CH3NH3PbI3: precise structural consequences of water absorption at ambient conditions
Identifieur interne : 000075 ( France/Analysis ); précédent : 000074; suivant : 000076CH3NH3PbI3: precise structural consequences of water absorption at ambient conditions
Auteurs : Alla Arakcheeva [Suisse] ; Dmitry Chernyshov [France, Suisse] ; Massimo Spina [Suisse] ; Lászl Forr [Suisse] ; Endre Horváth [Suisse]Source :
- Acta Crystallographica Section B [ 2052-5206 ] ; 2016-10-01.
Abstract
The crystal structure of the pristine (I) and aged (II) crystals of CH3NH3PbI3 (hereafter MAPbI3) hybrid organic–inorganic lead iodide has been studied at 293 K with high‐precision single‐crystal X‐ray diffraction using a synchrotron light source. We show that (I) and (II) are characterized by an identical tetragonal unit cell but different space groups: I422 for (I) and P42212 for (II). Both space groups are subgroups of I4/mcm, which is widely used for MAPbI3. The main difference between (I) and (II) comes from the difference in hydrogen bonds between the MA+ cation and the PbI3 framework which is the direct consequence of H2O insertion in the aged crystal (II).
Structure, symmetry and hydrogen bonds have been determined for pristine and aged tetragonal CH3NH3PbI3 crystals upon H2O absorption from air at room temperature. Single‐crystal X‐ray diffraction data obtained on a synchrotron light source was used for the study. H2O insertion into the structure changes hydrogen bonds and, consequently, the space group from I422 (pristine crystal) to P42212 (aged crystal).
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DOI: 10.1107/S2052520616010428
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level="j" type="alt">ACTA CRYSTALLOGRAPHICA SECTION B</title><idno type="ISSN">2052-5206</idno><idno type="eISSN">2052-5206</idno><imprint><biblScope unit="vol">72</biblScope><biblScope unit="issue">5</biblScope><biblScope unit="page" from="716">716</biblScope><biblScope unit="page" to="722">722</biblScope><biblScope unit="page-count">6</biblScope><publisher>International Union of Crystallography</publisher><pubPlace>5 Abbey Square, Chester, Cheshire CH1 2HU, England</pubPlace><date type="published" when="2016-10-01">2016-10-01</date></imprint><idno type="ISSN">2052-5206</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">2052-5206</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract">The crystal structure of the pristine (I) and aged (II) crystals of CH3NH3PbI3 (hereafter MAPbI3) hybrid organic–inorganic lead iodide has been studied at 293 K with high‐precision single‐crystal X‐ray diffraction using a synchrotron light source. We show that (I) and (II) are characterized by an identical tetragonal unit cell but different space groups: I422 for (I) and P42212 for (II). Both space groups are subgroups of I4/mcm, which is widely used for MAPbI3. The main difference between (I) and (II) comes from the difference in hydrogen bonds between the MA+ cation and the PbI3 framework which is the direct consequence of H2O insertion in the aged crystal (II).</div><div type="abstract" xml:lang="en">Structure, symmetry and hydrogen bonds have been determined for pristine and aged tetragonal CH3NH3PbI3 crystals upon H2O absorption from air at room temperature. Single‐crystal X‐ray diffraction data obtained on a synchrotron light source was used for the study. H2O insertion into the structure changes hydrogen bonds and, consequently, the space group from I422 (pristine crystal) to P42212 (aged crystal).</div></front></TEI><affiliations><list><country><li>France</li><li>Suisse</li></country><region><li>Auvergne-Rhône-Alpes</li><li>Rhône-Alpes</li></region><settlement><li>CEDEX 9</li></settlement></list><tree><country name="Suisse"><noRegion><name sortKey="Arakcheeva, Alla" sort="Arakcheeva, Alla" uniqKey="Arakcheeva A" first="Alla" last="Arakcheeva">Alla Arakcheeva</name></noRegion><name sortKey="Arakcheeva, Alla" sort="Arakcheeva, Alla" uniqKey="Arakcheeva A" first="Alla" last="Arakcheeva">Alla Arakcheeva</name><name sortKey="Arakcheeva, Alla" sort="Arakcheeva, Alla" uniqKey="Arakcheeva A" first="Alla" last="Arakcheeva">Alla Arakcheeva</name><name sortKey="Chernyshov, Dmitry" sort="Chernyshov, Dmitry" uniqKey="Chernyshov D" first="Dmitry" last="Chernyshov">Dmitry Chernyshov</name><name sortKey="Forr, Laszl" sort="Forr, Laszl" uniqKey="Forr L" first="Lászl" last="Forr">Lászl Forr</name><name sortKey="Forr, Laszl" sort="Forr, Laszl" uniqKey="Forr L" first="Lászl" last="Forr">Lászl Forr</name><name sortKey="Forr, Laszl" sort="Forr, Laszl" uniqKey="Forr L" first="Lászl" last="Forr">Lászl Forr</name><name sortKey="Horvath, Endre" sort="Horvath, Endre" uniqKey="Horvath E" first="Endre" last="Horváth">Endre Horváth</name><name sortKey="Horvath, Endre" sort="Horvath, Endre" uniqKey="Horvath E" first="Endre" last="Horváth">Endre Horváth</name><name sortKey="Horvath, Endre" sort="Horvath, Endre" uniqKey="Horvath E" first="Endre" last="Horváth">Endre Horváth</name><name sortKey="Spina, Massimo" sort="Spina, Massimo" uniqKey="Spina M" first="Massimo" last="Spina">Massimo Spina</name></country><country name="France"><region name="Auvergne-Rhône-Alpes"><name sortKey="Chernyshov, Dmitry" sort="Chernyshov, Dmitry" uniqKey="Chernyshov D" first="Dmitry" last="Chernyshov">Dmitry Chernyshov</name></region><name sortKey="Chernyshov, Dmitry" sort="Chernyshov, Dmitry" uniqKey="Chernyshov D" first="Dmitry" last="Chernyshov">Dmitry Chernyshov</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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