cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350333
title: Materials Data on In2Cu by Materials Project

description: CuIn2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a 3-coordinate geometry to nine In atoms. There are three shorter (2.71 Å) and six longer (3.21 Å) Cu–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a trigonal planar geometry to three equivalent Cu and six equivalent In atoms. All In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 12-coordinate geometry to six equivalent Cu and eight In atoms. Both In–In bond lengths are 3.45 Å.
DOI: 10.17188/1350334
title: Materials Data on KCdSb by Materials Project

description: KCdSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded to five equivalent Sb3- atoms to form distorted KSb5 trigonal bipyramids that share corners with twelve equivalent CdSb4 tetrahedra, corners with four equivalent KSb5 trigonal bipyramids, edges with four equivalent CdSb4 tetrahedra, and edges with eight equivalent KSb5 trigonal bipyramids. There are four shorter (3.60 Å) and one longer (3.75 Å) K–Sb bond lengths. Cd2+ is bonded to four equivalent Sb3- atoms to form CdSb4 tetrahedra that share corners with four equivalent CdSb4 tetrahedra, corners with twelve equivalent KSb5 trigonal bipyramids, edges with four equivalent CdSb4 tetrahedra, and edges with four equivalent KSb5 trigonal bipyramids. All Cd–Sb bond lengths are 3.01 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1350335
title: Materials Data on Ca(BeAs)2 by Materials Project

description: Ca(BeAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent As3- atoms to form CaAs6 octahedra that share corners with twelve equivalent BeAs4 tetrahedra, edges with six equivalent CaAs6 octahedra, and edges with six equivalent BeAs4 tetrahedra. All Ca–As bond lengths are 2.95 Å. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with six equivalent CaAs6 octahedra, corners with six equivalent BeAs4 tetrahedra, edges with three equivalent CaAs6 octahedra, and edges with three equivalent BeAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–49°. All Be–As bond lengths are 2.34 Å. As3- is bonded in a 7-coordinate geometry to three equivalent Ca2+ and four equivalent Be2+ atoms.
DOI: 10.17188/1350336
title: Materials Data on NdTeCl by Materials Project

description: NdTeCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to five equivalent Te2- and four equivalent Cl1- atoms. There are one shorter (3.26 Å) and four longer (3.34 Å) Nd–Te bond lengths. All Nd–Cl bond lengths are 2.98 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms. Cl1- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing ClNd4 tetrahedra.
DOI: 10.17188/1350337
title: Materials Data on PrFeSi by Materials Project

description: PrFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Fe and five equivalent Si atoms. All Pr–Fe bond lengths are 3.02 Å. There are four shorter (3.08 Å) and one longer (3.75 Å) Pr–Si bond lengths. Fe is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. Si is bonded in a 10-coordinate geometry to five equivalent Pr and four equivalent Fe atoms.
DOI: 10.17188/1350338
title: Materials Data on PuSe2 by Materials Project

description: PuSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.98–3.07 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted corner and edge-sharing SePu5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pu4+ atoms.
DOI: 10.17188/1350339
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.08 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing SeCe5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ atoms.
DOI: 10.17188/1350340
title: Materials Data on NdSbPd by Materials Project

description: NdPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing NdSb6Pd6 cuboctahedra. All Nd–Pd bond lengths are 3.34 Å. All Nd–Sb bond lengths are 3.34 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pd atoms.
DOI: 10.17188/1350341
title: Materials Data on LuSe2 by Materials Project

description: LuSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Lu–Se bond distances ranging from 2.90–3.02 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SeLu5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ atoms.
DOI: 10.17188/1350342
title: Materials Data on Eu2H3Br by Materials Project

description: Eu2H3Br crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Eu–H bond distances ranging from 2.37–2.71 Å. All Eu–Br bond lengths are 3.25 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent BrEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 36–46°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent BrEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent BrEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.17188/1350343
title: Materials Data on PuSbTe by Materials Project

description: PuSbTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu5+ is bonded in a 9-coordinate geometry to four equivalent Sb3- and five equivalent Te2- atoms. All Pu–Sb bond lengths are 3.32 Å. There are four shorter (3.15 Å) and one longer (3.24 Å) Pu–Te bond lengths. Sb3- is bonded in a 8-coordinate geometry to four equivalent Pu5+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.07 Å. Te2- is bonded to five equivalent Pu5+ atoms to form a mixture of distorted edge and corner-sharing TePu5 trigonal bipyramids.
DOI: 10.17188/1350344
title: Materials Data on Y(CuS)2 by Materials Project

