cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314879
title: Materials Data on PrW3 by Materials Project

description: PrW3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to fourteen W atoms. There are eight shorter (2.90 Å) and six longer (3.35 Å) Pr–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded to four equivalent Pr and four equivalent W atoms to form a mixture of distorted corner, edge, and face-sharing WPr4W4 tetrahedra. All W–W bond lengths are 2.90 Å. In the second W site, W is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent W atoms.
DOI: 10.17188/1314880
title: Materials Data on Pr2AgHg by Materials Project

description: Pr2AgHg 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 Ag and four equivalent Hg atoms. All Pr–Ag bond lengths are 3.32 Å. All Pr–Hg bond lengths are 3.32 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1314881
title: Materials Data on PrTmMg2 by Materials Project

description: Mg2TmPr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Pr atoms. All Mg–Tm bond lengths are 3.32 Å. All Mg–Pr bond lengths are 3.32 Å. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1314882
title: Materials Data on PrTmTl2 by Materials Project

description: TmPrTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.33 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Pr atoms.
DOI: 10.17188/1314883
title: Materials Data on Li3Be by Materials Project

description: Li3Be is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Be atoms to form distorted LiLi8Be4 cuboctahedra that share corners with twelve equivalent LiLi8Be4 cuboctahedra, edges with eight equivalent LiLi8Be4 cuboctahedra, edges with eight equivalent BeLi12 cuboctahedra, faces with four equivalent BeLi12 cuboctahedra, and faces with ten equivalent LiLi8Be4 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.76 Å) Li–Li bond lengths. All Li–Be bond lengths are 2.76 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to eight equivalent Li and four equivalent Be atoms. All Li–Be bond lengths are 2.71 Å. Be is bonded to twelve Li atoms to form BeLi12 cuboctahedra that share corners with four equivalent BeLi12 cuboctahedra, edges with eight equivalent BeLi12 cuboctahedra, edges with sixteen equivalent LiLi8Be4 cuboctahedra, faces with four equivalent BeLi12 cuboctahedra, and faces with eight equivalent LiLi8Be4 cuboctahedra.
DOI: 10.17188/1314884
title: Materials Data on PrTm3 by Materials Project

description: Tm3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two 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 twelve equivalent TmPr4Tm8 cuboctahedra, edges with eight equivalent PrTm12 cuboctahedra, edges with sixteen TmPr4Tm8 cuboctahedra, faces with four equivalent PrTm12 cuboctahedra, and faces with fourteen TmPr4Tm8 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.56 Å) Tm–Tm bond lengths. All Tm–Pr bond lengths are 3.55 Å. In the second Tm site, Tm is bonded to eight equivalent Tm and four equivalent Pr atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent TmPr4Tm8 cuboctahedra, corners with eight equivalent PrTm12 cuboctahedra, edges with twenty-four TmPr4Tm8 cuboctahedra, faces with six equivalent PrTm12 cuboctahedra, and faces with twelve TmPr4Tm8 cuboctahedra. All Tm–Pr bond lengths are 3.56 Å. Pr is bonded to twelve Tm atoms to form PrTm12 cuboctahedra that share corners with four equivalent PrTm12 cuboctahedra, corners with eight equivalent TmPr4Tm8 cuboctahedra, edges with eight equivalent PrTm12 cuboctahedra, edges with sixteen equivalent TmPr4Tm8 cuboctahedra, faces with four equivalent PrTm12 cuboctahedra, and faces with fourteen TmPr4Tm8 cuboctahedra.
DOI: 10.17188/1314885
title: Materials Data on PrSm3 by Materials Project

description: Sm3Pr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen equivalent SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.66 Å. All Sm–Pr bond lengths are 3.66 Å. Pr is bonded to twelve equivalent Sm atoms to form PrSm12 cuboctahedra that share corners with twelve equivalent PrSm12 cuboctahedra, edges with twenty-four equivalent SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve equivalent SmPr4Sm8 cuboctahedra.
DOI: 10.17188/1314886
title: Materials Data on LiZn3 by Materials Project

description: LiZn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Zn atoms to form LiZn12 cuboctahedra that share corners with six equivalent LiZn12 cuboctahedra, corners with twelve equivalent ZnLi4Zn8 cuboctahedra, edges with eighteen equivalent ZnLi4Zn8 cuboctahedra, faces with eight equivalent LiZn12 cuboctahedra, and faces with twelve equivalent ZnLi4Zn8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.76 Å) Li–Zn bond lengths. Zn is bonded to four equivalent Li and eight equivalent Zn atoms to form distorted ZnLi4Zn8 cuboctahedra that share corners with four equivalent LiZn12 cuboctahedra, corners with fourteen equivalent ZnLi4Zn8 cuboctahedra, edges with six equivalent LiZn12 cuboctahedra, edges with twelve equivalent ZnLi4Zn8 cuboctahedra, faces with four equivalent LiZn12 cuboctahedra, and faces with sixteen equivalent ZnLi4Zn8 cuboctahedra. There are six shorter (2.74 Å) and two longer (2.78 Å) Zn–Zn bond lengths.
DOI: 10.17188/1314887
title: Materials Data on PrTlAg2 by Materials Project

