cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195710
title: Materials Data on CeGeAu by Materials Project

description: CeAuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are a spread of Ce–Au bond distances ranging from 3.18–3.36 Å. There are a spread of Ce–Ge bond distances ranging from 3.17–3.50 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.66–2.99 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and four equivalent Au atoms.
DOI: 10.17188/1195711
title: Materials Data on Ba(CoAs)2 by Materials Project

description: BaCo2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.43 Å. Co2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.33 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1195712
title: Materials Data on MnCoGe by Materials Project

description: MnCoGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to two equivalent Mn, six equivalent Co, and six equivalent Ge atoms. Both Mn–Mn bond lengths are 2.57 Å. All Mn–Co bond lengths are 2.69 Å. All Mn–Ge bond lengths are 2.69 Å. Co is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Ge atoms. There are three shorter (2.36 Å) and two longer (2.57 Å) Co–Ge bond lengths. Ge is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Co atoms.
DOI: 10.17188/1195713
title: Materials Data on MgIn3 by Materials Project

description: MgIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent In atoms to form MgIn12 cuboctahedra that share corners with twelve equivalent MgIn12 cuboctahedra, edges with twenty-four equivalent InMg4In8 cuboctahedra, faces with six equivalent MgIn12 cuboctahedra, and faces with twelve equivalent InMg4In8 cuboctahedra. All Mg–In bond lengths are 3.30 Å. In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with twelve equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen equivalent InMg4In8 cuboctahedra. All In–In bond lengths are 3.30 Å.
DOI: 10.17188/1195714
title: Materials Data on LiGa2Ru by Materials Project

description: LiRuGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Ru and eight equivalent Ga atoms. All Li–Ru bond lengths are 3.03 Å. All Li–Ga bond lengths are 2.62 Å. Ru is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.62 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms.
DOI: 10.17188/1195715
title: Materials Data on LaAgGe by Materials Project

description: LaAgGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded to six equivalent Ag and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing LaAg6Ge6 cuboctahedra. There are three shorter (3.26 Å) and three longer (3.39 Å) La–Ag bond lengths. There are three shorter (3.17 Å) and three longer (3.50 Å) La–Ge bond lengths. Ag is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.69 Å. Ge is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ag atoms.
DOI: 10.17188/1195716
title: Materials Data on DyB2 by Materials Project

description: DyB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing DyB12 cuboctahedra. All Dy–B bond lengths are 2.71 Å. B is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent B atoms. All B–B bond lengths are 1.90 Å.
DOI: 10.17188/1195717
title: Materials Data on DySiPt by Materials Project

description: DyPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Si atoms. There are a spread of Dy–Pt bond distances ranging from 2.99–3.21 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.18 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.51–2.71 Å. Si is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pt atoms.
DOI: 10.17188/1195718
title: Materials Data on DyMgIn by Materials Project

description: MgDyIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.97 Å) Mg–In bond lengths. Dy is bonded in a 5-coordinate geometry to five In atoms. There are four shorter (3.23 Å) and one longer (3.27 Å) Dy–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Dy atoms. In the second In site, In is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Dy atoms.
DOI: 10.17188/1195719
title: Materials Data on Nd2InGe2 by Materials Project

description: Nd2Ge2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Nd–In bond lengths are 3.54 Å. There are two shorter (3.07 Å) and four longer (3.18 Å) Nd–Ge bond lengths. In is bonded to eight equivalent Nd and four equivalent Ge atoms to form a mixture of corner and face-sharing InNd8Ge4 cuboctahedra. All In–Ge bond lengths are 3.03 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Nd, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1195720
title: Materials Data on Ge2Pt3 by Materials Project

description: Ge2Pt3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Ge3+ atoms. There are one shorter (2.58 Å) and four longer (2.64 Å) Pt–Ge bond lengths. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Ge3+ atoms. There are three shorter (2.58 Å) and two longer (2.69 Å) Pt–Ge bond lengths. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the second Ge3+ site, Ge3+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.
DOI: 10.17188/1195721
title: Materials Data on Eu(BIr)4 by Materials Project

description: Eu(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent B atoms. All Eu–B bond lengths are 2.92 Å. Ir is bonded in a 4-coordinate geometry to four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.17 Å. B is bonded in a 6-coordinate geometry to one Eu, four equivalent Ir, and one B atom. The B–B bond length is 1.87 Å.
DOI: 10.17188/1195722
title: Materials Data on DyCoSn2 by Materials Project

description: DyCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Dy–Co bond lengths are 3.31 Å. There are a spread of Dy–Sn bond distances ranging from 3.29–3.73 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.42–2.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Dy, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.84 Å.
DOI: 10.17188/1195723
title: Materials Data on Ni3B by Materials Project

description: Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.30 Å. In the second Ni1+ site, Ni1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.02 Å. B3- is bonded in a 6-coordinate geometry to eight Ni1+ atoms.
DOI: 10.17188/1195724
title: Materials Data on Ca3In by Materials Project

description: Ca3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Ca and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing CaCa4In4 tetrahedra. All Ca–Ca bond lengths are 3.50 Å. All Ca–In bond lengths are 3.50 Å. In the second Ca site, Ca is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1195725
title: Materials Data on LaIn by Materials Project

description: LaIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent In atoms. All La–In bond lengths are 3.43 Å. In is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1195726
title: Materials Data on RbEuS2 by Materials Project

description: RbEuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–S bond lengths are 3.39 Å. Eu3+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Eu–S bond lengths are 2.87 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Eu3+ atoms to form a mixture of edge and corner-sharing SRb3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195727
title: Materials Data on VCo2Si by Materials Project

description: Co2VSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V2+ is bonded in a 8-coordinate geometry to eight equivalent Co1+ and six equivalent Si4- atoms. All V–Co bond lengths are 2.46 Å. All V–Si bond lengths are 2.84 Å. Co1+ is bonded in a distorted body-centered cubic geometry to four equivalent V2+ and four equivalent Si4- atoms. All Co–Si bond lengths are 2.46 Å. Si4- is bonded in a 8-coordinate geometry to six equivalent V2+ and eight equivalent Co1+ atoms.
DOI: 10.17188/1195728
title: Materials Data on EuS by Materials Project

description: EuS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–S bond lengths are 2.92 Å. S2- is bonded to six equivalent Eu2+ atoms to form a mixture of edge and corner-sharing SEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195729
title: Materials Data on ZrCuSiP by Materials Project

description: ZrCuSiP is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent Si4- and four equivalent P1- atoms. All Zr–Si bond lengths are 2.82 Å. All Zr–P bond lengths are 2.71 Å. Cu1+ is bonded to four equivalent P1- atoms to form a mixture of distorted corner and edge-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.43 Å. Si4- is bonded to four equivalent Zr4+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.54 Å. P1- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1195730
title: Materials Data on NbAs by Materials Project

description: NbAs is alpha Niobium phosphide structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing NbAs6 pentagonal pyramids. All Nb–As bond lengths are 2.64 Å. As3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted corner, edge, and face-sharing AsNb6 pentagonal pyramids.
DOI: 10.17188/1195731
title: Materials Data on La3InB by Materials Project

description: La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195732
title: Materials Data on Yb2InGe2 by Materials Project

description: Yb2InGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Yb–In bond lengths are 3.50 Å. There are two shorter (3.06 Å) and four longer (3.12 Å) Yb–Ge bond lengths. In is bonded to eight equivalent Yb and four equivalent Ge atoms to form a mixture of corner and face-sharing InYb8Ge4 cuboctahedra. All In–Ge bond lengths are 2.91 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1195733
title: Materials Data on CeS2 by Materials Project

description: CeS2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. The S–S bond length is 2.12 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. In the third S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the fourth S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids.
DOI: 10.17188/1195734
title: Materials Data on Eu(AlSi)2 by Materials Project

