DOI: 10.17188/1201968
title: Materials Data on FeS by Materials Project

description: FeS is Modderite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the second Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the third Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–66°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the fourth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the fifth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the sixth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the seventh Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the eighth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the ninth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.29–2.81 Å. In the tenth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the eleventh Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–65°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. In the twelfth Fe2+ site, Fe2+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 33–66°. There are a spread of Fe–S bond distances ranging from 2.28–2.81 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the seventh S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the ninth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the tenth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the eleventh S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms.