Direct observation of V-trimers in the crystal structure of LiVO2
Abstract Although a trimerized ground state has been predicted for LiVO2 for over half a century, the direct determination of its crystal structure in the trimerized phase by X-ray diffraction remains elusive. Depending on the cooling process, two distinct structural modifications have been prepared...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
|
| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-025-01595-y |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849766860384370688 |
|---|---|
| author | S. Yun C.-F. Chang S.-H. Chen C.-Y. Kuo L. H. Tjeng A. C. Komarek |
| author_facet | S. Yun C.-F. Chang S.-H. Chen C.-Y. Kuo L. H. Tjeng A. C. Komarek |
| author_sort | S. Yun |
| collection | DOAJ |
| description | Abstract Although a trimerized ground state has been predicted for LiVO2 for over half a century, the direct determination of its crystal structure in the trimerized phase by X-ray diffraction remains elusive. Depending on the cooling process, two distinct structural modifications have been prepared - LiVO2 with streak-like, smeared-out superstructure reflection intensities and Li0.91VO2 with well-separated superstructure reflection intensities. The discovery of well-separated superstructure reflections in Li0.91VO2 enabled us to solve its crystal structure. This motivated us to attribute the streak-like superstructure reflection intensities in LiVO2 to an overlap of reflections due to a unit cell doubling along the c-axis, which contrasts with the previous interpretation of randomly stacked V trimer layers. The availability of the crystal structure data forms a starting point for the quantitative modeling of the trimerization phenomenon in this complex Mott insulator. |
| format | Article |
| id | doaj-art-fd2cbda23fe14758ababf6e458c2ada5 |
| institution | DOAJ |
| issn | 2399-3669 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj-art-fd2cbda23fe14758ababf6e458c2ada52025-08-20T03:04:26ZengNature PortfolioCommunications Chemistry2399-36692025-07-01811810.1038/s42004-025-01595-yDirect observation of V-trimers in the crystal structure of LiVO2S. Yun0C.-F. Chang1S.-H. Chen2C.-Y. Kuo3L. H. Tjeng4A. C. Komarek5Max-Planck-Institute for Chemical Physics of SolidsMax-Planck-Institute for Chemical Physics of SolidsMax-Planck-Institute for Chemical Physics of SolidsMax-Planck-Institute for Chemical Physics of SolidsMax-Planck-Institute for Chemical Physics of SolidsMax-Planck-Institute for Chemical Physics of SolidsAbstract Although a trimerized ground state has been predicted for LiVO2 for over half a century, the direct determination of its crystal structure in the trimerized phase by X-ray diffraction remains elusive. Depending on the cooling process, two distinct structural modifications have been prepared - LiVO2 with streak-like, smeared-out superstructure reflection intensities and Li0.91VO2 with well-separated superstructure reflection intensities. The discovery of well-separated superstructure reflections in Li0.91VO2 enabled us to solve its crystal structure. This motivated us to attribute the streak-like superstructure reflection intensities in LiVO2 to an overlap of reflections due to a unit cell doubling along the c-axis, which contrasts with the previous interpretation of randomly stacked V trimer layers. The availability of the crystal structure data forms a starting point for the quantitative modeling of the trimerization phenomenon in this complex Mott insulator.https://doi.org/10.1038/s42004-025-01595-y |
| spellingShingle | S. Yun C.-F. Chang S.-H. Chen C.-Y. Kuo L. H. Tjeng A. C. Komarek Direct observation of V-trimers in the crystal structure of LiVO2 Communications Chemistry |
| title | Direct observation of V-trimers in the crystal structure of LiVO2 |
| title_full | Direct observation of V-trimers in the crystal structure of LiVO2 |
| title_fullStr | Direct observation of V-trimers in the crystal structure of LiVO2 |
| title_full_unstemmed | Direct observation of V-trimers in the crystal structure of LiVO2 |
| title_short | Direct observation of V-trimers in the crystal structure of LiVO2 |
| title_sort | direct observation of v trimers in the crystal structure of livo2 |
| url | https://doi.org/10.1038/s42004-025-01595-y |
| work_keys_str_mv | AT syun directobservationofvtrimersinthecrystalstructureoflivo2 AT cfchang directobservationofvtrimersinthecrystalstructureoflivo2 AT shchen directobservationofvtrimersinthecrystalstructureoflivo2 AT cykuo directobservationofvtrimersinthecrystalstructureoflivo2 AT lhtjeng directobservationofvtrimersinthecrystalstructureoflivo2 AT ackomarek directobservationofvtrimersinthecrystalstructureoflivo2 |