753 27 4431 2 17640 document 4431 Research_Data_LnReN2.zip application/zip 8ed5a5d6be0e100369658d5f604b2f03 MD5 4339315 2025-12-16 14:54:19 https://data.ub.uni-muenchen.de/753/1/Research_Data_LnReN2.zip 753 1 1 application/zip other Research data for Publication Possible Peierls Distor de public

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accepted 4432 3 17642 document 4432 readme_LnReN2.txt text/plain 6f95c0d476ed4fe0c5186caee025abf9 MD5 6833 2025-12-16 14:55:24 https://data.ub.uni-muenchen.de/753/2/readme_LnReN2.txt 753 2 2 text/plain text/plain README to Research data for Publication Possible Peierls Distor de public

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accepted 4433 1 17646 document 4433 indexcodes.txt text/plain a7a70c749df2c5f2c0d5f46abb253fb6 MD5 2413 2025-12-16 14:56:05 https://data.ub.uni-muenchen.de/753/3/indexcodes.txt 753 3 3 text/plain other Generate index codes conversion from text/plain to indexcodes de public

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http://eprints.org/relation/isVersionOf https://data.ub.uni-muenchen.de/id/document/4432 http://eprints.org/relation/isVolatileVersionOf https://data.ub.uni-muenchen.de/id/document/4432 http://eprints.org/relation/isIndexCodesVersionOf https://data.ub.uni-muenchen.de/id/document/4432 archive 1107 disk0/00/00/07/53 2025-12-16 14:58:16 2025-12-16 14:58:22 2025-12-16 14:58:16 data show Nitride perovskites are a recently opened class of materials with a limited number of stable compounds. Notably anion-vacancy ordered materials such as LaNiO2-type nitrides are rare despite useful properties such as superconductivity reported for analogous oxides. Here, we report the preparation of two LnReN2 (Ln = Pr, Nd) materials with a distorted LaNiO2-type structure at high-pressure high-temperature conditions of a large volume press. Powder X-ray and neutron diffraction show an orthorhombic distortion (o-LnReN2) of the LaNiO2-aristotype structure is caused by buckling of the ReN4/2 layers through Re dimerization. Electronic structure analysis reveals that the o-LnReN2 materials are composed of classic nitridometallate anions and a cationic intermetallic framework. Moreover, the driving force of the Re dimerization likely stems from an electronic instability re-lated to a Peierls-type distortion. We further characterize the magnetic ground state of both materials with magnetization measurements as well as magnetic neutron scattering uncovering a long-range antiferromagnetic order of Nd3+ moments in NdReN2 at TN = 15.5 K. The stability of the compounds are investigated by temperature-dependent powder X-ray diffraction showing decomposition of NdReN2 at ca. 750 °C. The o-LnReN2 materials represent a curious class of nitrides at the border of classic nitridometallates, intermetallics, and low-dimensional complex chemistry. DOI of Publication: 10.1002/anie.202519710 Kloß Simon Steinberg Simon Attfield J. Paul Manuel Pascal Ritter Clemens Werhahn Dominik Buda Amalina 2025-12-15 540 10.5282/ubm/data.753 https://doi.org/10.5282/ubm/data.753 public powder neutron diffraction magnetism solid-state chemistry high-pressure synthesis rietveld refinement en cc-by-sa Kloß Simon https://kloss.cup.uni-muenchen.de/ fak18