, with a strengthening of two hydrogen bonds as indicated by shorter O⋯O distances and greater O⋯H⋯O bond angles.
KW - Crystal structure
KW - Hydrogen bonding
KW - Inorganic compounds
KW - Neutron diffraction
KW - RDP
KW - TDP
UR - http://www.scopus.com/inward/record.url?scp=54349117243&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=54349117243&partnerID=8YFLogxK
U2 - 10.1143/JPSJ.77.094602
DO - 10.1143/JPSJ.77.094602
M3 - Article
AN - SCOPUS:54349117243
VL - 77
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - 9
M1 - 094602
ER -