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MnPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.71 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
MnPd is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.72 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mn is bonded to twelve Pd atoms to form MnPd12 cuboctahedra that share corners with four equivalent PdMn4Pd8 cuboctahedra, corners with eight equivalent MnPd12 cuboctahedra, edges with four equivalent MnPd12 cuboctahedra, edges with twenty PdMn4Pd8 cuboctahedra, faces with five equivalent MnPd12 cuboctahedra, and faces with thirteen PdMn4Pd8 cuboctahedra. There are four shorter (2.78 Å) and eight longer (2.79 Å) Mn–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with twelve PdMn4Pd8 cuboctahedra, edges with eight equivalent MnPd12 cuboctahedra, edges with sixteen PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with fourteen PdMn4Pd8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.79 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent MnPd12 cuboctahedra, corners with eight equivalent PdMn4Pd8 cuboctahedra, edges with four equivalent MnPd12 cuboctahedra, edges with twenty PdMn4Pd8 cuboctahedra, faces with five equivalent MnPd12 cuboctahedra, and faces with thirteen PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å. In the third Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with twelve PdMn4Pd8 cuboctahedra, edges with eight equivalent MnPd12 cuboctahedra, edges with sixteen PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with fourteen PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å.
Mn11Pd21 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Pd atoms. There are four shorter (2.69 Å) and four longer (2.76 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to eleven Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.74–2.86 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.72–2.87 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.72–2.87 Å. In the fifth Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.73 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.72–2.87 Å. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.72–2.87 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with sixteen equivalent PdMn6Pd2 cuboctahedra and faces with six PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.80 Å. In the second Pd site, Pd is bonded to four Mn and eight equivalent Pd atoms to form a mixture of face and corner-sharing PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.73 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to five Mn and three Pd atoms. The Pd–Pd bond length is 2.77 Å. In the fourth Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form PdMn4Pd8 cuboctahedra that share corners with twenty PdMn4Pd8 cuboctahedra, edges with four equivalent PdMn6Pd2 cuboctahedra, and faces with two equivalent PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.74 Å. In the fifth Pd site, Pd is bonded to six Mn and two Pd atoms to form distorted PdMn6Pd2 cuboctahedra that share corners with ten PdMn4Pd8 cuboctahedra, edges with eight PdMn4Pd8 cuboctahedra, and faces with four equivalent PdMn6Pd2 cuboctahedra. The Pd–Pd bond length is 2.75 Å. In the sixth Pd site, Pd is bonded to four Mn and eight equivalent Pd atoms to form PdMn4Pd8 cuboctahedra that share corners with twelve PdMn4Pd8 cuboctahedra and edges with eight equivalent PdMn6Pd2 cuboctahedra.