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Materials Data on PrInAu by Materials Project

PrAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.19 Å) and one longer (3.24 Å) Pr–Au bond lengths. There are two shorter (3.40 Å) and four longer (3.55 Å) Pr–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Au–In bond lengths are 2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Au–In bond lengths are 3.00 Å. In is bonded in a 4-coordinate geometry to six equivalent Pr and four Au atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Pr3Tl by Materials Project

Pr3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Tl atoms to form distorted PrPr8Tl4 cuboctahedra that share corners with twelve equivalent PrPr8Tl4 cuboctahedra, edges with eight equivalent TlPr12 cuboctahedra, edges with sixteen equivalent PrPr8Tl4 cuboctahedra, faces with four equivalent TlPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Tl4 cuboctahedra. All Pr–Pr bond lengths are 3.56 Å. All Pr–Tl bond lengths are 3.56 Å. Tl is bonded to twelve equivalent Pr atoms to form TlPr12 cuboctahedra that share corners with twelve equivalent TlPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Tl4 cuboctahedra, faces with six equivalent TlPr12 cuboctahedra, and faces with twelve equivalent PrPr8Tl4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca6Pr6Mn11CrO36 by Materials Project

Ca6Pr6CrMn11O36 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.73 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.73 Å. In the third Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.73 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.72 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.73 Å. In the sixth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.73 Å. There are six inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.74 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.75 Å. In the third Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.75 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.75 Å. In the fifth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.74 Å. In the sixth Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.74 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. There are a spread of Cr–O bond distances ranging from 2.00–2.03 Å. There are eleven inequivalent Mn+3.36+ sites. In the first Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–26°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. In the second Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. In the third Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Mn–O bond distances ranging from 1.96–1.99 Å. In the fourth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–26°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. In the fifth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two MnO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Mn–O bond distances ranging from 1.94–1.97 Å. In the sixth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. In the seventh Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. In the eighth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one CrO6 octahedra and corners with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–26°. There are a spread of Mn–O bond distances ranging from 1.95–1.99 Å. In the ninth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–26°. There are a spread of Mn–O bond distances ranging from 1.96–1.99 Å. In the tenth Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one CrO6 octahedra and corners with five MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of Mn–O bond distances ranging from 1.95–1.99 Å. In the eleventh Mn+3.36+ site, Mn+3.36+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Mn–O bond distances ranging from 1.96–1.99 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, one Cr5+, and one Mn+3.36+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the fourteenth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, one Cr5+, and one Mn+3.36+ atom. In the fifteenth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Pr3+, and two Mn+3.36+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, one Cr5+, and one Mn+3.36+ atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, one Cr5+, and one Mn+3.36+ atom. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-second O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-third O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, one Cr5+, and one Mn+3.36+ atom. In the twenty-fifth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirtieth O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirty-first O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirty-second O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirty-third O2- site, O2- is bonded in a 5-coordinate geometry to two Ca2+, one Pr3+, one Cr5+, and one Mn+3.36+ atom. In the thirty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Pr3+, and two Mn+3.36+ atoms.

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Materials Data on Pr2Fe17 by Materials Project

Pr2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Pr–Fe bond distances ranging from 3.07–3.31 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Pr and nine Fe atoms to form FePr3Fe9 cuboctahedra that share corners with twenty-three FePr2Fe10 cuboctahedra, edges with ten FePr2Fe10 cuboctahedra, and faces with twenty FePr3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.68 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to one Pr and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.76 Å. In the third Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form FePr2Fe10 cuboctahedra that share corners with twenty-two FePr2Fe10 cuboctahedra, edges with ten FePr2Fe10 cuboctahedra, and faces with eighteen FePr3Fe9 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. In the fourth Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form distorted FePr2Fe10 cuboctahedra that share corners with twenty-four FePr2Fe10 cuboctahedra, edges with five FePr2Fe10 cuboctahedra, and faces with twenty-one FePr3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KPr3 by Materials Project

KPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent Pr atoms to form KPr12 cuboctahedra that share corners with twelve equivalent KPr12 cuboctahedra, edges with twenty-four equivalent PrK4Pr8 cuboctahedra, faces with six equivalent KPr12 cuboctahedra, and faces with twelve equivalent PrK4Pr8 cuboctahedra. All K–Pr bond lengths are 3.83 Å. Pr is bonded to four equivalent K and eight equivalent Pr atoms to form PrK4Pr8 cuboctahedra that share corners with twelve equivalent PrK4Pr8 cuboctahedra, edges with eight equivalent KPr12 cuboctahedra, edges with sixteen equivalent PrK4Pr8 cuboctahedra, faces with four equivalent KPr12 cuboctahedra, and faces with fourteen equivalent PrK4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.83 Å.

