cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314849
title: Materials Data on Pr3Er by Materials Project

description: 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.
DOI: 10.17188/1314850
title: Materials Data on Pr3(CuSn)4 by Materials Project

description: Pr3(CuSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form distorted edge-sharing PrSn6 octahedra. There are four shorter (3.13 Å) and two longer (3.28 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.26 Å) and two longer (3.28 Å) Pr–Cu bond lengths. There are two shorter (3.24 Å) and four longer (3.37 Å) Pr–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Pr, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.58 Å. There are a spread of Cu–Sn bond distances ranging from 2.67–2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.83 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Cu atoms.
DOI: 10.17188/1314851
title: Materials Data on Pr3Cd by Materials Project

description: Pr3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Cd atoms to form distorted PrPr8Cd4 cuboctahedra that share corners with twelve equivalent PrPr8Cd4 cuboctahedra, edges with eight equivalent CdPr12 cuboctahedra, edges with sixteen PrPr8Cd4 cuboctahedra, faces with four equivalent CdPr12 cuboctahedra, and faces with fourteen PrPr8Cd4 cuboctahedra. There are four shorter (3.51 Å) and four longer (3.57 Å) Pr–Pr bond lengths. All Pr–Cd bond lengths are 3.57 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Cd atoms to form distorted PrPr8Cd4 cuboctahedra that share corners with four equivalent PrPr8Cd4 cuboctahedra, corners with eight equivalent CdPr12 cuboctahedra, edges with twenty-four PrPr8Cd4 cuboctahedra, faces with six equivalent CdPr12 cuboctahedra, and faces with twelve PrPr8Cd4 cuboctahedra. All Pr–Cd bond lengths are 3.51 Å. Cd is bonded to twelve Pr atoms to form CdPr12 cuboctahedra that share corners with four equivalent CdPr12 cuboctahedra, corners with eight equivalent PrPr8Cd4 cuboctahedra, edges with eight equivalent CdPr12 cuboctahedra, edges with sixteen equivalent PrPr8Cd4 cuboctahedra, faces with four equivalent CdPr12 cuboctahedra, and faces with fourteen PrPr8Cd4 cuboctahedra.
DOI: 10.17188/1314852
title: Materials Data on Pr3Cu by Materials Project

description: Pr3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Cu atoms to form distorted PrPr8Cu4 cuboctahedra that share corners with twelve equivalent PrPr8Cu4 cuboctahedra, edges with eight equivalent PrPr8Cu4 cuboctahedra, edges with eight equivalent CuPr12 cuboctahedra, faces with four equivalent CuPr12 cuboctahedra, and faces with ten equivalent PrPr8Cu4 cuboctahedra. There are four shorter (3.34 Å) and four longer (3.48 Å) Pr–Pr bond lengths. All Pr–Cu bond lengths are 3.48 Å. In the second Pr site, Pr is bonded in a distorted square co-planar geometry to eight equivalent Pr and four equivalent Cu atoms. All Pr–Cu bond lengths are 3.34 Å. Cu is bonded to twelve Pr atoms to form CuPr12 cuboctahedra that share corners with four equivalent CuPr12 cuboctahedra, edges with eight equivalent CuPr12 cuboctahedra, edges with sixteen equivalent PrPr8Cu4 cuboctahedra, faces with four equivalent CuPr12 cuboctahedra, and faces with eight equivalent PrPr8Cu4 cuboctahedra.
DOI: 10.17188/1314853
title: Materials Data on BeF2 by Materials Project

description: BeF2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Be2+ is bonded to twelve equivalent F1- atoms to form a mixture of face and edge-sharing BeF12 cuboctahedra. There are four shorter (2.40 Å) and eight longer (2.41 Å) Be–F bond lengths. F1- is bonded in a 11-coordinate geometry to six equivalent Be2+ and five equivalent F1- atoms. There are three shorter (2.06 Å) and two longer (2.48 Å) F–F bond lengths.
DOI: 10.17188/1314854
title: Materials Data on PrZnSbO by Materials Project

description: PrOZnSb is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All Pr–Sb bond lengths are 3.55 Å. All Pr–O bond lengths are 2.39 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.74 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1314855
title: Materials Data on Pr3Ag by Materials Project

description: Pr3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Ag atoms to form distorted PrPr8Ag4 cuboctahedra that share corners with twelve equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with ten equivalent PrPr8Ag4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.56 Å) Pr–Pr bond lengths. All Pr–Ag bond lengths are 3.56 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to eight equivalent Pr and four equivalent Ag atoms. All Pr–Ag bond lengths are 3.42 Å. Ag is bonded to twelve Pr atoms to form AgPr12 cuboctahedra that share corners with four equivalent AgPr12 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ag4 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with eight equivalent PrPr8Ag4 cuboctahedra.
DOI: 10.17188/1314856
title: Materials Data on LiTm3 by Materials Project