description: Y(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent S atoms to form distorted YS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Y–S bond lengths are 2.84 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent YS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent YS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.32 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Y and four equivalent Cu atoms.
DOI: 10.17188/1350345
title: Materials Data on Tb(CuS)2 by Materials Project

description: Tb(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent S atoms to form distorted face-sharing TbCu6S6 cuboctahedra. All Tb–Cu bond lengths are 3.10 Å. All Tb–S bond lengths are 2.86 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Tb and four equivalent S atoms. There are three shorter (2.31 Å) and one longer (2.55 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Tb and four equivalent Cu atoms.
DOI: 10.17188/1350346
title: Materials Data on CeZnGa by Materials Project

description: CeZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing CeZn6Ga6 cuboctahedra. All Ce–Zn bond lengths are 3.20 Å. All Ce–Ga bond lengths are 3.20 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.59 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Zn atoms.
DOI: 10.17188/1350347
title: Materials Data on LaAl2BRu2 by Materials Project

description: LaRu2Al2B crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to two equivalent B atoms. Both La–B bond lengths are 2.84 Å. Ru is bonded to four equivalent Al and two equivalent B atoms to form a mixture of corner, edge, and face-sharing RuAl4B2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–Al bond lengths are 2.56 Å. Both Ru–B bond lengths are 2.11 Å. Al is bonded in a 4-coordinate geometry to four equivalent Ru atoms. B is bonded to two equivalent La and four equivalent Ru atoms to form corner-sharing BLa2Ru4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350348
title: Materials Data on Ho(CuS)2 by Materials Project

description: Ho(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded to six equivalent S atoms to form distorted HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.82 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–54°. There are three shorter (2.33 Å) and one longer (2.49 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Ho and four equivalent Cu atoms.
DOI: 10.17188/1350349
title: Materials Data on NbGeSb by Materials Project

description: NbGeSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Sb atoms. All Nb–Ge bond lengths are 2.77 Å. There are four shorter (2.90 Å) and one longer (3.06 Å) Nb–Sb bond lengths. Ge is bonded in a 8-coordinate geometry to four equivalent Nb and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. Sb is bonded in a 5-coordinate geometry to five equivalent Nb atoms.
DOI: 10.17188/1350350
title: Materials Data on ErTe2 by Materials Project

description: ErTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are one shorter (3.15 Å) and eight longer (3.26 Å) Er–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing TeEr5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.13 Å.
DOI: 10.17188/1350351
title: Materials Data on LaZnGa by Materials Project

description: LaZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of face and edge-sharing LaZn6Ga6 cuboctahedra. All La–Zn bond lengths are 3.28 Å. All La–Ga bond lengths are 3.28 Å. Zn is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.62 Å. Ga is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Zn atoms.
DOI: 10.17188/1350352
title: Materials Data on LiFeAs by Materials Project

description: LiFeAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to three equivalent Fe2+ and five equivalent As3- atoms to form LiFe3As5 hexagonal bipyramids that share corners with two equivalent LiFe3As5 hexagonal bipyramids, corners with three equivalent AsLi5Fe3 hexagonal bipyramids, edges with three equivalent AsLi5Fe3 hexagonal bipyramids, and edges with twelve equivalent LiFe3As5 hexagonal bipyramids. All Li–Fe bond lengths are 2.52 Å. There are three shorter (2.52 Å) and two longer (2.57 Å) Li–As bond lengths. Fe2+ is bonded in a distorted hexagonal planar geometry to three equivalent Li1+ and three equivalent As3- atoms. All Fe–As bond lengths are 2.52 Å. As3- is bonded to five equivalent Li1+ and three equivalent Fe2+ atoms to form AsLi5Fe3 hexagonal bipyramids that share corners with two equivalent AsLi5Fe3 hexagonal bipyramids, corners with three equivalent LiFe3As5 hexagonal bipyramids, edges with three equivalent LiFe3As5 hexagonal bipyramids, and edges with twelve equivalent AsLi5Fe3 hexagonal bipyramids.
DOI: 10.17188/1350353
title: Materials Data on DyTe2 by Materials Project