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Materials Data on Pr3Y by Materials Project

Pr3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Y atoms to form PrPr8Y4 cuboctahedra that share corners with four equivalent YPr12 cuboctahedra, corners with fourteen equivalent PrPr8Y4 cuboctahedra, edges with six equivalent YPr12 cuboctahedra, edges with twelve equivalent PrPr8Y4 cuboctahedra, faces with four equivalent YPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Y4 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.68–3.73 Å. There are two shorter (3.68 Å) and two longer (3.72 Å) Pr–Y bond lengths. Y is bonded to twelve equivalent Pr atoms to form YPr12 cuboctahedra that share corners with six equivalent YPr12 cuboctahedra, corners with twelve equivalent PrPr8Y4 cuboctahedra, edges with eighteen equivalent PrPr8Y4 cuboctahedra, faces with eight equivalent YPr12 cuboctahedra, and faces with twelve equivalent PrPr8Y4 cuboctahedra.

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Materials Data on Pr3Er by Materials Project

ErPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Pr atoms to form ErPr12 cuboctahedra that share corners with six equivalent ErPr12 cuboctahedra, corners with twelve equivalent PrPr8Er4 cuboctahedra, edges with eighteen equivalent PrPr8Er4 cuboctahedra, faces with eight equivalent ErPr12 cuboctahedra, and faces with twelve equivalent PrPr8Er4 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.70 Å) Er–Pr bond lengths. Pr is bonded to four equivalent Er and eight equivalent Pr atoms to form PrPr8Er4 cuboctahedra that share corners with four equivalent ErPr12 cuboctahedra, corners with fourteen equivalent PrPr8Er4 cuboctahedra, edges with six equivalent ErPr12 cuboctahedra, edges with twelve equivalent PrPr8Er4 cuboctahedra, faces with four equivalent ErPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Er4 cuboctahedra. There are six shorter (3.67 Å) and two longer (3.72 Å) Pr–Pr bond lengths.

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Materials Data on Pr3Hf by Materials Project

Pr3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Hf atoms to form PrPr8Hf4 cuboctahedra that share corners with twelve equivalent PrPr8Hf4 cuboctahedra, edges with eight equivalent HfPr12 cuboctahedra, edges with sixteen equivalent PrPr8Hf4 cuboctahedra, faces with four equivalent HfPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Hf4 cuboctahedra. All Pr–Pr bond lengths are 3.56 Å. All Pr–Hf bond lengths are 3.56 Å. Hf is bonded to twelve equivalent Pr atoms to form HfPr12 cuboctahedra that share corners with twelve equivalent HfPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Hf4 cuboctahedra, faces with six equivalent HfPr12 cuboctahedra, and faces with twelve equivalent PrPr8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Er by Materials Project

ErPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Pr atoms to form ErPr12 cuboctahedra that share corners with twelve equivalent ErPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Er4 cuboctahedra, faces with six equivalent ErPr12 cuboctahedra, and faces with twelve equivalent PrPr8Er4 cuboctahedra. All Er–Pr bond lengths are 3.66 Å. Pr is bonded to four equivalent Er and eight equivalent Pr atoms to form PrPr8Er4 cuboctahedra that share corners with twelve equivalent PrPr8Er4 cuboctahedra, edges with eight equivalent ErPr12 cuboctahedra, edges with sixteen equivalent PrPr8Er4 cuboctahedra, faces with four equivalent ErPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Er4 cuboctahedra. All Pr–Pr bond lengths are 3.66 Å.

