DOI: 10.17188/1475751
title: Materials Data on La7Sm(Fe2O5)4 by Materials Project

description: SmLa7(Fe2O5)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sm–O bond distances ranging from 2.04–2.65 Å. In the second Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Sm–O bond distances ranging from 2.08–2.68 Å. In the third Sm3+ site, Sm3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Sm–O bond distances ranging from 2.06–2.75 Å. In the fourth Sm3+ site, Sm3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Sm–O bond distances ranging from 1.51–2.76 Å. There are twenty-eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.15–2.67 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.14–2.71 Å. In the third La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.12–2.71 Å. In the fourth La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.13–2.71 Å. In the fifth La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.16–2.67 Å. In the sixth La3+ site, La3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 2.13–2.70 Å. In the seventh La3+ site, La3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.12–2.78 Å. In the eighth La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.18–2.77 Å. In the ninth La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.16–2.72 Å. In the tenth La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.12–2.76 Å. In the eleventh La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.13–2.75 Å. In the twelfth La3+ site, La3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.11–2.76 Å. In the thirteenth La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.25–2.73 Å. In the fourteenth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.57–2.85 Å. In the fifteenth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.57–2.90 Å. In the sixteenth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.57–2.88 Å. In the seventeenth La3+ site, La3+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.85 Å. In the eighteenth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.58–2.84 Å. In the nineteenth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.92 Å. In the twentieth La3+ site, La3+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.88 Å. In the twenty-first La3+ site, La3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.55–2.27 Å. In the twenty-second La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.55–2.24 Å. In the twenty-third La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.57–2.26 Å. In the twenty-fourth La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.53–2.24 Å. In the twenty-fifth La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.27 Å. In the twenty-sixth La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.54–2.21 Å. In the twenty-seventh La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.30 Å. In the twenty-eighth La3+ site, La3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of La–O bond distances ranging from 1.56–2.20 Å. There are thirty-two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.65–2.10 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.70–2.07 Å. In the third Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.62–2.07 Å. In the fourth Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.70–2.07 Å. In the fifth Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.66–2.08 Å. In the sixth Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.70–2.07 Å. In the seventh Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.71–2.10 Å. In the eighth Fe2+ site, Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 1.69–2.07 Å. In the ninth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.11–2.77 Å. In the tenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.11–2.41 Å. In the eleventh Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.07–2.78 Å. In the twelfth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.10–2.40 Å. In the thirteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Fe–O bond distances ranging from 2.09–2.79 Å. In the fourteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.10–2.42 Å. In the fifteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.73 Å. In the sixteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.10–2.41 Å. In the seventeenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.14–2.50 Å. In the eighteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.14–2.53 Å. In the nineteenth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.09–2.44 Å. In the twentieth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.53 Å. In the twenty-first Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.50 Å. In the twenty-second Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.14–2.50 Å. In the twenty-third Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.10–2.47 Å. In the twenty-fourth Fe2+ site, Fe2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.07–2.53 Å. In the twenty-fifth Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.18 Å. In the twenty-sixth Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 1.96–2.18 Å. In the twenty-seventh Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.03–2.15 Å. In the twenty-eighth Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.00–2.17 Å. In the twenty-ninth Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.03–2.18 Å. In the thirtieth Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 1.96–2.24 Å. In the thirty-first Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.02–2.20 Å. In the thirty-second Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Fe–O bond distances ranging from 2.00–2.16 Å. There are eighty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Fe2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and two Fe2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Fe2+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Sm3+, one La3+, and two Fe2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Fe2+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Sm3+, one La3+, and two Fe2+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Fe2+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and two Fe2+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ and one O2- atom. The O–O bond length is 1.98 Å. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ and one O2- atom. The O–O bond length is 1.98 Å. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ and one O2- atom. The O–O bond length is 1.95 Å. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry