Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Pr”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2CuSi3Rh2 by Materials Project

Pr2Rh2CuSi3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to four Rh and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.21 Å) Pr–Rh bond lengths. There are a spread of Pr–Si bond distances ranging from 3.17–3.24 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, four equivalent Cu, and six Si atoms. There are two shorter (3.29 Å) and two longer (3.34 Å) Pr–Rh bond lengths. All Pr–Cu bond lengths are 3.14 Å. There are four shorter (3.20 Å) and two longer (3.24 Å) Pr–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Pr, two equivalent Cu, and two equivalent Si atoms. Both Rh–Cu bond lengths are 2.60 Å. Both Rh–Si bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four Pr, two equivalent Cu, and two equivalent Si atoms. Both Rh–Cu bond lengths are 2.56 Å. Both Rh–Si bond lengths are 2.37 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Si atom. The Cu–Si bond length is 2.28 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent Pr, four Rh, and one Si atom. The Si–Si bond length is 2.50 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Pr, one Cu, and two equivalent Si atoms. Both Si–Si bond lengths are 2.40 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4Ho2Mn23 by Materials Project

Ho2Pr4Mn23 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.89–3.11 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.99–3.13 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.98–3.15 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ho, two equivalent Pr, and eight Mn atoms to form MnPr2Ho2Mn8 cuboctahedra that share corners with twelve MnPr2HoMn9 cuboctahedra and faces with fourteen MnPr3Mn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.64 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to two equivalent Ho, one Pr, and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.38–2.63 Å. In the third Mn site, Mn is bonded to three Pr and nine Mn atoms to form MnPr3Mn9 cuboctahedra that share corners with eight MnPr2HoMn9 cuboctahedra and faces with eleven MnPr2Ho2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.43–2.63 Å. In the fourth Mn site, Mn is bonded to one Ho, two Pr, and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPr2HoMn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.44–2.61 Å. In the fifth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.56–2.60 Å. In the sixth Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Ho, one Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.58–2.99 Å. In the seventh Mn site, Mn is bonded in a 10-coordinate geometry to three Pr and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.67–3.01 Å. In the eighth Mn site, Mn is bonded in a 10-coordinate geometry to one Ho, two Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.94 Å. In the ninth Mn site, Mn is bonded to one Ho, three Pr, and eight Mn atoms to form MnPr3HoMn8 cuboctahedra that share corners with ten MnPr3Mn9 cuboctahedra and faces with fourteen MnPr2Ho2Mn8 cuboctahedra. In the tenth Mn site, Mn is bonded to two equivalent Ho, two equivalent Pr, and eight Mn atoms to form MnPr2Ho2Mn8 cuboctahedra that share corners with eight MnPr2Ho2Mn8 cuboctahedra and faces with fourteen MnPr3Mn9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Pr by Materials Project

Tb2Pr is alpha Samarium-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to nine Tb and three equivalent Pr atoms to form TbTb9Pr3 cuboctahedra that share corners with three equivalent PrTb6Pr6 cuboctahedra, corners with twelve TbTb9Pr3 cuboctahedra, edges with nine equivalent PrTb6Pr6 cuboctahedra, edges with twelve TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. There are three shorter (3.53 Å) and six longer (3.62 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.66 Å. In the second Tb site, Tb is bonded to nine Tb and three equivalent Pr atoms to form TbTb9Pr3 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with twelve TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with twelve TbTb9Pr3 cuboctahedra, faces with seven equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Tb–Tb bond lengths are 3.62 Å. All Tb–Pr bond lengths are 3.66 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Tb and six equivalent Pr atoms to form PrTb6Pr6 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with nine TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with fifteen TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Pr–Pr bond lengths are 3.62 Å. In the second Pr site, Pr is bonded to six Tb and six equivalent Pr atoms to form PrTb6Pr6 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with nine TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with fifteen TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Pr–Tb bond lengths are 3.66 Å. All Pr–Pr bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Sb4Ir3 by Materials Project

Pr2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Pr–Ir bond distances ranging from 3.23–3.69 Å. There are a spread of Pr–Sb bond distances ranging from 3.34–3.91 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Pr–Ir bond distances ranging from 3.30–3.63 Å. There are a spread of Pr–Sb bond distances ranging from 3.28–3.86 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five Pr and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.75 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Pr, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.04 Å. There are one shorter (2.61 Å) and three longer (2.66 Å) Ir–Sb bond lengths. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Pr and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.61–2.70 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Pr and three Ir atoms. In the second Sb site, Sb is bonded in a 7-coordinate geometry to four Pr and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Pr and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Pr and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr12InPt7 by Materials Project

Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl22O34 by Materials Project

PrAl22O34 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.47–2.89 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.47–2.89 Å. There are twenty-three inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six AlO4 tetrahedra and edges with six AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.89–1.92 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.99 Å. In the third Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.81–2.07 Å. In the fourth Al site, Al is bonded to four O atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are a spread of Al–O bond distances ranging from 1.81–1.84 Å. In the fifth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with six AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Al–O bond distances ranging from 1.73–1.82 Å. In the sixth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with six AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Al–O bond distances ranging from 1.73–1.82 Å. In the seventh Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.07 Å. In the eighth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.07 Å. In the ninth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.08 Å. In the tenth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.07 Å. In the eleventh Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six AlO4 tetrahedra and edges with six AlO6 octahedra. There is four shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. In the twelfth Al site, Al is bonded to four O atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Al–O bond distances ranging from 1.81–1.84 Å. In the thirteenth Al site, Al is bonded to four O atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There is two shorter (1.82 Å) and two longer (1.83 Å) Al–O bond length. In the fourteenth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.99 Å. In the fifteenth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.81–2.08 Å. In the sixteenth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with six AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Al–O bond distances ranging from 1.73–1.82 Å. In the seventeenth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with six AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Al–O bond distances ranging from 1.73–1.82 Å. In the eighteenth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.81–2.07 Å. In the nineteenth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.81–2.08 Å. In the twentieth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six AlO4 tetrahedra and edges with six AlO6 octahedra. There is two shorter (1.90 Å) and four longer (1.92 Å) Al–O bond length. In the twenty-first Al site, Al is bonded to four O atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There is two shorter (1.82 Å) and two longer (1.83 Å) Al–O bond length. In the twenty-second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.07 Å. In the twenty-third Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.07 Å. There are thirty-four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Pr and three Al atoms. In the second O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the third O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Al atoms. In the sixth O site, O is bonded in a trigonal planar geometry to three Al atoms. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Pr and three Al atoms. In the eighth O site, O is bonded in a 3-coordinate geometry to one Pr and two Al atoms. In the ninth O site, O is bonded in a trigonal planar geometry to three Al atoms. In the tenth O site, O is bonded in a distorted trigonal planar geometry to one Pr and three Al atoms. In the eleventh O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the twelfth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the thirteenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the fourteenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the fifteenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the sixteenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the seventeenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the eighteenth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the nineteenth O site, O is bonded in a 3-coordinate geometry to one Pr and three Al atoms. In the twentieth O site, O is bonded in a trigonal planar geometry to three Al atoms. In the twenty-first O site, O is bonded in a distorted trigonal planar geometry to one Pr and three Al atoms. In the twenty-second O site, O is bonded in a distorted trigonal planar geometry to one Pr and three Al atoms. In the twenty-third O site, O is bonded in a trigonal planar geometry to three Al atoms. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to one Pr and two Al atoms. In the twenty-fifth O site, O is bonded in a trigonal planar geometry to three Al atoms. In the twenty-sixth O site, O is bonded in a trigonal planar geometry to three Al atoms. In the twenty-seventh O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the twenty-eighth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the twenty-ninth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the thirtieth O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the thirty-first O site, O is bonded in a rectangular see-saw-like geometry to four Al atoms. In the thirty-second O site, O is bonded in a trigonal non-coplanar geometry to three Al atoms. In the thirty-third O site, O is bonded in a trigonal planar geometry to three Al atoms. In the thirty-fourth O site, O is bonded in a trigonal planar geometry to three Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6S4N3Cl by Materials Project

Pr6N3S4Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to two N3-, two equivalent S2-, and two equivalent Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) Pr–N bond lengths. Both Pr–S bond lengths are 2.76 Å. Both Pr–Cl bond lengths are 3.09 Å. In the second Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to one N3- and five S2- atoms. The Pr–N bond length is 2.22 Å. There are a spread of Pr–S bond distances ranging from 2.92–3.04 Å. In the third Pr3+ site, Pr3+ is bonded in a 3-coordinate geometry to three equivalent N3- and four S2- atoms. There are one shorter (2.36 Å) and two longer (2.44 Å) Pr–N bond lengths. There are a spread of Pr–S bond distances ranging from 3.00–3.40 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to two N3-, two equivalent S2-, and two equivalent Cl1- atoms. There are one shorter (2.27 Å) and one longer (2.38 Å) Pr–N bond lengths. Both Pr–S bond lengths are 2.87 Å. Both Pr–Cl bond lengths are 3.04 Å. In the fifth Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3-, three S2-, and two equivalent Cl1- atoms. Both Pr–N bond lengths are 2.52 Å. There are two shorter (2.91 Å) and one longer (2.95 Å) Pr–S bond lengths. There are one shorter (3.05 Å) and one longer (3.41 Å) Pr–Cl bond lengths. In the sixth Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five S2- atoms. Both Pr–N bond lengths are 2.44 Å. There are a spread of Pr–S bond distances ranging from 2.82–3.38 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to four Pr3+ atoms to form NPr4 tetrahedra that share corners with two equivalent NPr4 tetrahedra, corners with two equivalent SPr4 trigonal pyramids, an edgeedge with one NPr4 tetrahedra, and an edgeedge with one SPr4 trigonal pyramid. In the second N3- site, N3- is bonded to four Pr3+ atoms to form a mixture of edge and corner-sharing NPr4 tetrahedra. In the third N3- site, N3- is bonded to four Pr3+ atoms to form NPr4 tetrahedra that share corners with two equivalent NPr4 tetrahedra, corners with two equivalent SPr4 trigonal pyramids, edges with two equivalent NPr4 tetrahedra, and an edgeedge with one SPr4 trigonal pyramid. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Pr3+ atoms to form distorted SPr4 trigonal pyramids that share corners with four NPr4 tetrahedra, corners with two equivalent SPr4 trigonal pyramids, and edges with two NPr4 tetrahedra. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to six Pr3+ atoms. Cl1- is bonded in a 5-coordinate geometry to six Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMgSi2 by Materials Project

MgPrSi2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four Si atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Mg–Si bond lengths. Pr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Pr–Si bond distances ranging from 3.12–3.27 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Pr, and one Si atom. There are two shorter (2.77 Å) and two longer (2.78 Å) Si–Mg bond lengths. The Si–Si bond length is 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. There are one shorter (2.33 Å) and two longer (2.38 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. Both Si–Si bond lengths are 2.38 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. There are two shorter (3.12 Å) and four longer (3.27 Å) Si–Pr bond lengths. There are one shorter (2.33 Å) and two longer (2.38 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Pr, and one Si atom. All Si–Pr bond lengths are 3.22 Å. The Si–Si bond length is 2.33 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Pr, and one Si atom. All Si–Pr bond lengths are 3.22 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Pr, and one Si atom. There are two shorter (2.77 Å) and two longer (2.78 Å) Si–Mg bond lengths. All Si–Pr bond lengths are 3.22 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. There are two shorter (3.12 Å) and four longer (3.27 Å) Si–Pr bond lengths. There are one shorter (2.33 Å) and two longer (2.38 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba6Pr3I19 by Materials Project

Ba6Pr3I19 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Ba–I bond distances ranging from 3.64–3.93 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ba–I bond distances ranging from 3.51–3.70 Å. In the third Ba site, Ba is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Ba–I bond distances ranging from 3.54–4.03 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Pr–I bond distances ranging from 3.28–3.36 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Pr–I bond distances ranging from 3.31–3.36 Å. There are ten inequivalent I sites. In the first I site, I is bonded to three Ba and one Pr atom to form IBa3Pr tetrahedra that share corners with eleven IBa3Pr tetrahedra, corners with six IBa2Pr2 trigonal pyramids, edges with five IBa3Pr tetrahedra, and edges with two IBa2Pr2 trigonal pyramids. In the second I site, I is bonded to three Ba and one Pr atom to form IBa3Pr tetrahedra that share corners with ten IBa3Pr tetrahedra, corners with eight IBa2Pr2 trigonal pyramids, edges with four IBa3Pr tetrahedra, and edges with two IBa2Pr2 trigonal pyramids. In the third I site, I is bonded to two Ba and two Pr atoms to form distorted IBa2Pr2 trigonal pyramids that share corners with eleven IBa3Pr tetrahedra, corners with six IBa2Pr2 trigonal pyramids, edges with two IBa3Pr tetrahedra, an edgeedge with one IBa2Pr2 trigonal pyramid, and faces with two IBa2Pr2 trigonal pyramids. In the fourth I site, I is bonded to two equivalent Ba and two Pr atoms to form distorted IBa2Pr2 trigonal pyramids that share corners with eight IBa3Pr tetrahedra, corners with eight IBa2Pr2 trigonal pyramids, edges with two IBa3Pr tetrahedra, an edgeedge with one IBa2Pr2 trigonal pyramid, and faces with two IBa2Pr2 trigonal pyramids. In the fifth I site, I is bonded to two Ba and two Pr atoms to form distorted IBa2Pr2 trigonal pyramids that share corners with eleven IBa3Pr tetrahedra, corners with six IBa2Pr2 trigonal pyramids, edges with two IBa3Pr tetrahedra, an edgeedge with one IBa2Pr2 trigonal pyramid, and faces with two IBa2Pr2 trigonal pyramids. In the sixth I site, I is bonded to two Ba and two Pr atoms to form distorted IBa2Pr2 trigonal pyramids that share corners with fourteen IBa3Pr tetrahedra, corners with four IBa2Pr2 trigonal pyramids, edges with two IBa3Pr tetrahedra, an edgeedge with one IBa2Pr2 trigonal pyramid, and faces with two IBa2Pr2 trigonal pyramids. In the seventh I site, I is bonded to three Ba and one Pr atom to form IBa3Pr tetrahedra that share corners with eleven IBa3Pr tetrahedra, corners with six IBa2Pr2 trigonal pyramids, edges with five IBa3Pr tetrahedra, and edges with two IBa2Pr2 trigonal pyramids. In the eighth I site, I is bonded to four Ba atoms to form IBa4 tetrahedra that share corners with eleven IBa3Pr tetrahedra, corners with ten IBa2Pr2 trigonal pyramids, and edges with five IBa3Pr tetrahedra. In the ninth I site, I is bonded to three Ba and one Pr atom to form IBa3Pr tetrahedra that share corners with ten IBa3Pr tetrahedra, corners with eight IBa2Pr2 trigonal pyramids, edges with four IBa3Pr tetrahedra, and edges with two IBa2Pr2 trigonal pyramids. In the tenth I site, I is bonded to four Ba atoms to form IBa4 tetrahedra that share corners with ten IBa3Pr tetrahedra, corners with twelve IBa2Pr2 trigonal pyramids, and edges with four IBa3Pr tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr21Fe8Bi7C12 by Materials Project

Pr21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to three equivalent C and three equivalent Bi atoms. All Pr–C bond lengths are 2.66 Å. All Pr–Bi bond lengths are 3.39 Å. In the second Pr site, Pr is bonded in a distorted L-shaped geometry to two equivalent C and three Bi atoms. Both Pr–C bond lengths are 2.55 Å. There are two shorter (3.41 Å) and one longer (3.96 Å) Pr–Bi bond lengths. In the third Pr site, Pr is bonded in an octahedral geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.44 Å. Fe is bonded in a trigonal planar geometry to three equivalent C atoms. All Fe–C bond lengths are 1.90 Å. C is bonded to four Pr and two equivalent Fe atoms to form distorted CPr4Fe2 octahedra that share corners with two equivalent BiPr12 cuboctahedra and edges with five equivalent CPr4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Bi site, Bi is bonded to twelve equivalent Pr atoms to form BiPr12 cuboctahedra that share corners with twenty-four equivalent CPr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaPr9Si6(SO12)2 by Materials Project

NaPr9Si6(SO12)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.53–2.98 Å. There are nine inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two S2- and six O2- atoms. There are one shorter (2.97 Å) and one longer (3.03 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.39–2.83 Å. In the second Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.78 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.76 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two S2- and six O2- atoms. There are one shorter (2.99 Å) and one longer (3.01 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.39–2.83 Å. In the fifth Pr3+ site, Pr3+ is bonded in a 5-coordinate geometry to two S2- and six O2- atoms. There are one shorter (3.02 Å) and one longer (3.03 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.35–3.04 Å. In the sixth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two S2- and six O2- atoms. There are one shorter (2.99 Å) and one longer (3.01 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.39–2.83 Å. In the seventh Pr3+ site, Pr3+ is bonded in a 5-coordinate geometry to two S2- and six O2- atoms. There are one shorter (3.01 Å) and one longer (3.05 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.35–3.04 Å. In the eighth Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.47–2.77 Å. In the ninth Pr3+ site, Pr3+ is bonded in a 5-coordinate geometry to two S2- and six O2- atoms. There are one shorter (2.99 Å) and one longer (3.07 Å) Pr–S bond lengths. There are a spread of Pr–O bond distances ranging from 2.35–3.04 Å. There are six inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the fifth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the sixth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 12-coordinate geometry to six Pr3+ and six O2- atoms. There are a spread of S–O bond distances ranging from 3.12–3.29 Å. In the second S2- site, S2- is bonded in a 12-coordinate geometry to six Pr3+ and six O2- atoms. There are a spread of S–O bond distances ranging from 3.15–3.28 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, one Si4+, and one S2- atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, one Si4+, and one S2- atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, and one Si4+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+, one Si4+, and one S2- atom. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Pr3+, one Si4+, and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4CdPd by Materials Project

Pr4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Pr–Pd bond lengths are 2.97 Å. All Pr–Cd bond lengths are 3.57 Å. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Pr–Pd bond lengths are 2.98 Å. Both Pr–Cd bond lengths are 3.63 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Pr–Pd bond lengths are 3.68 Å. Both Pr–Cd bond lengths are 3.46 Å. Pd is bonded in a 6-coordinate geometry to nine Pr atoms. Cd is bonded to nine Pr and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4CdIr by Materials Project

Pr4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Pr–Ir bond lengths are 2.93 Å. All Pr–Cd bond lengths are 3.60 Å. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 2.92 Å. Both Pr–Cd bond lengths are 3.64 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 3.61 Å. Both Pr–Cd bond lengths are 3.43 Å. Ir is bonded in a 6-coordinate geometry to nine Pr atoms. Cd is bonded to nine Pr and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4CdPt by Materials Project

Pr4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Pr–Pt bond lengths are 2.96 Å. All Pr–Cd bond lengths are 3.60 Å. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Pr–Pt bond lengths are 2.96 Å. Both Pr–Cd bond lengths are 3.63 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Pr–Pt bond lengths are 3.68 Å. Both Pr–Cd bond lengths are 3.44 Å. Pt is bonded in a 6-coordinate geometry to nine Pr atoms. Cd is bonded to nine Pr and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Mn4Co13 by Materials Project

Pr2Mn4Co13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to three equivalent Mn and sixteen Co atoms. All Pr–Mn bond lengths are 3.23 Å. There are a spread of Pr–Co bond distances ranging from 3.03–3.22 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four Mn and fifteen Co atoms. There are one shorter (3.08 Å) and three longer (3.33 Å) Pr–Mn bond lengths. There are a spread of Pr–Co bond distances ranging from 3.06–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to two Pr, one Mn, and nine Co atoms. The Mn–Mn bond length is 2.66 Å. There are a spread of Mn–Co bond distances ranging from 2.42–2.55 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Pr, three equivalent Mn, and ten Co atoms. There are a spread of Mn–Co bond distances ranging from 2.37–2.69 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Pr, three Mn, and seven Co atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.70 Å. In the second Co site, Co is bonded to three Pr, three Mn, and six Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn3Co6 cuboctahedra. Both Co–Co bond lengths are 2.46 Å. In the third Co site, Co is bonded to three Pr, two equivalent Mn, and seven Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn2Co7 cuboctahedra. The Co–Co bond length is 2.65 Å. In the fourth Co site, Co is bonded in a 4-coordinate geometry to one Pr, four Mn, and nine Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Dy by Materials Project

DyPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.69 Å. In the second Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.69 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.67 Å) and six longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.64 Å) and two longer (3.73 Å) Pr–Pr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr7Ru3 by Materials Project

Pr7Ru3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to four Ru atoms to form a mixture of distorted edge and corner-sharing PrRu4 tetrahedra. There are a spread of Pr–Ru bond distances ranging from 3.00–3.08 Å. In the second Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.16 Å. In the third Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.84 Å) and one longer (2.88 Å) Pr–Ru bond lengths. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to three Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.84–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 7-coordinate geometry to seven Pr atoms. In the second Ru site, Ru is bonded in a 6-coordinate geometry to eight Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl4 by Materials Project

PrAl4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Pr–Al bond distances ranging from 3.28–3.62 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Pr–Al bond distances ranging from 3.28–3.60 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.54–2.67 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are two shorter (2.65 Å) and two longer (2.66 Å) Al–Al bond lengths. In the third Al site, Al is bonded to four Pr and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing AlPr4Al8 cuboctahedra. There are two shorter (2.65 Å) and four longer (3.06 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to four Pr and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing AlPr4Al8 cuboctahedra. There are two shorter (2.65 Å) and four longer (3.01 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to four Pr and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing AlPr4Al8 cuboctahedra. There are three shorter (2.66 Å) and two longer (3.03 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Pr and five Al atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 9-coordinate geometry to four Pr and five Al atoms. The Al–Al bond length is 2.65 Å. In the eighth Al site, Al is bonded to four Pr and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing AlPr4Al8 cuboctahedra.

36 MATERIALS SCIENCE↗