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Materials Data on PrNiGe2 by Materials Project

PrNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.25 Å. There are a spread of Pr–Ge bond distances ranging from 3.18–3.31 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.33–2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.

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Materials Data on Pr2Fe17C3 by Materials Project

Pr2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.13 Å) and three longer (3.38 Å) Pr–Fe bond lengths. All Pr–C bond lengths are 2.54 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form distorted FePr2Fe10 cuboctahedra that share corners with four equivalent FePr2Fe10 cuboctahedra, corners with two equivalent CPr2Fe4 octahedra, faces with four equivalent FePr2Fe10 cuboctahedra, and faces with four equivalent CPr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Fe–Fe bond distances ranging from 2.46–2.69 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.76 Å. The Fe–C bond length is 1.90 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.67 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Pr and thirteen Fe atoms. The Fe–Fe bond length is 2.36 Å. C is bonded to two equivalent Pr and four Fe atoms to form CPr2Fe4 octahedra that share corners with two equivalent FePr2Fe10 cuboctahedra, corners with four equivalent CPr2Fe4 octahedra, and faces with four equivalent FePr2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCuGe2 by Materials Project

PrCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.34 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.50 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Cu atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPr3 by Materials Project

YbPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Pr atoms to form YbPr12 cuboctahedra that share corners with twelve equivalent YbPr12 cuboctahedra, edges with twenty-four equivalent PrYb4Pr8 cuboctahedra, faces with six equivalent YbPr12 cuboctahedra, and faces with twelve equivalent PrYb4Pr8 cuboctahedra. All Yb–Pr bond lengths are 3.71 Å. Pr is bonded to four equivalent Yb and eight equivalent Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with twelve equivalent PrYb4Pr8 cuboctahedra, edges with eight equivalent YbPr12 cuboctahedra, edges with sixteen equivalent PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with fourteen equivalent PrYb4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.71 Å.

36 MATERIALS SCIENCE↗
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Materials Data on PrBrO2 by Materials Project

PrO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.76 Å. There are one shorter (3.06 Å) and two longer (3.22 Å) Pr–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Pr and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Pr and one O atom to form a mixture of edge and corner-sharing OPr3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms.

36 MATERIALS SCIENCE↗
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Materials Data on PrSi2Ag by Materials Project

PrAgSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ag and ten Si atoms. There are two shorter (3.41 Å) and two longer (3.47 Å) Pr–Ag bond lengths. There are a spread of Pr–Si bond distances ranging from 3.13–3.25 Å. Ag is bonded to four equivalent Pr, four equivalent Ag, and four equivalent Si atoms to form a mixture of distorted corner and face-sharing AgPr4Si4Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.02 Å. There are two shorter (2.60 Å) and two longer (2.62 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first 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 (2.42 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ag, and one Si atom.

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Materials Data on YbPrCo17 by Materials Project

YbPrCo17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Yb–Co bond distances ranging from 2.96–3.23 Å. Pr is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Pr–Co bond distances ranging from 2.93–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.65 Å. In the second Co site, Co is bonded to two equivalent Yb, one Pr, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb2PrCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.60 Å. In the third Co site, Co is bonded to two equivalent Pr and ten Co atoms to form a mixture of corner, edge, and face-sharing CoPr2Co10 cuboctahedra. All Co–Co bond lengths are 2.41 Å. In the fourth Co site, Co is bonded to one Yb, one Pr, and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYbPrCo10 cuboctahedra. There are one shorter (2.32 Å) and one longer (2.45 Å) Co–Co bond lengths.

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Materials Data on PrSnIr by Materials Project

PrIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.08 Å) and four longer (3.10 Å) Pr–Ir bond lengths. There are two shorter (3.31 Å) and four longer (3.42 Å) Pr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.83 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.87 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Ir atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LiPrSn2 by Materials Project

LiPrSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Pr and five Sn atoms. All Li–Pr bond lengths are 3.47 Å. There are a spread of Li–Sn bond distances ranging from 2.53–2.71 Å. Pr is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.43–3.65 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Pr atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Pr atoms to form a mixture of distorted edge and face-sharing SnLi4Pr4 tetrahedra.

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