description: PrAg2Tl 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 Ag atoms. All Pr–Ag bond lengths are 3.14 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Tl atoms. All Ag–Tl bond lengths are 3.14 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1314888
title: Materials Data on PrSb3 by Materials Project

description: PrSb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of corner and face-sharing PrSb12 cuboctahedra. All Pr–Sb bond lengths are 3.43 Å. Sb1- is bonded in a square co-planar geometry to four equivalent Pr3+ atoms.
DOI: 10.17188/1314889
title: Materials Data on PrSm3 by Materials Project

description: Sm3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.64 Å. All Sm–Pr bond lengths are 3.64 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent SmPr4Sm8 cuboctahedra, corners with eight equivalent PrSm12 cuboctahedra, edges with twenty-four SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve SmPr4Sm8 cuboctahedra. All Sm–Pr bond lengths are 3.64 Å. Pr is bonded to twelve Sm atoms to form PrSm12 cuboctahedra that share corners with four equivalent PrSm12 cuboctahedra, corners with eight equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra.
DOI: 10.17188/1314890
title: Materials Data on Mo3H by Materials Project

description: (Mo)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Mo framework. In the Mo framework, there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to four equivalent Mo atoms. All Mo–Mo bond lengths are 2.63 Å. In the second Mo site, Mo is bonded in a body-centered cubic geometry to eight equivalent Mo atoms.
DOI: 10.17188/1314891
title: Materials Data on K3Ir by Materials Project

description: K3Ir crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 4-coordinate geometry to four equivalent Ir atoms. There are two shorter (3.38 Å) and two longer (3.81 Å) K–Ir bond lengths. Ir is bonded to twelve equivalent K atoms to form a mixture of distorted corner and face-sharing IrK12 cuboctahedra.
DOI: 10.17188/1314892
title: Materials Data on PrNdZn2 by Materials Project

description: NdPrZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Nd–Zn bond lengths are 3.21 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pr–Zn bond lengths are 3.21 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pr atoms.
DOI: 10.17188/1314893
title: Materials Data on MoRu3 by Materials Project

description: MoRu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Ru atoms to form MoRu12 cuboctahedra that share corners with six equivalent MoRu12 cuboctahedra, corners with twelve equivalent RuMo4Ru8 cuboctahedra, edges with eighteen equivalent RuMo4Ru8 cuboctahedra, faces with eight equivalent MoRu12 cuboctahedra, and faces with twelve equivalent RuMo4Ru8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Ru bond lengths. Ru is bonded to four equivalent Mo and eight equivalent Ru atoms to form RuMo4Ru8 cuboctahedra that share corners with four equivalent MoRu12 cuboctahedra, corners with fourteen equivalent RuMo4Ru8 cuboctahedra, edges with six equivalent MoRu12 cuboctahedra, edges with twelve equivalent RuMo4Ru8 cuboctahedra, faces with four equivalent MoRu12 cuboctahedra, and faces with sixteen equivalent RuMo4Ru8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.76 Å) Ru–Ru bond lengths.
DOI: 10.17188/1314894
title: Materials Data on K3Nd by Materials Project

description: K3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Nd atoms to form distorted KK8Nd4 cuboctahedra that share corners with four equivalent NdK12 cuboctahedra, corners with fourteen equivalent KK8Nd4 cuboctahedra, edges with six equivalent NdK12 cuboctahedra, edges with twelve equivalent KK8Nd4 cuboctahedra, faces with four equivalent NdK12 cuboctahedra, and faces with sixteen equivalent KK8Nd4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.22–4.44 Å. There are two shorter (4.33 Å) and two longer (4.34 Å) K–Nd bond lengths. Nd is bonded to twelve equivalent K atoms to form NdK12 cuboctahedra that share corners with six equivalent NdK12 cuboctahedra, corners with twelve equivalent KK8Nd4 cuboctahedra, edges with eighteen equivalent KK8Nd4 cuboctahedra, faces with eight equivalent NdK12 cuboctahedra, and faces with twelve equivalent KK8Nd4 cuboctahedra.
DOI: 10.17188/1314895
title: Materials Data on PrNdMg2 by Materials Project

description: Mg2NdPr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pr atoms. All Mg–Nd bond lengths are 3.38 Å. All Mg–Pr bond lengths are 3.38 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1314896
title: Materials Data on K3Mg by Materials Project

