cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313797
title: Materials Data on Sr3Li by Materials Project

description: LiSr3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a distorted square co-planar geometry to four equivalent Sr atoms. All Li–Sr bond lengths are 3.97 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Sr atoms. There are four shorter (3.97 Å) and four longer (4.13 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Li and eight equivalent Sr atoms to form a mixture of edge, face, and corner-sharing SrSr8Li4 cuboctahedra.
DOI: 10.17188/1313798
title: Materials Data on SrCe3 by Materials Project

description: SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ce atoms to form SrCe12 cuboctahedra that share corners with six equivalent SrCe12 cuboctahedra, corners with twelve equivalent CeSr4Ce8 cuboctahedra, edges with eighteen CeSr4Ce8 cuboctahedra, faces with eight equivalent SrCe12 cuboctahedra, and faces with twelve CeSr4Ce8 cuboctahedra. All Sr–Ce bond lengths are 3.69 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sr and eight Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.38–4.00 Å. In the second Ce site, Ce is bonded to four equivalent Sr and eight equivalent Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve equivalent CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra.
DOI: 10.17188/1313799
title: Materials Data on ZrOsO3 by Materials Project

description: ZrOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent O2- atoms to form ZrO12 cuboctahedra that share corners with twelve equivalent ZrO12 cuboctahedra, faces with six equivalent ZrO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Zr–O bond lengths are 2.78 Å. Os2+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent ZrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Zr4+ and two equivalent Os2+ atoms.
DOI: 10.17188/1313800
title: Materials Data on Sr4Li(BN2)3 by Materials Project

description: LiSr4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent N3- atoms to form LiN6 octahedra that share faces with eight equivalent SrN6 octahedra. All Li–N bond lengths are 2.40 Å. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and faces with two equivalent LiN6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Sr–N bond lengths are 2.70 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 1-coordinate geometry to one Li1+, four equivalent Sr2+, and one B3+ atom.
DOI: 10.17188/1313801
title: Materials Data on Sr3Lu by Materials Project

description: Sr3Lu1 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Lu atoms to form SrSr8Lu4 cuboctahedra that share corners with twelve equivalent SrSr8Lu4 cuboctahedra, edges with eight equivalent LuSr12 cuboctahedra, edges with sixteen SrSr8Lu4 cuboctahedra, faces with four equivalent LuSr12 cuboctahedra, and faces with fourteen SrSr8Lu4 cuboctahedra. There are four shorter (4.02 Å) and four longer (4.04 Å) Sr–Sr bond lengths. All Sr–Lu bond lengths are 4.04 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Lu atoms to form SrSr8Lu4 cuboctahedra that share corners with four equivalent SrSr8Lu4 cuboctahedra, corners with eight equivalent LuSr12 cuboctahedra, edges with twenty-four SrSr8Lu4 cuboctahedra, faces with six equivalent LuSr12 cuboctahedra, and faces with twelve SrSr8Lu4 cuboctahedra. All Sr–Lu bond lengths are 4.02 Å. Lu is bonded to twelve Sr atoms to form LuSr12 cuboctahedra that share corners with four equivalent LuSr12 cuboctahedra, corners with eight equivalent SrSr8Lu4 cuboctahedra, edges with eight equivalent LuSr12 cuboctahedra, edges with sixteen equivalent SrSr8Lu4 cuboctahedra, faces with four equivalent LuSr12 cuboctahedra, and faces with fourteen SrSr8Lu4 cuboctahedra.
DOI: 10.17188/1313802
title: Materials Data on Ta2BN3 by Materials Project

description: Ta2N3B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one boron molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta3+ atoms.
DOI: 10.17188/1313803
title: Materials Data on Tb3Si by Materials Project

description: Tb3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are two shorter (3.15 Å) and two longer (3.36 Å) Tb–Si bond lengths. Si is bonded to twelve equivalent Tb atoms to form a mixture of face and corner-sharing SiTb12 cuboctahedra.
DOI: 10.17188/1313804
title: Materials Data on TiSn3 by Materials Project

description: TiSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Sn atoms to form TiSn12 cuboctahedra that share corners with six equivalent TiSn12 cuboctahedra, corners with twelve equivalent SnTi4Sn8 cuboctahedra, edges with eighteen equivalent SnTi4Sn8 cuboctahedra, faces with eight equivalent TiSn12 cuboctahedra, and faces with twelve equivalent SnTi4Sn8 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.27 Å) Ti–Sn bond lengths. Sn is bonded to four equivalent Ti and eight equivalent Sn atoms to form distorted SnTi4Sn8 cuboctahedra that share corners with four equivalent TiSn12 cuboctahedra, corners with fourteen equivalent SnTi4Sn8 cuboctahedra, edges with six equivalent TiSn12 cuboctahedra, edges with twelve equivalent SnTi4Sn8 cuboctahedra, faces with four equivalent TiSn12 cuboctahedra, and faces with sixteen equivalent SnTi4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.06–3.32 Å.
DOI: 10.17188/1313805
title: Materials Data on UNiB4 by Materials Project

description: UNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 12-coordinate geometry to sixteen B+1.50- atoms. There are twelve shorter (2.76 Å) and four longer (2.85 Å) U–B bond lengths. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.77 Å) and eight longer (2.83 Å) U–B bond lengths. Ni2+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.07 Å) and four longer (2.17 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four U4+, one Ni2+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four U4+, two equivalent Ni2+, and three B+1.50- atoms. The B–B bond length is 1.66 Å.
DOI: 10.17188/1313806
title: Materials Data on TaNbTc2 by Materials Project

description: TaNbTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ta–Tc bond lengths are 2.77 Å. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.77 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Ta4+ and four equivalent Nb2+ atoms.
DOI: 10.17188/1313807
title: Materials Data on Tc3As by Materials Project

description: Tc3As is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent As5+ atoms to form TcTc8As4 cuboctahedra that share corners with twelve equivalent TcTc8As4 cuboctahedra, edges with eight equivalent TcTc8As4 cuboctahedra, edges with eight equivalent AsTc12 cuboctahedra, faces with four equivalent AsTc12 cuboctahedra, and faces with ten equivalent TcTc8As4 cuboctahedra. There are four shorter (2.66 Å) and four longer (2.80 Å) Tc–Tc bond lengths. All Tc–As bond lengths are 2.80 Å. In the second Tc+1.67- site, Tc+1.67- is bonded in a distorted square co-planar geometry to eight equivalent Tc+1.67- and four equivalent As5+ atoms. All Tc–As bond lengths are 2.66 Å. As5+ is bonded to twelve Tc+1.67- atoms to form AsTc12 cuboctahedra that share corners with four equivalent AsTc12 cuboctahedra, edges with eight equivalent AsTc12 cuboctahedra, edges with sixteen equivalent TcTc8As4 cuboctahedra, faces with four equivalent AsTc12 cuboctahedra, and faces with eight equivalent TcTc8As4 cuboctahedra.
DOI: 10.17188/1313808
title: Materials Data on TcPt3 by Materials Project

description: TcPt3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc1- is bonded to twelve Pt+0.33+ atoms to form a mixture of edge, face, and corner-sharing TcPt12 cuboctahedra. There are four shorter (2.77 Å) and eight longer (2.80 Å) Tc–Pt bond lengths. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a 4-coordinate geometry to four equivalent Tc1- atoms. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a square co-planar geometry to four equivalent Tc1- atoms.
DOI: 10.17188/1313809
title: Materials Data on Zr2CoOs by Materials Project

description: Zr2OsCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Co atoms. All Zr–Os bond lengths are 2.82 Å. All Zr–Co bond lengths are 2.82 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1313810
title: Materials Data on Ti2IrRh by Materials Project

description: Ti2IrRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms. All Ti–Ir bond lengths are 2.70 Å. All Ti–Rh bond lengths are 2.70 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1313811
title: Materials Data on Ti2IrW by Materials Project

description: Ti2WIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Ir atoms. All Ti–W bond lengths are 2.71 Å. All Ti–Ir bond lengths are 2.71 Å. W is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1313812
title: Materials Data on Tl by Materials Project

description: Tl is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve Tl atoms to form a mixture of distorted face, edge, and corner-sharing TlTl12 cuboctahedra. There are six shorter (3.49 Å) and six longer (3.65 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to six Tl atoms to form a mixture of distorted face, edge, and corner-sharing TlTl6 cuboctahedra. All Tl–Tl bond lengths are 3.40 Å.
DOI: 10.17188/1313813
title: Materials Data on YbMg by Materials Project

description: MgYb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Mg–Yb bond lengths are 3.42 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1313814
title: Materials Data on U3Pa by Materials Project

