cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316365
title: Materials Data on YbPm3 by Materials Project

description: YbPm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Pm atoms to form YbPm12 cuboctahedra that share corners with six equivalent YbPm12 cuboctahedra, corners with twelve equivalent PmYb4Pm8 cuboctahedra, edges with eighteen equivalent PmYb4Pm8 cuboctahedra, faces with eight equivalent YbPm12 cuboctahedra, and faces with twelve equivalent PmYb4Pm8 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.70 Å) Yb–Pm bond lengths. Pm is bonded to four equivalent Yb and eight equivalent Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with four equivalent YbPm12 cuboctahedra, corners with fourteen equivalent PmYb4Pm8 cuboctahedra, edges with six equivalent YbPm12 cuboctahedra, edges with twelve equivalent PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with sixteen equivalent PmYb4Pm8 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.64–3.75 Å.
DOI: 10.17188/1316366
title: Materials Data on GeF4 by Materials Project

description: GeF4 is Silicon tetrafluoride structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of two tetrafluorogermane molecules. Ge4+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All Ge–F bond lengths are 1.71 Å. F1- is bonded in a single-bond geometry to one Ge4+ atom.
DOI: 10.17188/1316367
title: Materials Data on YbU3 by Materials Project

description: U3Yb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to eight equivalent U and four equivalent Yb atoms to form UYb4U8 cuboctahedra that share corners with twelve equivalent UYb4U8 cuboctahedra, edges with eight equivalent YbU12 cuboctahedra, edges with sixteen equivalent UYb4U8 cuboctahedra, faces with four equivalent YbU12 cuboctahedra, and faces with fourteen equivalent UYb4U8 cuboctahedra. All U–U bond lengths are 3.13 Å. All U–Yb bond lengths are 3.13 Å. Yb is bonded to twelve equivalent U atoms to form YbU12 cuboctahedra that share corners with twelve equivalent YbU12 cuboctahedra, edges with twenty-four equivalent UYb4U8 cuboctahedra, faces with six equivalent YbU12 cuboctahedra, and faces with twelve equivalent UYb4U8 cuboctahedra.
DOI: 10.17188/1316368
title: Materials Data on SmZnIn by Materials Project

description: SmZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of face and edge-sharing SmZn6In6 cuboctahedra. All Sm–Zn bond lengths are 3.30 Å. All Sm–In bond lengths are 3.30 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Zn–In bond lengths are 2.72 Å. In is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Zn atoms.
DOI: 10.17188/1316369
title: Materials Data on Sm5Mg by Materials Project

description: MgSm5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Sm atoms. There are a spread of Mg–Sm bond distances ranging from 3.47–3.54 Å. There are five inequivalent Sm sites. In the first Sm site, Sm is bonded to twelve Sm atoms to form SmSm12 cuboctahedra that share corners with eighteen SmSm12 cuboctahedra, edges with ten SmSm10Mg2 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å. In the second Sm site, Sm is bonded to four equivalent Mg and eight Sm atoms to form a mixture of corner, edge, and face-sharing SmSm8Mg4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.45–3.65 Å. In the third Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form a mixture of corner, edge, and face-sharing SmSm10Mg2 cuboctahedra. There are four shorter (3.52 Å) and two longer (3.65 Å) Sm–Sm bond lengths. In the fourth Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form SmSm10Mg2 cuboctahedra that share corners with twelve SmSm10Mg2 cuboctahedra, edges with fifteen SmSm12 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. All Sm–Sm bond lengths are 3.65 Å. In the fifth Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form distorted SmSm10Mg2 cuboctahedra that share corners with twelve SmSm10Mg2 cuboctahedra, edges with fifteen SmSm8Mg4 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. Both Sm–Sm bond lengths are 3.65 Å.
DOI: 10.17188/1316370
title: Materials Data on TbAg3 by Materials Project

description: Ag3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Ag atoms to form a mixture of face and corner-sharing TbAg12 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.17 Å) Tb–Ag bond lengths. Ag is bonded in a 4-coordinate geometry to four equivalent Tb atoms.
DOI: 10.17188/1316371
title: Materials Data on TcAg3 by Materials Project

