Materials Data on Sr3U6O28 by Materials Project

Abstract

Sr3U6O28 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.72 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.98 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.69 Å. There are six inequivalent U sites. In the first U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the third U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.88–2.67 Å. In the fourth U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.88–2.67 Å. In the fifth U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.23 Å. In the sixth U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.88–2.24 Å. There are twenty-eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Sr and one U atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Sr and one U atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Sr and one U atom. In the seventh O site, O is bonded in a trigonal planar geometry to three U atoms. In the eighth O site, O is bonded in a trigonal planar geometry to three U atoms. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to three U atoms. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to three U atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three U atoms. In the sixteenth O site, O is bonded in a trigonal planar geometry to three U atoms. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.32 Å) O–O bond length. In the eighteenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one O atom. The O–O bond length is 1.32 Å. In the nineteenth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one O atom. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one O atom. The O–O bond length is 1.27 Å. In the twenty-first O site, O is bonded in a single-bond geometry to one O atom. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the twenty-fourth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom. In the twenty-fifth O site, O is bonded in a distorted single-bond geometry to one Sr and one U atom. In the twenty-sixth O site, O is bonded in a distorted trigonal planar geometry to two Sr and one U atom. In the twenty-seventh O site, O is bonded in a 2-coordinate geometry to one Sr and one U atom. In the twenty-eighth O site, O is bonded in a distorted single-bond geometry to two Sr and one U atom.