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The double nitride \u03b1\u2010BP<jats:sub>3<\/jats:sub>N<jats:sub>6<\/jats:sub> was investigated by in\u2005situ single\u2010crystal X\u2010ray diffraction (XRD) upon cold compression to a maximum pressure of about 42\u2005GPa, and its isothermal bulk modulus at ambient conditions was determined to be 146(6)\u2005GPa. At maximum pressure the sample was laser\u2010heated, which resulted in the formation of an unprecedented high\u2010pressure polymorph, \u03b2\u2010BP<jats:sub>3<\/jats:sub>N<jats:sub>6<\/jats:sub>. Its structure was elucidated by single\u2010crystal XRD, and can be described as a decoration of a distorted hexagonal close packing of N with B in tetrahedral and P in octahedral voids. Hence, \u03b2\u2010BP<jats:sub>3<\/jats:sub>N<jats:sub>6<\/jats:sub> is the first nitride to contain PN<jats:sub>6<\/jats:sub> octahedra, representing the much sought\u2010after proof of principle for sixfold N\u2010coordinated P that has been predicted for numerous high\u2010pressure phases of nitrides.<\/jats:p>","DOI":"10.1002\/anie.201902845","type":"journal-article","created":{"date-parts":[[2019,4,25]],"date-time":"2019-04-25T10:05:25Z","timestamp":1556186725000},"page":"9060-9063","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":21,"title":["Boron Phosphorus Nitride at Extremes: PN<sub>6<\/sub> Octahedra in the High\u2010Pressure Polymorph \u03b2\u2010BP<sub>3<\/sub>N<sub>6<\/sub>"],"prefix":"10.1002","volume":"58","author":[{"given":"Sebastian","family":"Vogel","sequence":"first","affiliation":[{"name":"Department of Chemistry University of Munich (LMU)  Butenandtstra\u00dfe 5\u201313 81377 Munich 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information on the crystal data of \u03b1-BP3N6from pressure-dependent single-crystal XRD refinement is provided in the Supporting Information. CCDC\u20051898716 1898717 1898718 1898720 1898721 1898722 1898723 and 1898724contain the supplementary crystallographic data for this paper. These data can be obtained free of charge fromThe Cambridge Crystallographic Data Centre."},{"key":"e_1_2_2_57_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms14235"},{"key":"e_1_2_2_58_1","unstructured":"Crystal data of \u03b2-BP3N6from single-crystal XRD refinement at 42.4(1)\u2005GPa:M=187.78\u2005g\u2009mol\u22121 orthorhombic Pna21(no. 33) a=8.6666(10) b=7.411(4) andc=4.0115(4)\u2005\u00c5 V=257.65(14)\u2005\u00c53 Z=4 \u03c1=4.841\u2005g\u2009cm\u22123 \u03bc=0.217\u2005cm\u22121 synchrotron radiation (\u03bb=0.28940\u2005\u00c5 DESY PETRAIII P02.2) T=293\u2005K 1265 observed reflections 771 independent reflections 41 parameters Rint=0.0653 R\u03c3=0.0617 R1=0.0794 wR2=0.2114 GoF=1.121 residual electron density 1.614 \u22122.431\u2005e\u2009\u00c5\u22123. CCDC\u20051898722 and 1898719(\u03b2-BP3N6at 42.4(1)\u2005GPa \u03b2-BP3N6at ambient pressure) contain the supplementary crystallographic data for this paper. 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