cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195521
title: Materials Data on B2Mo2Ir by Materials Project

description: Mo2IrB2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.54 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.65 Å. Ir is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.17 Å) and one longer (2.42 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Mo, two equivalent Ir, and one B atom. The B–B bond length is 1.86 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Mo, one Ir, and two B atoms. The B–B bond length is 1.88 Å.
DOI: 10.17188/1195522
title: Materials Data on Sr2InPt2 by Materials Project

description: Sr2Pt2In crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.24–3.28 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Sr, one Pt, and two equivalent In atoms. The Pt–Pt bond length is 2.70 Å. There are one shorter (2.79 Å) and one longer (2.81 Å) Pt–In bond lengths. In is bonded in a 12-coordinate geometry to four equivalent Pt atoms.
DOI: 10.17188/1195523
title: Materials Data on EuPb by Materials Project

description: EuPb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Eu–Pb bond lengths are 3.46 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1195524
title: Materials Data on VAsRh by Materials Project

description: RhVAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to six equivalent Rh and five equivalent As atoms. There are a spread of V–Rh bond distances ranging from 2.90–2.96 Å. There are a spread of V–As bond distances ranging from 2.53–2.82 Å. Rh is bonded in a 12-coordinate geometry to six equivalent V, two equivalent Rh, and four equivalent As atoms. Both Rh–Rh bond lengths are 2.81 Å. There are a spread of Rh–As bond distances ranging from 2.40–2.52 Å. As is bonded in a 9-coordinate geometry to five equivalent V and four equivalent Rh atoms.
DOI: 10.17188/1195525
title: Materials Data on RbCa2Nb3O10 by Materials Project

description: RbCa2Nb3O10 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.20 Å. Ca2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ca–O bond distances ranging from 2.54–3.04 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 1.98 Å. In the second Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to four equivalent Ca2+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ca2+ and two Nb5+ atoms.
DOI: 10.17188/1195526
title: Materials Data on Sr(InTe2)2 by Materials Project

description: Sr(InTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.51 Å) and four longer (3.58 Å) Sr–Te bond lengths. In3+ is bonded to four Te2- atoms to form edge-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Sr2+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing TeSr2In2 trigonal pyramids.
DOI: 10.17188/1195527
title: Materials Data on CeFe2 by Materials Project

description: CeFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Ce–Fe bond lengths are 3.00 Å. Fe is bonded to six equivalent Ce and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeCe6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.56 Å.
DOI: 10.17188/1195528
title: Materials Data on Ce(GePt)2 by Materials Project

description: Ce(PtGe)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are four shorter (3.34 Å) and four longer (3.35 Å) Ce–Pt bond lengths. There are four shorter (3.30 Å) and four longer (3.35 Å) Ce–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Pt–Ge bond lengths are 2.55 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.52 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Pt atoms.
DOI: 10.17188/1195529
title: Materials Data on HfCuSi2 by Materials Project

description: HfCuSi2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded to four equivalent Cu and eight Si atoms to form distorted HfCu4Si8 cuboctahedra that share corners with four equivalent HfCu4Si8 cuboctahedra, edges with eight equivalent HfCu4Si8 cuboctahedra, edges with eight equivalent CuHf4Cu4Si4 cuboctahedra, faces with four equivalent HfCu4Si8 cuboctahedra, and faces with four equivalent CuHf4Cu4Si4 cuboctahedra. All Hf–Cu bond lengths are 3.02 Å. There are four shorter (2.73 Å) and four longer (2.79 Å) Hf–Si bond lengths. Cu is bonded to four equivalent Hf, four equivalent Cu, and four equivalent Si atoms to form CuHf4Cu4Si4 cuboctahedra that share corners with four equivalent CuHf4Cu4Si4 cuboctahedra, edges with eight equivalent HfCu4Si8 cuboctahedra, faces with four equivalent HfCu4Si8 cuboctahedra, and faces with eight equivalent CuHf4Cu4Si4 cuboctahedra. All Cu–Cu bond lengths are 2.61 Å. All Cu–Si bond lengths are 2.42 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.
DOI: 10.17188/1195530
title: Materials Data on Lu6UO12 by Materials Project

