Materials Data on U12O19 by Materials Project

Abstract

U12O19 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are twelve inequivalent U+3.17+ sites. In the first U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.41 Å. In the second U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.21–2.29 Å. In the third U+3.17+ site, U+3.17+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.50 Å. In the fourth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.23–2.29 Å. In the fifth U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.41 Å. In the sixth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.20–2.29 Å. In the seventh U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.42 Å. In the eighth U+3.17+ site, U+3.17+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.51 Å. In the ninth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.20–2.29 Å. In the tenth U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.44 Å. In the eleventh U+3.17+ site, U+3.17+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.42 Å. In the twelfth U+3.17+ site, U+3.17+ is bonded to five O2- atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 2.21–2.30 Å. There are nineteen inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the ninth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the tenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twelfth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four U+3.17+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.