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Materials Data on MnPd by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on MnPd by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on MnPd3 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Mn11Pd21 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Mn7Pd9 by Materials Project

Mn7Pd9 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted MnMn4Pd8 cuboctahedra that share corners with four equivalent PdMn4Pd8 cuboctahedra, corners with eight MnMn4Pd8 cuboctahedra, edges with eight equivalent MnMn3Pd9 cuboctahedra, edges with sixteen equivalent PdMn7Pd5 cuboctahedra, faces with eight MnMn4Pd8 cuboctahedra, and faces with ten PdMn7Pd5 cuboctahedra. All Mn–Mn bond lengths are 2.66 Å. There are four shorter (2.63 Å) and four longer (2.70 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted MnMn4Pd8 cuboctahedra that share corners with four equivalent PdMn4Pd8 cuboctahedra, corners with eight equivalent MnMn4Pd8 cuboctahedra, edges with eight equivalent MnMn3Pd9 cuboctahedra, edges with sixteen equivalent PdMn7Pd5 cuboctahedra, faces with eight MnMn4Pd8 cuboctahedra, and faces with ten PdMn7Pd5 cuboctahedra. All Mn–Mn bond lengths are 2.60 Å. All Mn–Pd bond lengths are 2.66 Å. In the third Mn site, Mn is bonded to three Mn and nine Pd atoms to form distorted MnMn3Pd9 cuboctahedra that share corners with twelve equivalent MnMn3Pd9 cuboctahedra, edges with six MnMn4Pd8 cuboctahedra, edges with eighteen PdMn7Pd5 cuboctahedra, faces with nine MnMn4Pd8 cuboctahedra, and faces with nine PdMn7Pd5 cuboctahedra. There are a spread of Mn–Pd bond distances ranging from 2.62–2.75 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to seven Mn and five Pd atoms to form distorted PdMn7Pd5 cuboctahedra that share corners with twelve equivalent PdMn7Pd5 cuboctahedra, edges with ten PdMn7Pd5 cuboctahedra, edges with fourteen MnMn4Pd8 cuboctahedra, faces with seven MnMn4Pd8 cuboctahedra, and faces with eleven PdMn7Pd5 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.63–2.73 Å. In the second Pd site, Pd is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with twelve MnMn4Pd8 cuboctahedra, edges with eight equivalent MnMn3Pd9 cuboctahedra, edges with sixteen equivalent PdMn7Pd5 cuboctahedra, faces with eight equivalent PdMn7Pd5 cuboctahedra, and faces with ten MnMn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnPd3 by Materials Project

Pd3Mn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Pd atoms to form MnPd12 cuboctahedra that share corners with six equivalent MnPd12 cuboctahedra, corners with twelve equivalent PdMn4Pd8 cuboctahedra, edges with eighteen equivalent PdMn4Pd8 cuboctahedra, faces with eight equivalent MnPd12 cuboctahedra, and faces with twelve equivalent PdMn4Pd8 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.79 Å) Mn–Pd bond lengths. Pd is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent MnPd12 cuboctahedra, corners with fourteen equivalent PdMn4Pd8 cuboctahedra, edges with six equivalent MnPd12 cuboctahedra, edges with twelve equivalent PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with sixteen equivalent PdMn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.77–2.81 Å.

36 MATERIALS SCIENCE↗

Materials Data on Mn3Pd5 by Materials Project

Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are four shorter (2.62 Å) and four longer (2.75 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.73–2.79 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Mn atoms. In the third Pd site, Pd is bonded in a 6-coordinate geometry to six Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on MnPd3 by Materials Project

Pd3Mn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mn–Pd bond lengths are 2.63 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Pd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form a mixture of edge, corner, and face-sharing PdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Mn bond lengths are 2.63 Å. All Pd–Pd bond lengths are 2.85 Å. In the fourth Pd site, Pd is bonded to sixteen Pd atoms to form a mixture of edge, corner, and face-sharing PdPd16 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.85–5.69 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Mn bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