description: EuAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Si4- atoms to form EuSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent EuSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Eu–Si bond lengths are 3.07 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent EuSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent EuSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.53 Å) and one longer (2.59 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Eu2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiEu3Al4 pentagonal bipyramids.
DOI: 10.17188/1195735
title: Materials Data on U(SiNi)2 by Materials Project

description: UNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.02 Å. Ni2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.33 Å.
DOI: 10.17188/1195736
title: Materials Data on TbMnSi by Materials Project

description: TbMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Si atoms. There are a spread of Tb–Mn bond distances ranging from 2.98–3.38 Å. There are a spread of Tb–Si bond distances ranging from 2.96–2.99 Å. Mn is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Si atoms. There are three shorter (2.47 Å) and one longer (2.75 Å) Mn–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Mn atoms.
DOI: 10.17188/1195737
title: Materials Data on PdPb2 by Materials Project

description: Pb2Pd is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Pb atoms. Both Pd–Pd bond lengths are 2.96 Å. All Pd–Pb bond lengths are 3.02 Å. Pb is bonded in a 7-coordinate geometry to four equivalent Pd and three equivalent Pb atoms. There are one shorter (3.25 Å) and two longer (3.43 Å) Pb–Pb bond lengths.
DOI: 10.17188/1195738
title: Materials Data on Tb5Si3 by Materials Project

description: Tb5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to five equivalent Si atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.45 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Tb–Si bond lengths are 3.06 Å. Si is bonded in a 9-coordinate geometry to nine Tb atoms.
DOI: 10.17188/1195739
title: Materials Data on LuTl3 by Materials Project

description: LuTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Tl atoms to form LuTl12 cuboctahedra that share corners with twelve equivalent LuTl12 cuboctahedra, edges with twenty-four equivalent TlLu4Tl8 cuboctahedra, faces with six equivalent LuTl12 cuboctahedra, and faces with twelve equivalent TlLu4Tl8 cuboctahedra. All Lu–Tl bond lengths are 3.36 Å. Tl is bonded to four equivalent Lu and eight equivalent Tl atoms to form TlLu4Tl8 cuboctahedra that share corners with twelve equivalent TlLu4Tl8 cuboctahedra, edges with eight equivalent LuTl12 cuboctahedra, edges with sixteen equivalent TlLu4Tl8 cuboctahedra, faces with four equivalent LuTl12 cuboctahedra, and faces with fourteen equivalent TlLu4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.36 Å.
DOI: 10.17188/1195740
title: Materials Data on NdPb3 by Materials Project

description: NdPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing NdPb12 cuboctahedra. All Nd–Pb bond lengths are 3.49 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.
DOI: 10.17188/1195741
title: Materials Data on U(FeGe)2 by Materials Project

description: UFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All U–Fe bond lengths are 3.12 Å. All U–Ge bond lengths are 3.11 Å. Fe is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.32 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.48 Å.
DOI: 10.17188/1195742
title: Materials Data on CeTl3 by Materials Project

description: CeTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Tl atoms to form CeTl12 cuboctahedra that share corners with twelve equivalent CeTl12 cuboctahedra, edges with twenty-four equivalent TlCe4Tl8 cuboctahedra, faces with six equivalent CeTl12 cuboctahedra, and faces with twelve equivalent TlCe4Tl8 cuboctahedra. All Ce–Tl bond lengths are 3.41 Å. Tl is bonded to four equivalent Ce and eight equivalent Tl atoms to form distorted TlCe4Tl8 cuboctahedra that share corners with twelve equivalent TlCe4Tl8 cuboctahedra, edges with eight equivalent CeTl12 cuboctahedra, edges with sixteen equivalent TlCe4Tl8 cuboctahedra, faces with four equivalent CeTl12 cuboctahedra, and faces with fourteen equivalent TlCe4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.41 Å.
DOI: 10.17188/1195743
title: Materials Data on PbC2(SN)2 by Materials Project

description: Pb(SCN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pb–N bond lengths. There are two shorter (3.10 Å) and two longer (3.23 Å) Pb–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.