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DOE OSTI · 1308022

Materials Data on Sr4P2O by Materials Project

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Abstract

Sr4P2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to five equivalent P3- and one O2- atom. There are one shorter (3.03 Å) and four longer (3.48 Å) Sr–P bond lengths. The Sr–O bond length is 2.82 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted linear geometry to four equivalent P3- and two equivalent O2- atoms. All Sr–P bond lengths are 3.25 Å. Both Sr–O bond lengths are 2.42 Å. P3- is bonded in a 9-coordinate geometry to nine Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureO-P-SrSr4P2O

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2020-07-16. Materials Data on Sr4P2O by Materials Project. https://doi.org/10.17188/1308022

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