description: Lu6U1O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. U6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All U–O bond lengths are 2.09 Å. Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and three equivalent Lu3+ atoms. In the second O2- site, O2- is bonded to four equivalent Lu3+ atoms to form a mixture of edge and corner-sharing OLu4 tetrahedra.
DOI: 10.17188/1195531
title: Materials Data on Sm2InPd2 by Materials Project

description: Sm2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.07 Å) Sm–Pd bond lengths. All Sm–In bond lengths are 3.46 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.81 Å. Both Pd–In bond lengths are 3.08 Å. In is bonded to eight equivalent Sm and four equivalent Pd atoms to form a mixture of face and corner-sharing InSm8Pd4 cuboctahedra.
DOI: 10.17188/1195532
title: Materials Data on V2Ga5 by Materials Project

description: V2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten Ga atoms to form a mixture of corner, edge, and face-sharing VV2Ga10 cuboctahedra. Both V–V bond lengths are 2.68 Å. There are a spread of V–Ga bond distances ranging from 2.65–2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent V and six Ga atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å.
DOI: 10.17188/1195533
title: Materials Data on InGaTe2 by Materials Project

description: InGaTe2 is I4/mcm-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. In1+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All In–Te bond lengths are 3.61 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded in a 2-coordinate geometry to four equivalent In1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1195534
title: Materials Data on HoZn2 by Materials Project

description: HoZn2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are a spread of Ho–Zn bond distances ranging from 3.05–3.21 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.96 Å.
DOI: 10.17188/1195535
title: Materials Data on Ho(BC)2 by Materials Project

description: HoB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Ho–B bond lengths are 2.73 Å. All Ho–C bond lengths are 2.67 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Ho and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Ho and three equivalent B atoms.
DOI: 10.17188/1195536
title: Materials Data on InN by Materials Project

description: InN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In3+ is bonded to four equivalent N3- atoms to form corner-sharing InN4 tetrahedra. All In–N bond lengths are 2.19 Å. N3- is bonded to four equivalent In3+ atoms to form corner-sharing NIn4 tetrahedra.
DOI: 10.17188/1195537
title: Materials Data on InAs by Materials Project

description: InAs is SC16 CuCl, stable at 5GPa structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. In3+ is bonded to four equivalent As3- atoms to form corner-sharing InAs4 trigonal pyramids. There are one shorter (2.65 Å) and three longer (2.73 Å) In–As bond lengths. As3- is bonded to four equivalent In3+ atoms to form corner-sharing AsIn4 trigonal pyramids.
DOI: 10.17188/1195538
title: Materials Data on U7Te12 by Materials Project

description: U7Te12 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent U+3.43+ sites. In the first U+3.43+ site, U+3.43+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.10–3.31 Å. In the second U+3.43+ site, U+3.43+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.04–3.40 Å. In the third U+3.43+ site, U+3.43+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are three shorter (3.13 Å) and six longer (3.35 Å) U–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four U+3.43+ atoms to form distorted corner-sharing TeU4 tetrahedra. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to five U+3.43+ atoms.
DOI: 10.17188/1195539
title: Materials Data on GdPbAu by Materials Project

description: GdAuPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded to four equivalent Au and six equivalent Pb atoms to form a mixture of distorted face and corner-sharing GdPb6Au4 tetrahedra. All Gd–Au bond lengths are 2.99 Å. All Gd–Pb bond lengths are 3.46 Å. Au is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Pb atoms. All Au–Pb bond lengths are 2.99 Å. Pb is bonded in a distorted q6 geometry to six equivalent Gd and four equivalent Au atoms.
DOI: 10.17188/1195540
title: Materials Data on SmFeB4 by Materials Project

description: SmFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.63–2.74 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.22–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.90 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sm3+, four equivalent Fe3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Fe3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Fe3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å.
DOI: 10.17188/1195541
title: Materials Data on SiRh2 by Materials Project

