Materials Data on Mn2Ge3Pd4 by Materials Project

Abstract

Mn2Pd4Ge3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.78–2.83 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.79–2.83 Å. There are two shorter (2.70 Å) and two longer (2.73 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.77–2.84 Å. All Mn–Ge bond lengths are 2.72 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.78–2.84 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four equivalent Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.78–2.84 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Ge bond lengths. In the sixth Mn site, Mn is bonded in a 10-coordinate geometry to six Pd and four Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.78–2.84 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 11-coordinate geometry to six Pd and five Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.95–3.04 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.71 Å. In the eighth Mn site, Mn is bonded in a 11-coordinate geometry to six Pd and five Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.95–3.04 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.71 Å. There are twenty-two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. Both Pd–Mn bond lengths are 2.78 Å. There are a spread of Pd–Ge bond distances ranging from 2.55–2.58 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.58 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. Both Pd–Mn bond lengths are 2.95 Å. There are a spread of Pd–Ge bond distances ranging from 2.55–2.59 Å. In the fourth Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the fifth Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.58 Å. In the sixth Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four Ge atoms. Both Pd–Mn bond lengths are 2.78 Å. There are a spread of Pd–Ge bond distances ranging from 2.55–2.58 Å. In the seventh Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to six Mn and four Ge atoms. Both Pd–Mn bond lengths are 3.04 Å. There are a spread of Pd–Ge bond distances ranging from 2.57–2.61 Å. In the ninth Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.61 Å. In the tenth Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. There are two shorter (2.80 Å) and two longer (2.84 Å) Pd–Mn bond lengths. There are a spread of Pd–Ge bond distances ranging from 2.58–2.61 Å. In the eleventh Pd site, Pd is bonded in a 10-coordinate geometry to six Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.61 Å. In the twelfth Pd site, Pd is bonded in a 10-coordinate geometry to six Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.61 Å. In the thirteenth Pd site, Pd is bonded in a 10-coordinate geometry to six Mn and four Ge atoms. There are a spread of Pd–Mn bond distances ranging from 2.81–3.04 Å. There are a spread of Pd–Ge bond distances ranging from 2.57–2.61 Å. In the fourteenth Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.61 Å. In the fifteenth Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.60 Å. In the sixteenth Pd site, Pd is bonded in a 8-coordinate geometry to four Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.60 Å. In the seventeenth Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.60 Å. In the eighteenth Pd site, Pd is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.71 Å. In the nineteenth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Mn and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.70 Å. In the twentieth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Mn and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.69 Å. In the twenty-first Pd site, Pd is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.71 Å. In the twenty-second Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Mn and five Ge atoms. Both Pd–Mn bond lengths are 3.03 Å. There are a spread of Pd–Ge bond distances ranging from 2.50–2.69 Å. There are fourteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Mn and three Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Mn and three Pd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Mn and three Pd atoms. Both Ge–Mn bond lengths are 2.62 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four Mn and five Pd atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four Mn and five Pd atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five Pd atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to four Mn and five Pd atoms. In the eighth Ge site, Ge is bonded in a 1-coordinate geometry to one Mn and seven Pd atoms. The Ge–Mn bond length is 2.49 Å. The Ge–Pd bond length is 2.56 Å. In the ninth Ge site, Ge is bonded in a 8-coordinate geometry to eight Pd atoms. In the tenth Ge site, Ge is bonded in a 1-coordinate geometry to one Mn and seven Pd atoms. In the eleventh Ge site, Ge is bonded in a 1-coordinate geometry to one Mn and seven Pd atoms. In the twelfth Ge site, Ge is bonded in a 8-coordinate geometry to eight Pd atoms. In the thirteenth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Mn and six Pd atoms. Both Ge–Mn bond lengths are 2.71 Å. Both Ge–Pd bond lengths are 2.55 Å. In the fourteenth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Mn and six Pd atoms.