description: DyTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Dy–Te bond distances ranging from 3.18–3.28 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing TeDy5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.14 Å.
DOI: 10.17188/1350354
title: Materials Data on SnPd3C by Materials Project

description: Pd3SnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.13 Å. In the second Pd site, Pd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.12 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with twelve equivalent SnPd12 cuboctahedra, faces with six equivalent SnPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. C is bonded to six Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent SnPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350355
title: Materials Data on PaP2 by Materials Project

description: PaP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa4+ is bonded in a body-centered cubic geometry to eight P2- atoms. There are four shorter (2.87 Å) and four longer (2.88 Å) Pa–P bond lengths. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a distorted hexagonal planar geometry to four equivalent Pa4+ and two equivalent P2- atoms. There are one shorter (2.27 Å) and one longer (2.48 Å) P–P bond lengths. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Pa4+ and two equivalent P2- atoms.
DOI: 10.17188/1350356
title: Materials Data on CaSnHg by Materials Project

description: CaHgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Hg and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.73 Å) Ca–Hg bond lengths. There are three shorter (3.28 Å) and three longer (3.62 Å) Ca–Sn bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Sn atoms. There are three shorter (2.94 Å) and one longer (3.13 Å) Hg–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Hg atoms.
DOI: 10.17188/1350357
title: Materials Data on ReN2 by Materials Project

description: ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.
DOI: 10.17188/1350358
title: Materials Data on LaZnIn by Materials Project

description: LaZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of edge and face-sharing LaZn6In6 cuboctahedra. All La–Zn bond lengths are 3.40 Å. All La–In bond lengths are 3.40 Å. Zn is bonded in a 9-coordinate geometry to six equivalent La and three equivalent In atoms. All Zn–In bond lengths are 2.78 Å. In is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Zn atoms.
DOI: 10.17188/1350359
title: Materials Data on Tb3AlN by Materials Project

description: Tb3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Tb–Al bond lengths are 3.40 Å. Both Tb–N bond lengths are 2.40 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with eight equivalent NTb6 octahedra. N is bonded to six equivalent Tb atoms to form NTb6 octahedra that share corners with six equivalent NTb6 octahedra and faces with eight equivalent AlTb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350360
title: Materials Data on LaNi3Rh2 by Materials Project

description: LaRh2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Rh and twelve equivalent Ni atoms. All La–Rh bond lengths are 2.93 Å. All La–Ni bond lengths are 3.30 Å. Rh is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Rh–Ni bond lengths are 2.56 Å. Ni is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Ni4Rh4 cuboctahedra. All Ni–Ni bond lengths are 2.54 Å.
DOI: 10.17188/1350361
title: Materials Data on PrTlCd by Materials Project

description: PrCdTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Cd and six equivalent Tl atoms to form a mixture of edge and face-sharing PrTl6Cd6 cuboctahedra. All Pr–Cd bond lengths are 3.49 Å. All Pr–Tl bond lengths are 3.49 Å. Cd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Tl atoms. All Cd–Tl bond lengths are 2.92 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms.
DOI: 10.17188/1350362
title: Materials Data on IrN by Materials Project

description: IrN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ir–N bond lengths are 2.05 Å. N3- is bonded in a square co-planar geometry to four equivalent Ir3+ atoms.
DOI: 10.17188/1350363
title: Materials Data on NpTe2 by Materials Project

description: NpTe2.0 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.24–3.26 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five equivalent Np4+ atoms to form a mixture of distorted edge and corner-sharing TeNp5 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Np4+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.14 Å.
DOI: 10.17188/1350364
title: Materials Data on Mg2Sn by Materials Project

description: Mg2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to eight Mg and six equivalent Sn atoms. There are two shorter (3.14 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–Sn bond lengths are 3.32 Å. In the second Mg site, Mg is bonded to six equivalent Mg and five equivalent Sn atoms to form a mixture of corner and face-sharing MgMg6Sn5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.14 Å) Mg–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eleven Mg atoms.
DOI: 10.17188/1350365
title: Materials Data on SmCoSi by Materials Project

description: SmCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (2.98 Å) and one longer (3.43 Å) Sm–Si bond lengths. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm3+ and four equivalent Co1+ atoms.