description: LiTm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Tm atoms to form LiTm12 cuboctahedra that share corners with six equivalent LiTm12 cuboctahedra, corners with twelve equivalent TmLi4Tm8 cuboctahedra, edges with eighteen equivalent TmLi4Tm8 cuboctahedra, faces with eight equivalent LiTm12 cuboctahedra, and faces with twelve equivalent TmLi4Tm8 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.45 Å) Li–Tm bond lengths. Tm is bonded to four equivalent Li and eight equivalent Tm atoms to form distorted TmLi4Tm8 cuboctahedra that share corners with four equivalent LiTm12 cuboctahedra, corners with fourteen equivalent TmLi4Tm8 cuboctahedra, edges with six equivalent LiTm12 cuboctahedra, edges with twelve equivalent TmLi4Tm8 cuboctahedra, faces with four equivalent LiTm12 cuboctahedra, and faces with sixteen equivalent TmLi4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.39–3.48 Å.
DOI: 10.17188/1314857
title: Materials Data on Pr2ZnHg by Materials Project

description: Pr2HgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Pr–Hg bond lengths are 3.30 Å. All Pr–Zn bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1314858
title: Materials Data on PrTm3 by Materials Project

description: Tm3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to eight Tm and four equivalent Pr atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent PrTm12 cuboctahedra, corners with fourteen TmPr4Tm8 cuboctahedra, edges with six equivalent PrTm12 cuboctahedra, edges with twelve TmPr4Tm8 cuboctahedra, faces with four equivalent PrTm12 cuboctahedra, and faces with sixteen TmPr4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.66 Å. There are two shorter (3.53 Å) and two longer (3.61 Å) Tm–Pr bond lengths. In the second Tm site, Tm is bonded to eight Tm and four equivalent Pr atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent PrTm12 cuboctahedra, corners with fourteen TmPr4Tm8 cuboctahedra, edges with six equivalent PrTm12 cuboctahedra, edges with twelve TmPr4Tm8 cuboctahedra, faces with four equivalent PrTm12 cuboctahedra, and faces with sixteen TmPr4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.66 Å. There are two shorter (3.53 Å) and two longer (3.61 Å) Tm–Pr bond lengths. In the third Tm site, Tm is bonded to eight Tm and four equivalent Pr atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent PrTm12 cuboctahedra, corners with fourteen TmPr4Tm8 cuboctahedra, edges with six equivalent PrTm12 cuboctahedra, edges with twelve TmPr4Tm8 cuboctahedra, faces with four equivalent PrTm12 cuboctahedra, and faces with sixteen TmPr4Tm8 cuboctahedra. There are one shorter (3.56 Å) and one longer (3.66 Å) Tm–Tm bond lengths. There are two shorter (3.53 Å) and two longer (3.61 Å) Tm–Pr bond lengths. Pr is bonded to twelve Tm atoms to form PrTm12 cuboctahedra that share corners with six equivalent PrTm12 cuboctahedra, corners with twelve TmPr4Tm8 cuboctahedra, edges with eighteen TmPr4Tm8 cuboctahedra, faces with eight equivalent PrTm12 cuboctahedra, and faces with twelve TmPr4Tm8 cuboctahedra.
DOI: 10.17188/1314859
title: Materials Data on PrTe2 by Materials Project

description: PrTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.20 Å. In the second Te2- site, Te2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing TePr5 trigonal bipyramids.
DOI: 10.17188/1314860
title: Materials Data on PrS3 by Materials Project

description: PrS3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr4+ is bonded to twelve equivalent S+1.33- atoms to form a mixture of distorted face and corner-sharing PrS12 cuboctahedra. There are six shorter (2.90 Å) and six longer (3.25 Å) Pr–S bond lengths. S+1.33- is bonded in a 2-coordinate geometry to four equivalent Pr4+ atoms.
DOI: 10.17188/1314861
title: Materials Data on PrNiGe2 by Materials Project

description: 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.
DOI: 10.17188/1314862
title: Materials Data on Pr2NiIr by Materials Project

description: Pr2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Pr–Ir bond lengths are 3.08 Å. All Pr–Ni bond lengths are 3.08 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1314865
title: Materials Data on PrH by Materials Project

description: HPr is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded to four equivalent H atoms to form corner-sharing PrH4 tetrahedra. There are three shorter (2.35 Å) and one longer (2.41 Å) Pr–H bond lengths. H is bonded to four equivalent Pr atoms to form corner-sharing HPr4 tetrahedra.
DOI: 10.17188/1314866
title: Materials Data on PrHo3 by Materials Project