description: U3Pa is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Pa atoms to form distorted UU8Pa4 cuboctahedra that share corners with twelve equivalent UU8Pa4 cuboctahedra, edges with eight equivalent UU8Pa4 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with ten equivalent UU8Pa4 cuboctahedra. There are four shorter (2.85 Å) and four longer (3.32 Å) U–U bond lengths. All U–Pa bond lengths are 3.32 Å. In the second U site, U is bonded in a square co-planar geometry to eight equivalent U and four equivalent Pa atoms. All U–Pa bond lengths are 2.85 Å. Pa is bonded to twelve U atoms to form distorted PaU12 cuboctahedra that share corners with four equivalent PaU12 cuboctahedra, edges with eight equivalent PaU12 cuboctahedra, edges with sixteen equivalent UU8Pa4 cuboctahedra, faces with four equivalent PaU12 cuboctahedra, and faces with eight equivalent UU8Pa4 cuboctahedra.
DOI: 10.17188/1313817
title: Materials Data on UAlO3 by Materials Project

description: AlOUO2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All U–O bond lengths are 2.66 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent U3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1313818
title: Materials Data on Yb2InHg by Materials Project

description: Yb2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Yb–Hg bond lengths are 3.28 Å. All Yb–In bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1313819
title: Materials Data on Tb3ReB7 by Materials Project

description: Tb3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.66–2.77 Å. In the second Tb3+ site, Tb3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.66–2.71 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Re–B bond distances ranging from 2.32–2.36 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb3+, two equivalent Re6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.76 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb3+ and three B+2.14- atoms. There is one shorter (1.87 Å) and two longer (2.02 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.83 Å) and one longer (1.86 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb3+, two equivalent Re6+, and three B+2.14- atoms. The B–B bond length is 1.92 Å.
DOI: 10.17188/1313820
title: Materials Data on V2Se2O11 by Materials Project

description: V2O3(SeO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.38 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom.
DOI: 10.17188/1313821
title: Materials Data on Sr2MgGe2O7 by Materials Project

description: Sr2MgGe2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.91 Å. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Mg–O bond lengths are 1.96 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent MgO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OSr2Ge2 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one Ge4+ atom. In the third O2- site, O2- is bonded to three equivalent Sr2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OSr3Ge tetrahedra.
DOI: 10.17188/1313822
title: Materials Data on TmBeO3 by Materials Project

description: BeTmO3 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 TmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.77 Å. Tm is bonded to twelve equivalent O atoms to form TmO12 cuboctahedra that share corners with twelve equivalent TmO12 cuboctahedra, faces with six equivalent TmO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Tm–O bond lengths are 2.50 Å. O is bonded in a distorted linear geometry to two equivalent Be and four equivalent Tm atoms.
DOI: 10.17188/1313823
title: Materials Data on Ti2MnRe by Materials Project

description: Ti2ReMn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Mn atoms. All Ti–Re bond lengths are 2.65 Å. All Ti–Mn bond lengths are 2.65 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Mn atoms. All Re–Mn bond lengths are 3.06 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Re atoms.
DOI: 10.17188/1313824
title: Materials Data on TmBiPd2 by Materials Project

description: TmPd2Bi 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 Pd and six equivalent Bi atoms. All Tm–Pd bond lengths are 2.99 Å. All Tm–Bi bond lengths are 3.45 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.99 Å. Bi is bonded in a distorted body-centered cubic geometry to six equivalent Tm and eight equivalent Pd atoms.
DOI: 10.17188/1313825
title: Materials Data on U3Cl by Materials Project

description: U3Cl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four equivalent Cl atoms. All U–Cl bond lengths are 3.09 Å. In the second U site, U is bonded in a square co-planar geometry to four equivalent Cl atoms. All U–Cl bond lengths are 2.89 Å. Cl is bonded to twelve U atoms to form a mixture of edge, face, and corner-sharing ClU12 cuboctahedra.
DOI: 10.17188/1313826
title: Materials Data on YbSi2Ni by Materials Project

description: YbNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Si atoms. All Yb–Ni bond lengths are 3.02 Å. There are a spread of Yb–Si bond distances ranging from 3.04–3.25 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Yb and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.29–2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Yb, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.81 Å.
DOI: 10.17188/1313827
title: Materials Data on UBiTe by Materials Project

description: UBiTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent Bi and five equivalent Te atoms. All U–Bi bond lengths are 3.41 Å. There are one shorter (3.20 Å) and four longer (3.21 Å) U–Te bond lengths. Bi is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.13 Å. Te is bonded to five equivalent U atoms to form a mixture of distorted edge and corner-sharing TeU5 trigonal bipyramids.