Synthesis and Investigation of Tin(II) Pyrophosphate Sn2P2O7
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- 作者：Victoria V. Chernaya ; Alexander S. Mitiaev ; Pavel S. Chizhov ; Evgeny V. Dikarev ; Roman V. Shpanchenko ; Evgeny V. Antipov ; Mikhail V. Korolenko ; and Pavel B. Fabritchnyi
- 刊名：Chemistry of Materials
- 出版年：2005
- 出版时间：January 25, 2005
- 年：2005
- 卷：17
- 期：2
- 页码：284 - 290
- 全文大小：334K
- 年卷期：v.17,no.2(January 25, 2005)
- ISSN：1520-5002
文摘
The structural investigation of Sn2P2O7 was carried out for the first time by means of single crystaland powder X-ray diffraction. The crystal structure of 
-Sn2P2O7 pyrophosphate was solved usingsingle-crystal X-ray data at room temperature and at 93 K. At room temperature the structure (triclinic,P
, a = 5.2776(5) Å, b = 11.5413(12) Å, c = 11.6360(12) Å, 
= 102.911(8)
, = 99.303(8), 
=98.899(8), V = 668.2(3) Å3, Z = 4) contains the [P2O7]4- pyrophosphate groups oriented in mutuallyperpendicular directions with tin atoms situated in large structural interstices. This structure remainsintact at low temperatures. The Sn2P2O7 undergoes a reversible structural transition at 623 K found bythermal analysis which is accompanied by increase of the unit cell symmetry to monoclinic. The crystalstructure of the high temperature -Sn2P2O7 form was solved using high-temperature powder diffractiondata collected at 773 K. The structural motif of the high temperature form (monoclinic, P21/n, a =7.1765(4) Å, b = 9.2874(6) Å, c = 5.2968(4) Å, = 106.034(3), V = 339.30(5) Å3, Z = 2) is closelyrelated to the room temperature modification. The stereochemically active lone pairs of the tin atomswere localized with the ELF calculations for both polymorph modifications. In addition, the electronicstate of tin was characterized using 119Sn Mössbauer spectroscopy.
-Sn2P2O7 pyrophosphate was solved usingsingle-crystal X-ray data at room temperature and at 93 K. At room temperature the structure (triclinic,P, a = 5.2776(5) Å, b = 11.5413(12) Å, c = 11.6360(12) Å, = 102.911(8), = 99.303(8), =98.899(8), V = 668.2(3) Å3, Z = 4) contains the [P2O7]4- pyrophosphate groups oriented in mutuallyperpendicular directions with tin atoms situated in large structural interstices. This structure remainsintact at low temperatures. The Sn2P2O7 undergoes a reversible structural transition at 623 K found bythermal analysis which is accompanied by increase of the unit cell symmetry to monoclinic. The crystalstructure of the high temperature -Sn2P2O7 form was solved using high-temperature powder diffractiondata collected at 773 K. The structural motif of the high temperature form (monoclinic, P21/n, a =7.1765(4) Å, b = 9.2874(6) Å, c = 5.2968(4) Å, = 106.034(3), V = 339.30(5) Å3, Z = 2) is closelyrelated to the room temperature modification. The stereochemically active lone pairs of the tin atomswere localized with the ELF calculations for both polymorph modifications. In addition, the electronicstate of tin was characterized using 119Sn Mössbauer spectroscopy.