MoMn2Si is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to one Mo(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(1), three equivalent Mo(3), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(2), and four equivalent Si(1) atoms. In the third Mo site, Mo(3) is bonded in a 16-coordinate geometry to three equivalent Mo(2), one Mn(5), two equivalent Mn(3), three equivalent Mn(2), four equivalent Mn(4), one Si(2), and two equivalent Si(1) atoms. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mo(1), one Mn(3), one Mn(5), two equivalent Mn(4), two equivalent Si(1), and three equivalent Si(2) atoms to form distorted MnMn4Si5Mo3 cuboctahedra that share corners with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with six equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with six equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mo(2), three equivalent Mo(3), one Mn(3), one Mn(5), two equivalent Mn(4), and two equivalent Si(1) atoms to form distorted MnMn4Si2Mo6 cuboctahedra that share corners with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with six equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with three equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with six equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. In the third Mn site, Mn(3) is bonded to one Mo(1), one Mo(2), two equivalent Mo(3), one Mn(1), one Mn(2), four equivalent Mn(4), and two equivalent Si(2) atoms to form MnMn6Si2Mo4 cuboctahedra that share corners with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, corners with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, corners with four equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, edges with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, faces with three equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, and faces with eight equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. In the fourth Mn site, Mn(4) is bonded to one Mo(1), one Mo(2), two equivalent Mo(3), one Mn(1), one Mn(2), two equivalent Mn(3), two equivalent Mn(4), and two equivalent Si(2) atoms to form MnMn6Si2Mo4 cuboctahedra that share corners with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, corners with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with two equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, faces with three equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with four equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. In the fifth Mn site, Mn(5) is bonded in a 12-coordinate geometry to one Mo(3), two equivalent Mo(1), two equivalent Mo(2), one Mn(1), one Mn(2), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mo(3), two equivalent Mo(1), two equivalent Mo(2), one Mn(1), one Mn(2), two equivalent Mn(5), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 13-coordinate geometry to one Mo(3), two equivalent Mo(1), one Mn(5), two equivalent Mn(3), three equivalent Mn(1), and four equivalent Mn(4) atoms.
MoMn2Si is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to one Mo(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), two equivalent Si(2), and four equivalent Si(1) atoms. The Mo(1)-Mo(2) bond length is 2.89 Å. The Mo(1)-Mn(3) bond length is 2.62 Å. Both Mo(1)-Mn(4) bond lengths are 2.84 Å. Both Mo(1)-Mn(5) bond lengths are 2.70 Å. There is one shorter (2.47 Å) and two longer (2.92 Å) Mo(1)-Mn(1) bond lengths. Both Mo(1)-Si(2) bond lengths are 2.85 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Mo(1)-Si(1) bond lengths. In the second Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(1), three equivalent Mo(3), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(2), and four equivalent Si(1) atoms. There are two shorter (2.87 Å) and one longer (2.89 Å) Mo(2)-Mo(3) bond length. The Mo(2)-Mn(3) bond length is 2.73 Å. Both Mo(2)-Mn(4) bond lengths are 2.81 Å. Both Mo(2)-Mn(5) bond lengths are 2.88 Å. There are two shorter (2.76 Å) and one longer (2.78 Å) Mo(2)-Mn(2) bond length. There are two shorter (2.68 Å) and two longer (2.71 Å) Mo(2)-Si(1) bond lengths. In the third Mo site, Mo(3) is bonded in a 16-coordinate geometry to three