description: K3Mg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight equivalent K and two equivalent Mg atoms. There are a spread of K–K bond distances ranging from 4.10–4.54 Å. Both K–Mg bond lengths are 4.15 Å. Mg is bonded in a 6-coordinate geometry to six equivalent K atoms.
DOI: 10.17188/1314897
title: Materials Data on Li3Al by Materials Project

description: Li3Al is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Al atoms to form distorted LiLi8Al4 cuboctahedra that share corners with twelve equivalent LiLi8Al4 cuboctahedra, edges with eight equivalent LiLi8Al4 cuboctahedra, edges with eight equivalent AlLi12 cuboctahedra, faces with four equivalent AlLi12 cuboctahedra, and faces with ten equivalent LiLi8Al4 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.94 Å) Li–Li bond lengths. All Li–Al bond lengths are 2.94 Å. In the second Li site, Li is bonded in a square co-planar geometry to eight equivalent Li and four equivalent Al atoms. All Li–Al bond lengths are 2.77 Å. Al is bonded to twelve Li atoms to form AlLi12 cuboctahedra that share corners with four equivalent AlLi12 cuboctahedra, edges with eight equivalent AlLi12 cuboctahedra, edges with sixteen equivalent LiLi8Al4 cuboctahedra, faces with four equivalent AlLi12 cuboctahedra, and faces with eight equivalent LiLi8Al4 cuboctahedra.
DOI: 10.17188/1314898
title: Materials Data on K3Pr by Materials Project

description: K3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Pr atoms to form distorted KK8Pr4 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, corners with fourteen equivalent KK8Pr4 cuboctahedra, edges with six equivalent PrK12 cuboctahedra, edges with twelve equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with sixteen equivalent KK8Pr4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.23–4.45 Å. All K–Pr bond lengths are 4.34 Å. Pr is bonded to twelve equivalent K atoms to form PrK12 cuboctahedra that share corners with six equivalent PrK12 cuboctahedra, corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eighteen equivalent KK8Pr4 cuboctahedra, faces with eight equivalent PrK12 cuboctahedra, and faces with twelve equivalent KK8Pr4 cuboctahedra.
DOI: 10.17188/1314899
title: Materials Data on PrSmMg2 by Materials Project

description: Mg2SmPr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pr atoms. All Mg–Sm bond lengths are 3.36 Å. All Mg–Pr bond lengths are 3.36 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1314900
title: Materials Data on Li3Cu by Materials Project

description: Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.
DOI: 10.17188/1314901
title: Materials Data on PrNdHg2 by Materials Project

description: NdPrHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Nd–Hg bond lengths are 3.34 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.34 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pr atoms.
DOI: 10.17188/1314902
title: Materials Data on PrSmZn2 by Materials Project

description: SmPrZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.19 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pr–Zn bond lengths are 3.19 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pr atoms.
DOI: 10.17188/1314903
title: Materials Data on PrNd3 by Materials Project

description: Nd3Pr is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with twelve equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteen NdPr4Nd8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) Nd–Nd bond lengths. All Nd–Pr bond lengths are 3.69 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with four equivalent NdPr4Nd8 cuboctahedra, corners with eight equivalent PrNd12 cuboctahedra, edges with twenty-four NdPr4Nd8 cuboctahedra, faces with six equivalent PrNd12 cuboctahedra, and faces with twelve NdPr4Nd8 cuboctahedra. All Nd–Pr bond lengths are 3.68 Å. Pr is bonded to twelve Nd atoms to form PrNd12 cuboctahedra that share corners with four equivalent PrNd12 cuboctahedra, corners with eight equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen equivalent NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteen NdPr4Nd8 cuboctahedra.
DOI: 10.17188/1314904
title: Materials Data on PrMgAg2 by Materials Project

description: MgPrAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Mg–Ag bond lengths are 3.12 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Pr–Ag bond lengths are 3.12 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pr atoms.
DOI: 10.17188/1314908
title: Materials Data on PrMgAu2 by Materials Project

description: MgPrAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Mg–Au bond lengths are 3.10 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pr–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pr atoms.
DOI: 10.17188/1314909
title: Materials Data on PrNdTl2 by Materials Project

description: NdPrTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.40 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pr atoms.
DOI: 10.17188/1314910
title: Materials Data on Hf2RuRh by Materials Project

description: Hf2RuRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Hf–Ru bond lengths are 2.82 Å. All Hf–Rh bond lengths are 2.82 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1314911
title: Materials Data on BaPr2PdO5 by Materials Project

description: Pr2BaPdO5 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 (3.00 Å) and eight longer (3.05 Å) Ba–O bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.64 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–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 Pr3+ atoms to form corner-sharing OBa2Pr4 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 Pr3+, and one Pd2+ atom.