description: TcAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc3- is bonded to twelve Ag1+ atoms to form TcAg12 cuboctahedra that share corners with four equivalent TcAg12 cuboctahedra, corners with eight equivalent AgTc4Ag8 cuboctahedra, edges with eight equivalent TcAg12 cuboctahedra, edges with sixteen equivalent AgTc4Ag8 cuboctahedra, faces with four equivalent TcAg12 cuboctahedra, and faces with fourteen AgTc4Ag8 cuboctahedra. There are eight shorter (2.88 Å) and four longer (3.01 Å) Tc–Ag bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent Tc3- and eight Ag1+ atoms to form AgTc4Ag8 cuboctahedra that share corners with twelve equivalent AgTc4Ag8 cuboctahedra, edges with eight equivalent TcAg12 cuboctahedra, edges with sixteen AgTc4Ag8 cuboctahedra, faces with four equivalent TcAg12 cuboctahedra, and faces with fourteen AgTc4Ag8 cuboctahedra. There are four shorter (2.88 Å) and four longer (3.01 Å) Ag–Ag bond lengths. In the second Ag1+ site, Ag1+ is bonded to four equivalent Tc3- and eight equivalent Ag1+ atoms to form AgTc4Ag8 cuboctahedra that share corners with four equivalent AgTc4Ag8 cuboctahedra, corners with eight equivalent TcAg12 cuboctahedra, edges with twenty-four AgTc4Ag8 cuboctahedra, faces with six equivalent TcAg12 cuboctahedra, and faces with twelve AgTc4Ag8 cuboctahedra.
DOI: 10.17188/1316372
title: Materials Data on Sm2As2O5 by Materials Project

description: Sm2As2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.24 Å) and one longer (2.40 Å) Sm–O bond lengths. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All As–O bond lengths are 2.28 Å. In the second As2+ site, As2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All As–O bond lengths are 2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent As2+ atoms to form a mixture of corner and edge-sharing OSm2As2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sm3+ and four equivalent As2+ atoms.
DOI: 10.17188/1316373
title: Materials Data on RbAsF6 by Materials Project

description: RbAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.06 Å) and six longer (3.17 Å) Rb–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one As5+ atom.
DOI: 10.17188/1316374
title: Materials Data on NaPd2Pb by Materials Project

description: NaPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Na–Pd bond lengths are 2.91 Å. All Na–Pb bond lengths are 3.36 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Pd atoms.
DOI: 10.17188/1316375
title: Materials Data on LaBeO3 by Materials Project

description: BeLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.85 Å. La is bonded to twelve equivalent O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All La–O bond lengths are 2.62 Å. O is bonded in a distorted linear geometry to two equivalent Be and four equivalent La atoms.
DOI: 10.17188/1316376
title: Materials Data on Li5Mg by Materials Project

description: Li5Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to ten Li and two equivalent Mg atoms to form LiLi10Mg2 cuboctahedra that share corners with eighteen equivalent LiLi10Mg2 cuboctahedra, edges with four equivalent MgLi12 cuboctahedra, edges with fourteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.04–3.06 Å. Both Li–Mg bond lengths are 3.06 Å. In the second Li site, Li is bonded to nine Li and three equivalent Mg atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with eighteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. All Li–Li bond lengths are 3.04 Å. All Li–Mg bond lengths are 3.04 Å. Mg is bonded to twelve Li atoms to form MgLi12 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi12 cuboctahedra, edges with twelve equivalent LiLi10Mg2 cuboctahedra, and faces with twenty LiLi10Mg2 cuboctahedra.
DOI: 10.17188/1316377
title: Materials Data on Y(Mg4Al3)4 by Materials Project

description: Y(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.12 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to five Mg, one Y, and five Al atoms. There are two shorter (3.16 Å) and two longer (3.18 Å) Mg–Mg bond lengths. The Mg–Y bond length is 3.59 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.20 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Mg, one Y, and twelve Al atoms. The Mg–Y bond length is 3.32 Å. There are a spread of Mg–Al bond distances ranging from 3.19–3.24 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Mg, one Y, and five Al atoms. There are two shorter (3.12 Å) and two longer (3.14 Å) Mg–Mg bond lengths. The Mg–Y bond length is 3.11 Å. There are a spread of Mg–Al bond distances ranging from 2.82–3.16 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.07 Å. There are a spread of Mg–Al bond distances ranging from 2.94–3.29 Å. Y is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.22 Å) and three longer (3.25 Å) Y–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Y, and three Al atoms. There are one shorter (2.68 Å) and two longer (2.77 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.77 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Y, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.80 Å) Al–Al bond lengths.
DOI: 10.17188/1316378
title: Materials Data on TmPd3 by Materials Project

description: TmPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing TmPd12 cuboctahedra. All Tm–Pd bond lengths are 2.90 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Tm atoms.
DOI: 10.17188/1316379
title: Materials Data on CsAsF6 by Materials Project

description: CsAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.20 Å) and six longer (3.36 Å) Cs–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one As5+ atom.
DOI: 10.17188/1316380
title: Materials Data on SmInPd by Materials Project

description: SmPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.21 Å) Sm–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.41 Å) Sm–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Pd–In bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Pd–In bond lengths are 2.96 Å. In is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.
DOI: 10.17188/1316381
title: Materials Data on Th(Mg4Al3)4 by Materials Project