equivalent Mo(2), one Mn(5), two equivalent Mn(3), three equivalent Mn(2), four equivalent Mn(4), one Si(2), and two equivalent Si(1) atoms. The Mo(3)-Mn(5) bond length is 2.89 Å. Both Mo(3)-Mn(3) bond lengths are 2.79 Å. There is one shorter (2.62 Å) and two longer (2.81 Å) Mo(3)-Mn(2) bond lengths. There are two shorter (2.77 Å) and two longer (2.78 Å) Mo(3)-Mn(4) bond lengths. The Mo(3)-Si(2) bond length is 2.68 Å. Both Mo(3)-Si(1) bond lengths are 2.69 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mo(1), one Mn(3), one Mn(5), two equivalent Mn(4), two equivalent Si(1), and three equivalent Si(2) atoms to form distorted MnMn4Si5Mo3 cuboctahedra that share corners with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with six equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with six equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. The Mn(1)-Mn(3) bond length is 2.40 Å. The Mn(1)-Mn(5) bond length is 2.45 Å. Both Mn(1)-Mn(4) bond lengths are 2.31 Å. Both Mn(1)-Si(1) bond lengths are 2.45 Å. There is one shorter (2.67 Å) and two longer (2.85 Å) Mn(1)-Si(2) bond lengths. In the second Mn site, Mn(2) is bonded to three equivalent Mo(2), three equivalent Mo(3), one Mn(3), one Mn(5), two equivalent Mn(4), and two equivalent Si(1) atoms to form distorted MnMn4Si2Mo6 cuboctahedra that share corners with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with six equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with three equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with six equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. The Mn(2)-Mn(3) bond length is 2.38 Å. The Mn(2)-Mn(5) bond length is 2.52 Å. Both Mn(2)-Mn(4) bond lengths are 2.37 Å. Both Mn(2)-Si(1) bond lengths are 2.36 Å. In the third Mn site, Mn(3) is bonded to one Mo(1), one Mo(2), two equivalent Mo(3), one Mn(1), one Mn(2), four equivalent Mn(4), and two equivalent Si(2) atoms to form MnMn6Si2Mo4 cuboctahedra that share corners with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, corners with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, corners with four equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, edges with two equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, faces with three equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, and faces with eight equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. There are two shorter (2.26 Å) and two longer (2.40 Å) Mn(3)-Mn(4) bond lengths. Both Mn(3)-Si(2) bond lengths are 2.68 Å. In the fourth Mn site, Mn(4) is bonded to one Mo(1), one Mo(2), two equivalent Mo(3), one Mn(1), one Mn(2), two equivalent Mn(3), two equivalent Mn(4), and two equivalent Si(2) atoms to form MnMn6Si2Mo4 cuboctahedra that share corners with two equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, corners with two equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, corners with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, edges with two equivalent Mn(4)Mn6Si2Mo4 cuboctahedra, faces with three equivalent Mn(2)Mn4Si2Mo6 cuboctahedra, faces with three equivalent Mn(1)Mn4Si5Mo3 cuboctahedra, faces with four equivalent Mn(3)Mn6Si2Mo4 cuboctahedra, and faces with four equivalent Mn(4)Mn6Si2Mo4 cuboctahedra. There is one shorter (2.28 Å) and one longer (2.48 Å) Mn(4)-Mn(4) bond length. There is one shorter (2.60 Å) and one longer (2.62 Å) Mn(4)-Si(2) bond length. In the fifth Mn site, Mn(5) is bonded in a 12-coordinate geometry to one Mo(3), two equivalent Mo(1), two equivalent Mo(2), one Mn(1), one Mn(2), one Si(2), and four equivalent Si(1) atoms. The Mn(5)-Si(2) bond length is 2.67 Å. There are two shorter (2.31 Å) and two longer (2.39 Å) Mn(5)-Si(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Mo(3), two equivalent Mo(1), two equivalent Mo(2), one Mn(1), one Mn(2), two equivalent Mn(5), and two equivalent Si(1) atoms. There is one shorter (2.36 Å) and one longer (2.40 Å) Si(1)-Si(1) bond length. In the second Si site, Si(2) is bonded in a 13-coordinate geometry to one Mo(3), two equivalent Mo(1), one Mn(5), two equivalent Mn(3), three equivalent Mn(1), and four equivalent Mn(4) atoms.