cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1277571
title: Materials Data on O2 by Materials Project

description: O2 is Cubic alpha N2-like structured and crystallizes in the orthorhombic Fmmm space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules. O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å.
DOI: 10.17188/1277572
title: Materials Data on Ca4LaB3O10 by Materials Project

description: LaCa4O(BO3)3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.57 Å. In the second Ca2+ site, Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share a cornercorner with one CaO6 octahedra, corners with two equivalent LaO6 octahedra, and edges with two equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 68–75°. There are a spread of Ca–O bond distances ranging from 2.33–2.43 Å. La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with four equivalent CaO6 octahedra and edges with two equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are a spread of La–O bond distances ranging from 2.31–2.55 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ca2+, one La3+, and one B3+ atom to form distorted corner-sharing OCa2LaB tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one B3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent La3+ atoms to form corner-sharing OCa2La2 tetrahedra. In the fifth O2- site, O2- is bonded to three Ca2+ and one B3+ atom to form distorted corner-sharing OCa3B tetrahedra. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one B3+ atom.
DOI: 10.17188/1277573
title: Materials Data on Ba3SmRu2O9 by Materials Project

description: Ba3SmRu2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent SmO6 octahedra, and faces with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.89–3.24 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent SmO6 octahedra, and faces with six equivalent RuO6 octahedra. There are six shorter (2.99 Å) and six longer (3.00 Å) Ba–O bond lengths. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–O bond lengths are 2.28 Å. Ru+4.50+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent SmO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.96 Å) and three longer (2.05 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Sm3+, and one Ru+4.50+ atom. In the second O2- site, O2- is bonded to four Ba2+ and two equivalent Ru+4.50+ atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 4–60°.
DOI: 10.17188/1277574
title: Materials Data on NdNO4 by Materials Project

description: NdONO3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitric acid molecules and two NdO ribbons oriented in the (0, 1, 0) direction. In each NdO ribbon, Nd3+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.16 Å) Nd–O bond lengths. O2- is bonded in a bent 150 degrees geometry to two equivalent Nd3+ atoms.
DOI: 10.17188/1277575
title: Materials Data on Lu2(CN2)3 by Materials Project

description: Lu2(CN2)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent N3- atoms to form distorted edge-sharing LuN6 octahedra. There are three shorter (2.28 Å) and three longer (2.33 Å) Lu–N bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one C4+ atom.
DOI: 10.17188/1277576
title: Materials Data on PrZnRh by Materials Project

description: PrRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to five Rh and six Zn atoms. There are a spread of Pr–Rh bond distances ranging from 2.90–3.01 Å. There are a spread of Pr–Zn bond distances ranging from 3.26–3.33 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.98–3.12 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Pr and five Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.66–2.75 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Pr and three Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.78–2.87 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Pr and four Rh atoms. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Pr and four Rh atoms.
DOI: 10.17188/1277577
title: Materials Data on NdZnRh by Materials Project

description: NdRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to five Rh atoms. There are four shorter (2.96 Å) and one longer (3.09 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Rh and six Zn atoms. There are a spread of Nd–Rh bond distances ranging from 2.89–3.00 Å. There are a spread of Nd–Zn bond distances ranging from 3.24–3.31 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Nd and five Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.65–2.74 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Nd and three Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.76–2.84 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Nd and four Rh atoms. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Nd and four Rh atoms.
DOI: 10.17188/1277578
title: Materials Data on Ce(PPt2)2 by Materials Project

description: Ce(Pt2P)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.10–3.25 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four equivalent Ce4+ and three P2+ atoms. There are a spread of Pt–P bond distances ranging from 2.34–2.45 Å. In the second Pt2- site, Pt2- is bonded in a 2-coordinate geometry to one Ce4+ and three equivalent P2+ atoms. There are two shorter (2.35 Å) and one longer (2.69 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Ce4+ and three P2+ atoms. There are two shorter (2.41 Å) and one longer (2.81 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ce4+ and two P2+ atoms. There are one shorter (2.33 Å) and one longer (2.40 Å) Pt–P bond lengths. There are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P2+ site, P2+ is bonded in a 6-coordinate geometry to six Pt2- atoms.
DOI: 10.17188/1277579
title: Materials Data on CeZnRh by Materials Project

