Mn3NiSi is beta-derived structured and crystallizes in the cubic P2_13 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. In the second Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. In the third Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. In the fourth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. Ni(1) is bonded to nine Mn(1,1,1,1) and three equivalent Si(1) atoms to form NiMn9Si3 cuboctahedra that share corners with six equivalent Ni(1)Mn9Si3 cuboctahedra, corners with nine equivalent Si(1)Mn9Ni3 cuboctahedra, faces with four equivalent Si(1)Mn9Ni3 cuboctahedra, and faces with six equivalent Ni(1)Mn9Si3 cuboctahedra. Si(1) is bonded to nine Mn(1,1,1) and three equivalent Ni(1) atoms to form SiMn9Ni3 cuboctahedra that share corners with six equivalent Si(1)Mn9Ni3 cuboctahedra, corners with nine equivalent Ni(1)Mn9Si3 cuboctahedra, faces with four equivalent Ni(1)Mn9Si3 cuboctahedra, and faces with six equivalent Si(1)Mn9Ni3 cuboctahedra.
Mn3NiSi is beta-derived structured and crystallizes in the cubic P2_13 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. There are four shorter (2.53 Å) and two longer (2.56 Å) Mn(1)-Mn(1,1,1,1) bond lengths. There are a spread of Mn(1)-Ni(1) bond distances ranging from 2.46-2.57 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.45-2.58 Å. In the second Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. There are two shorter (2.53 Å) and one longer (2.56 Å) Mn(1)-Mn(1,1) bond length. There are a spread of Mn(1)-Ni(1) bond distances ranging from 2.46-2.57 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.45-2.58 Å. In the third Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. The Mn(1)-Mn(1) bond length is 2.53 Å. There are a spread of Mn(1)-Ni(1) bond distances ranging from 2.46-2.57 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.45-2.58 Å. In the fourth Mn site, Mn(1) is bonded in a 12-coordinate geometry to six Mn(1,1); three equivalent Ni(1); and three equivalent Si(1) atoms. There are a spread of Mn(1)-Ni(1) bond distances ranging from 2.46-2.57 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.45-2.58 Å. Ni(1) is bonded to nine Mn(1,1,1,1) and three equivalent Si(1) atoms to form NiMn9Si3 cuboctahedra that share corners with six equivalent Ni(1)Mn9Si3 cuboctahedra, corners with nine equivalent Si(1)Mn9Ni3 cuboctahedra, faces with four equivalent Si(1)Mn9Ni3 cuboctahedra, and faces with six equivalent Ni(1)Mn9Si3 cuboctahedra. All Ni(1)-Si(1) bond lengths are 2.27 Å. Si(1) is bonded to nine Mn(1,1,1) and three equivalent Ni(1) atoms to form SiMn9Ni3 cuboctahedra that share corners with six equivalent Si(1)Mn9Ni3 cuboctahedra, corners with nine equivalent Ni(1)Mn9Si3 cuboctahedra, faces with four equivalent Ni(1)Mn9Si3 cuboctahedra, and faces with six equivalent Si(1)Mn9Ni3 cuboctahedra.