description: Rh2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.42–2.47 Å. In the second Rh site, Rh is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Rh–Si bond lengths. Si is bonded in a 7-coordinate geometry to seven Rh atoms.
DOI: 10.17188/1195542
title: Materials Data on Ca4In2N by Materials Project

description: Ca4In2N crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a single-bond geometry to six equivalent In and one N atom. There are two shorter (3.36 Å) and four longer (3.50 Å) Ca–In bond lengths. The Ca–N bond length is 2.37 Å. In the second Ca site, Ca is bonded in a linear geometry to four equivalent In and two equivalent N atoms. There are two shorter (3.60 Å) and two longer (3.63 Å) Ca–In bond lengths. Both Ca–N bond lengths are 2.47 Å. In is bonded to ten Ca and two equivalent In atoms to form distorted InCa10In2 cuboctahedra that share corners with eight equivalent InCa10In2 cuboctahedra, corners with two equivalent NCa6 octahedra, edges with four equivalent InCa10In2 cuboctahedra, faces with seven equivalent InCa10In2 cuboctahedra, and faces with four equivalent NCa6 octahedra. The corner-sharing octahedral tilt angles are 47°. Both In–In bond lengths are 3.18 Å. N is bonded to six Ca atoms to form NCa6 octahedra that share corners with four equivalent InCa10In2 cuboctahedra, corners with four equivalent NCa6 octahedra, and faces with eight equivalent InCa10In2 cuboctahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1195543
title: Materials Data on HoNi3 by Materials Project

description: HoNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.83–3.07 Å. In the second Ho site, Ho is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.85 Å) and twelve longer (3.17 Å) Ho–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiHo5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.50 Å. In the second Ni site, Ni is bonded to six equivalent Ho and six equivalent Ni atoms to form NiHo6Ni6 cuboctahedra that share corners with twelve equivalent NiHo5Ni7 cuboctahedra, edges with six equivalent NiHo6Ni6 cuboctahedra, and faces with eighteen equivalent NiHo5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.
DOI: 10.17188/1195546
title: Materials Data on KGdTe2 by Materials Project

description: KGdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent GdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All K–Te bond lengths are 3.53 Å. Gd3+ is bonded to six equivalent Te2- atoms to form GdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Gd–Te bond lengths are 3.15 Å. Te2- is bonded to three equivalent K1+ and three equivalent Gd3+ atoms to form a mixture of edge and corner-sharing TeK3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195547
title: Materials Data on KMnP by Materials Project

description: KMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one KMnP sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All K–P bond lengths are 3.28 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.29 Å. P3- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1195548
title: Materials Data on Nd3SnC by Materials Project

description: Nd3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Nd3Sn framework. In the Nd3Sn framework, Nd is bonded in a linear geometry to two equivalent Sn atoms. Both Nd–Sn bond lengths are 2.91 Å. Sn is bonded to six equivalent Nd atoms to form corner-sharing SnNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195549
title: Materials Data on MgCo3C by Materials Project

description: MgCCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Co atoms to form MgCo12 cuboctahedra that share corners with twelve equivalent MgCo12 cuboctahedra, faces with six equivalent MgCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Mg–Co bond lengths are 2.67 Å. Co is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both Co–C bond lengths are 1.89 Å. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent MgCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195550
title: Materials Data on NpSi3 by Materials Project

description: NpSi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of face and corner-sharing NpSi12 cuboctahedra. All Np–Si bond lengths are 2.83 Å. Si+1.33- is bonded in a distorted square co-planar geometry to four equivalent Np4+ atoms.
DOI: 10.17188/1195551
title: Materials Data on Fe2As by Materials Project

description: Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.
DOI: 10.17188/1195552
title: Materials Data on LiCeGe2 by Materials Project

description: LiCeGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.56–2.75 Å. Ce is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.10–3.46 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ce, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ce, and two equivalent Ge atoms.
DOI: 10.17188/1195553
title: Materials Data on Er3PbC by Materials Project

description: Er3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3Pb framework. In the Er3Pb framework, Er is bonded in a linear geometry to two equivalent Pb atoms. Both Er–Pb bond lengths are 2.81 Å. Pb is bonded to six equivalent Er atoms to form corner-sharing PbEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.