description: CeRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.84–3.12 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Rh and six Zn atoms. There are a spread of Ce–Rh bond distances ranging from 2.89–2.99 Å. There are a spread of Ce–Zn bond distances ranging from 3.17–3.29 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Ce and five Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.63–2.73 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.73–2.81 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Ce and four Rh atoms. In the second Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Ce and four Rh atoms.
DOI: 10.17188/1277581
title: Materials Data on Na2Cd3Si3O10 by Materials Project

description: Na2Cd3Si3O10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share corners with four SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, an edgeedge with one CdO6 octahedra, an edgeedge with one NaO5 square pyramid, and an edgeedge with one SiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.36–2.53 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to five O2- atoms to form distorted CdO5 trigonal bipyramids that share corners with two equivalent CdO6 octahedra, corners with four equivalent NaO5 square pyramids, corners with five SiO4 tetrahedra, corners with two equivalent CdO5 trigonal bipyramids, and an edgeedge with one CdO6 octahedra. The corner-sharing octahedra tilt angles range from 62–77°. There are a spread of Cd–O bond distances ranging from 2.26–2.38 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with two equivalent SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, edges with two equivalent NaO5 square pyramids, edges with two equivalent SiO4 tetrahedra, and edges with two equivalent CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.26–2.44 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one CdO6 octahedra, a cornercorner with one NaO5 square pyramid, a cornercorner with one SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, an edgeedge with one CdO6 octahedra, and an edgeedge with one NaO5 square pyramid. The corner-sharing octahedral tilt angles are 53°. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent NaO5 square pyramids, corners with two equivalent SiO4 tetrahedra, and corners with two equivalent CdO5 trigonal bipyramids. There is two shorter (1.63 Å) and two longer (1.68 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Cd2+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Cd2+ and one Si4+ atom to form distorted OCd3Si trigonal pyramids that share corners with two equivalent ONa2CdSi tetrahedra and corners with three equivalent OCd3Si trigonal pyramids. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one Cd2+, and one Si4+ atom to form distorted ONa2CdSi tetrahedra that share a cornercorner with one ONa2CdSi tetrahedra, corners with two equivalent OCd3Si trigonal pyramids, and an edgeedge with one ONa2CdSi tetrahedra. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two Cd2+, and one Si4+ atom.
DOI: 10.17188/1277582
title: Materials Data on Ho3Se3N by Materials Project

description: Ho3NSe3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to one N3- and five Se2- atoms. The Ho–N bond length is 2.23 Å. There are a spread of Ho–Se bond distances ranging from 2.86–3.03 Å. In the second Ho3+ site, Ho3+ is bonded to one N3- and five Se2- atoms to form distorted HoSe5N octahedra that share a cornercorner with one HoSe4N2 octahedra and edges with six HoSe5N octahedra. The corner-sharing octahedral tilt angles are 10°. The Ho–N bond length is 2.24 Å. There are a spread of Ho–Se bond distances ranging from 2.83–2.93 Å. In the third Ho3+ site, Ho3+ is bonded to two equivalent N3- and four Se2- atoms to form a mixture of distorted edge and corner-sharing HoSe4N2 octahedra. The corner-sharing octahedral tilt angles are 10°. Both Ho–N bond lengths are 2.27 Å. There are a spread of Ho–Se bond distances ranging from 2.89–2.99 Å. N3- is bonded to four Ho3+ atoms to form NHo4 tetrahedra that share corners with seven SeHo5 square pyramids, edges with three SeHo5 square pyramids, and an edgeedge with one NHo4 tetrahedra. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ho3+ atoms to form distorted SeHo5 square pyramids that share corners with two equivalent SeHo5 square pyramids, corners with three equivalent NHo4 tetrahedra, edges with five SeHo5 square pyramids, and edges with two equivalent NHo4 tetrahedra. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Ho3+ atoms. In the third Se2- site, Se2- is bonded to five Ho3+ atoms to form SeHo5 square pyramids that share corners with two equivalent SeHo5 square pyramids, corners with four equivalent NHo4 tetrahedra, edges with five SeHo5 square pyramids, and an edgeedge with one NHo4 tetrahedra.
DOI: 10.17188/1277583
title: Materials Data on UFeGe by Materials Project

description: UFeGe crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 2-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.14–3.09 Å. There are a spread of U–Ge bond distances ranging from 3.03–3.29 Å. In the second U site, U is bonded in a 10-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.97–3.18 Å. There are a spread of U–Ge bond distances ranging from 2.97–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.52–3.28 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six U and four Fe atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six U and four Fe atoms.
DOI: 10.17188/1277584
title: Materials Data on GeTeRh by Materials Project

description: RhGeTe crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rh is bonded to three equivalent Ge and three equivalent Te atoms to form distorted RhGe3Te3 octahedra that share corners with ten equivalent RhGe3Te3 octahedra, corners with three equivalent GeTeRh3 tetrahedra, corners with three equivalent TeGeRh3 tetrahedra, and an edgeedge with one RhGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are one shorter (2.46 Å) and two longer (2.48 Å) Rh–Ge bond lengths. There are a spread of Rh–Te bond distances ranging from 2.69–2.72 Å. Ge is bonded to three equivalent Rh and one Te atom to form distorted GeTeRh3 tetrahedra that share corners with three equivalent RhGe3Te3 octahedra, corners with four equivalent GeTeRh3 tetrahedra, corners with nine equivalent TeGeRh3 tetrahedra, and an edgeedge with one GeTeRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–87°. The Ge–Te bond length is 2.76 Å. Te is bonded to three equivalent Rh and one Ge atom to form distorted TeGeRh3 tetrahedra that share corners with three equivalent RhGe3Te3 octahedra, corners with six equivalent TeGeRh3 tetrahedra, and corners with nine equivalent GeTeRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.
DOI: 10.17188/1277585
title: Materials Data on AlTlI4 by Materials Project

description: TlAlI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.65–4.15 Å. Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.58 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom.
DOI: 10.17188/1277586
title: Materials Data on Tl(CO)2 by Materials Project

description: CTlCO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ethyne molecules and two TlCO2 sheets oriented in the (0, 0, 1) direction. In each TlCO2 sheet, there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–2.84 Å. In the second Tl3+ site, Tl3+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.09 Å. There are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl3+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tl3+ and one C+0.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Tl3+ and one C+0.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Tl3+ and one C+0.50+ atom.
DOI: 10.17188/1277587
title: Materials Data on La(In2Ni)3 by Materials Project

description: La(NiIn2)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to two equivalent Ni and thirteen In atoms. Both La–Ni bond lengths are 3.35 Å. There are a spread of La–In bond distances ranging from 3.33–3.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.58–2.75 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to one Ni and seven In atoms. The Ni–Ni bond length is 2.63 Å. There are a spread of Ni–In bond distances ranging from 2.59–2.73 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent La, three equivalent Ni, and one In atom. The In–In bond length is 3.12 Å. In the second In site, In is bonded in a 12-coordinate geometry to three equivalent La, three equivalent Ni, and six In atoms. There are a spread of In–In bond distances ranging from 3.04–3.33 Å. In the third In site, In is bonded in a 1-coordinate geometry to two equivalent La, three Ni, and four equivalent In atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one La and six equivalent Ni atoms.
DOI: 10.17188/1277589
title: Materials Data on La21Fe8Sn7C12 by Materials Project

description: La21Fe8Sn7C12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to three equivalent Sn and three equivalent C atoms to form distorted LaSn3C3 octahedra that share corners with six equivalent LaSn3C3 octahedra, edges with three equivalent LaSn3C3 octahedra, and a faceface with one LaSn6 octahedra. The corner-sharing octahedra tilt angles range from 18–43°. All La–Sn bond lengths are 3.39 Å. All La–C bond lengths are 2.70 Å. In the second La site, La is bonded in a distorted L-shaped geometry to three Sn and two equivalent C atoms. There are two shorter (3.42 Å) and one longer (3.96 Å) La–Sn bond lengths. Both La–C bond lengths are 2.60 Å. In the third La site, La is bonded to six equivalent Sn atoms to form face-sharing LaSn6 octahedra. All La–Sn bond lengths are 3.47 Å. Fe is bonded in a trigonal planar geometry to three equivalent C atoms. All Fe–C bond lengths are 1.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine La atoms. In the second Sn site, Sn is bonded to twelve equivalent La atoms to form SnLa12 cuboctahedra that share corners with twenty-four equivalent CLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. C is bonded to four La and two equivalent Fe atoms to form distorted CLa4Fe2 octahedra that share corners with two equivalent SnLa12 cuboctahedra and edges with five equivalent CLa4Fe2 octahedra.