Materials Data on Sr8La3(RuO7)3 by Materials Project
Sr8La3(RuO7)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.71 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–3.09 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–3.20 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.70 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.06 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.97 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–3.22 Å. In the eighth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.12 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 10-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.98 Å. In the second La3+ site, La3+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.89 Å. In the third La3+ site, La3+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.16–3.00 Å. There are three inequivalent Ru+5.67+ sites. In the first Ru+5.67+ site, Ru+5.67+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ru–O bond distances ranging from 1.93–2.00 Å. In the second Ru+5.67+ site, Ru+5.67+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ru–O bond distances ranging from 1.90–2.01 Å. In the third Ru+5.67+ site, Ru+5.67+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ru–O bond distances ranging from 1.95–1.99 Å. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four Sr2+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one La3+, and one Ru+5.67+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Ru+5.67+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Ru+5.67+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Ru+5.67+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one La3+, and one Ru+5.67+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Ru+5.67+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and two La3+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one La3+, and one Ru+5.67+ atom. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru+5.67+ atom. In the fourteenth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the fifteenth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the sixteenth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the seventeenth O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent La3+, and one Ru+5.67+ atom. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+ and one La3+ atom. In the nineteenth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom. In the twenty-first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ru+5.67+ atom.