description: Th(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.40 Å. There are two shorter (3.08 Å) and four longer (3.12 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 3-coordinate geometry to six Mg, one Th, and five Al atoms. There are four shorter (3.18 Å) and two longer (3.31 Å) Mg–Mg bond lengths. The Mg–Th bond length is 3.60 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.19 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Th, and five Al atoms. There are two shorter (3.11 Å) and two longer (3.14 Å) Mg–Mg bond lengths. The Mg–Th bond length is 3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.79–3.21 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, one Th, and twelve Al atoms. The Mg–Th bond length is 3.39 Å. There are a spread of Mg–Al bond distances ranging from 3.17–3.25 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.31 Å. Th is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.25 Å) and three longer (3.26 Å) Th–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.67 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Th, and three Al atoms. Both Al–Al bond lengths are 2.78 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Th, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.82 Å) Al–Al bond lengths.
DOI: 10.17188/1316382
title: Materials Data on YTmCu2 by Materials Project

description: TmYCu2 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 Cu atoms. All Tm–Cu bond lengths are 2.97 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Y–Cu bond lengths are 2.97 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.
DOI: 10.17188/1316383
title: Materials Data on Hg3F by Materials Project

description: (Hg)6F2 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules and six mercury molecules.
DOI: 10.17188/1316384
title: Materials Data on Pr2CdSn by Materials Project

description: Pr2CdSn 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 Cd and four equivalent Sn atoms. All Pr–Cd bond lengths are 3.36 Å. All Pr–Sn bond lengths are 3.36 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1316385
title: Materials Data on Pr2CdAg by Materials Project

description: Pr2AgCd 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 Cd atoms. All Pr–Ag bond lengths are 3.33 Å. All Pr–Cd bond lengths are 3.33 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1316386
title: Materials Data on Sr3Tm by Materials Project

description: Sr3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Tm atoms to form distorted SrSr8Tm4 cuboctahedra that share corners with four equivalent TmSr12 cuboctahedra, corners with fourteen equivalent SrSr8Tm4 cuboctahedra, edges with six equivalent TmSr12 cuboctahedra, edges with twelve equivalent SrSr8Tm4 cuboctahedra, faces with four equivalent TmSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Tm4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.90–4.15 Å. There are two shorter (3.99 Å) and two longer (4.02 Å) Sr–Tm bond lengths. Tm is bonded to twelve equivalent Sr atoms to form TmSr12 cuboctahedra that share corners with six equivalent TmSr12 cuboctahedra, corners with twelve equivalent SrSr8Tm4 cuboctahedra, edges with eighteen equivalent SrSr8Tm4 cuboctahedra, faces with eight equivalent TmSr12 cuboctahedra, and faces with twelve equivalent SrSr8Tm4 cuboctahedra.
DOI: 10.17188/1316387
title: Materials Data on LaDyMg2 by Materials Project

description: Mg2DyLa 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 Dy and four equivalent La atoms. All Mg–Dy bond lengths are 3.36 Å. All Mg–La bond lengths are 3.36 Å. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. La is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1316388
title: Materials Data on Tm3Ga by Materials Project

description: Tm3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Ga atoms to form distorted TmTm8Ga4 cuboctahedra that share corners with four equivalent GaTm12 cuboctahedra, corners with fourteen equivalent TmTm8Ga4 cuboctahedra, edges with six equivalent GaTm12 cuboctahedra, edges with twelve equivalent TmTm8Ga4 cuboctahedra, faces with four equivalent GaTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Ga4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.20–3.48 Å. There are two shorter (3.20 Å) and two longer (3.34 Å) Tm–Ga bond lengths. Ga is bonded to twelve equivalent Tm atoms to form GaTm12 cuboctahedra that share corners with six equivalent GaTm12 cuboctahedra, corners with twelve equivalent TmTm8Ga4 cuboctahedra, edges with eighteen equivalent TmTm8Ga4 cuboctahedra, faces with eight equivalent GaTm12 cuboctahedra, and faces with twelve equivalent TmTm8Ga4 cuboctahedra.
DOI: 10.17188/1316389
title: Materials Data on Ho3Sb by Materials Project

description: Ho3Sb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm 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 Sb atoms to form distorted HoHo8Sb4 cuboctahedra that share corners with twelve equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with ten equivalent HoHo8Sb4 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.48 Å) Ho–Ho bond lengths. All Ho–Sb bond lengths are 3.48 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Sb atoms. All Ho–Sb bond lengths are 3.26 Å. Sb is bonded to twelve Ho atoms to form SbHo12 cuboctahedra that share corners with four equivalent SbHo12 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Sb4 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with eight equivalent HoHo8Sb4 cuboctahedra.