description: Ho3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.68 Å. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve equivalent HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. Pr is bonded to twelve Ho atoms to form PrHo12 cuboctahedra that share corners with six equivalent PrHo12 cuboctahedra, corners with twelve HoPr4Ho8 cuboctahedra, edges with eighteen HoPr4Ho8 cuboctahedra, faces with eight equivalent PrHo12 cuboctahedra, and faces with twelve HoPr4Ho8 cuboctahedra.
DOI: 10.17188/1314867
title: Materials Data on Pr(CoB)4 by Materials Project

description: PrCo4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. All Pr–B bond lengths are 2.82 Å. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 1.99–2.48 Å. B3- is bonded in a 5-coordinate geometry to two equivalent Pr3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.
DOI: 10.17188/1314868
title: Materials Data on NdGe3 by Materials Project

description: NdGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form a mixture of face and corner-sharing NdGe12 cuboctahedra. All Nd–Ge bond lengths are 3.11 Å. Ge is bonded in a square co-planar geometry to four equivalent Nd atoms.
DOI: 10.17188/1314869
title: Materials Data on Nd(Ge3Pt)4 by Materials Project

description: Nd(PtGe3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form NdGe12 cuboctahedra that share faces with eight equivalent PtGe6 octahedra. All Nd–Ge bond lengths are 3.36 Å. Pt is bonded to six equivalent Ge atoms to form PtGe6 octahedra that share corners with six equivalent PtGe6 octahedra and faces with two equivalent NdGe12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Pt–Ge bond lengths are 2.52 Å. Ge is bonded in a 2-coordinate geometry to one Nd, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.55 Å) and one longer (2.63 Å) Ge–Ge bond lengths.
DOI: 10.17188/1314870
title: Materials Data on PrBrO by Materials Project

description: PrOBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PrOBr sheet oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Pr–O bond lengths are 2.37 Å. All Pr–Br bond lengths are 3.30 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.
DOI: 10.17188/1314871
title: Materials Data on BaSm2PtO5 by Materials Project

description: BaSm2PtO5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.99 Å) and eight longer (3.03 Å) Ba–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.58 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Sm3+ atoms to form distorted corner-sharing OBa2Sm4 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Sm3+, and one Pt2+ atom.
DOI: 10.17188/1314872
title: Materials Data on PrAl4Co by Materials Project

description: PrCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Pr–Co bond length is 2.99 Å. There are a spread of Pr–Al bond distances ranging from 3.11–3.28 Å. Co is bonded in a 9-coordinate geometry to one Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are two shorter (2.72 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Pr, two equivalent Co, and six Al atoms. There are one shorter (2.75 Å) and one longer (2.98 Å) Al–Al bond lengths.
DOI: 10.17188/1314873
title: Materials Data on Pr(BRu)2 by Materials Project

description: Pr(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Pr–Ru bond lengths are 3.04 Å. There are two shorter (2.93 Å) and four longer (3.07 Å) Pr–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Pr and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Pr and four equivalent Ru atoms.
DOI: 10.17188/1314874
title: Materials Data on Pr(BOs)2 by Materials Project

description: Pr(OsB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent Os+1.50- atoms. All Pr–Os bond lengths are 3.06 Å. Os+1.50- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and four equivalent B atoms. There are two shorter (2.10 Å) and two longer (2.18 Å) Os–B bond lengths. B is bonded to four equivalent Os+1.50- atoms to form a mixture of distorted corner and edge-sharing BOs4 trigonal pyramids.
DOI: 10.17188/1314875
title: Materials Data on PrYZn2 by Materials Project

description: PrYZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pr–Zn bond lengths are 3.16 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.16 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Y atoms.
DOI: 10.17188/1314876
title: Materials Data on Li2TlSn by Materials Project

description: Li2TlSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent Sn atoms. All Li–Tl bond lengths are 3.00 Å. All Li–Sn bond lengths are 3.00 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1314877
title: Materials Data on PrY3 by Materials Project

description: PrY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with eight equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen equivalent YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Pr–Y bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with twelve equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Y–Y bond lengths are 3.62 Å. In the second Y site, Y is bonded to four equivalent Pr and eight equivalent Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent YPr4Y8 cuboctahedra, corners with eight equivalent PrY12 cuboctahedra, edges with twenty-four YPr4Y8 cuboctahedra, faces with six equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra.
DOI: 10.17188/1314878
title: Materials Data on Li2TmTl by Materials Project

description: Li2TmTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Tl atoms. All Li–Tm bond lengths are 2.94 Å. All Li–Tl bond lengths are 2.94 Å. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms.