cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195477
title: Materials Data on GdGa by Materials Project

description: GdGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Gd–Ga bond distances ranging from 3.10–3.22 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Gd and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.
DOI: 10.17188/1195478
title: Materials Data on MgMnGe by Materials Project

description: MgMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Mg–Mn bond lengths are 2.92 Å. There are one shorter (2.82 Å) and four longer (2.83 Å) Mg–Ge bond lengths. Mn is bonded to four equivalent Mg and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing MnMg4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.50 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Mg and four equivalent Mn atoms.
DOI: 10.17188/1195479
title: Materials Data on Ce2CoSi3 by Materials Project

description: Ce2CoSi3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.08 Å. In the second Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form face-sharing CeSi12 cuboctahedra. All Ce–Si bond lengths are 3.13 Å. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to six Ce4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.
DOI: 10.25934/00002523.0
title: Available IPD datapackage for study 'A Phase 2, Randomized, Placebo-Controlled, Double-Blind Study to Determine the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of MLN0002 Following Multiple Intravenous Doses in Patients With Ulcerative Colitis'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.17188/1195480
title: Materials Data on Ce2SbO2 by Materials Project

description: Ce2SbO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four equivalent O2- atoms. All Ce–Sb bond lengths are 3.46 Å. All Ce–O bond lengths are 2.34 Å. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Ce3+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.25934/00002523.1
title: IPD datapackage for study 'A Phase 2, Randomized, Placebo-Controlled, Double-Blind Study to Determine the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of MLN0002 Following Multiple Intravenous Doses in Patients With Ulcerative Colitis' and research request: 'Early changes in inflammatory biomarkers and long-term outcomes in patients with IBD: A pooled post-hoc analyses of clinical trials'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.17188/1195481
title: Materials Data on Ce2InPt2 by Materials Project

description: Ce2Pt2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent In atoms. There are two shorter (2.88 Å) and four longer (3.06 Å) Ce–Pt bond lengths. All Ce–In bond lengths are 3.46 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ce, one Pt, and two equivalent In atoms. The Pt–Pt bond length is 2.91 Å. Both Pt–In bond lengths are 3.08 Å. In is bonded to eight equivalent Ce and four equivalent Pt atoms to form a mixture of corner and face-sharing InCe8Pt4 cuboctahedra.
DOI: 10.17188/1195482
title: Materials Data on UInAu2 by Materials Project

description: UInAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All U–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to four equivalent U and four equivalent In atoms. All Au–In bond lengths are 3.06 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1195483
title: Materials Data on PuIn3 by Materials Project

description: PuIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent In atoms to form PuIn12 cuboctahedra that share corners with twelve equivalent PuIn12 cuboctahedra, edges with twenty-four equivalent InPu4In8 cuboctahedra, faces with six equivalent PuIn12 cuboctahedra, and faces with twelve equivalent InPu4In8 cuboctahedra. All Pu–In bond lengths are 3.30 Å. In is bonded to four equivalent Pu and eight equivalent In atoms to form distorted InPu4In8 cuboctahedra that share corners with twelve equivalent InPu4In8 cuboctahedra, edges with eight equivalent PuIn12 cuboctahedra, edges with sixteen equivalent InPu4In8 cuboctahedra, faces with four equivalent PuIn12 cuboctahedra, and faces with fourteen equivalent InPu4In8 cuboctahedra. All In–In bond lengths are 3.30 Å.
DOI: 10.17188/1195484
title: Materials Data on Mn3NiN by Materials Project

description: Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Mn–Ni bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.92 Å. Ni is bonded to twelve equivalent Mn atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent NiMn12 cuboctahedra, faces with six equivalent NiMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent NiMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195485
title: Materials Data on LiGa2Pt by Materials Project

description: LiPtGa2 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 Pt and eight equivalent Ga atoms. All Li–Pt bond lengths are 3.09 Å. All Li–Ga bond lengths are 2.67 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Pt–Ga bond lengths are 2.67 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.
DOI: 10.17188/1195486
title: Materials Data on K3Rh(NO2)6 by Materials Project

description: K(K(NO2)3)2Rh crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four potassium molecules, four rhodium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.68 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.12 Å. O2- is bonded to two equivalent K1+, two equivalent N3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OK2N2O square pyramids. The O–O bond length is 1.34 Å.
DOI: 10.17188/1195487
title: Materials Data on NpGe3 by Materials Project

description: NpGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent Ge atoms to form a mixture of corner and face-sharing NpGe12 cuboctahedra. All Np–Ge bond lengths are 2.99 Å. Ge is bonded in a distorted square co-planar geometry to four equivalent Np atoms.
DOI: 10.17188/1195488
title: Materials Data on Sm3Ga by Materials Project

description: Sm3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Ga atoms to form distorted SmSm8Ga4 cuboctahedra that share corners with twelve equivalent SmSm8Ga4 cuboctahedra, edges with eight equivalent GaSm12 cuboctahedra, edges with sixteen equivalent SmSm8Ga4 cuboctahedra, faces with four equivalent GaSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Ga4 cuboctahedra. All Sm–Sm bond lengths are 3.40 Å. All Sm–Ga bond lengths are 3.40 Å. Ga is bonded to twelve equivalent Sm atoms to form GaSm12 cuboctahedra that share corners with twelve equivalent GaSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Ga4 cuboctahedra, faces with six equivalent GaSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ga4 cuboctahedra.
DOI: 10.17188/1195489
title: Materials Data on CeIn3 by Materials Project

description: CeIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent In atoms to form CeIn12 cuboctahedra that share corners with twelve equivalent CeIn12 cuboctahedra, edges with twenty-four equivalent InCe4In8 cuboctahedra, faces with six equivalent CeIn12 cuboctahedra, and faces with twelve equivalent InCe4In8 cuboctahedra. All Ce–In bond lengths are 3.33 Å. In is bonded to four equivalent Ce and eight equivalent In atoms to form distorted InCe4In8 cuboctahedra that share corners with twelve equivalent InCe4In8 cuboctahedra, edges with eight equivalent CeIn12 cuboctahedra, edges with sixteen equivalent InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with fourteen equivalent InCe4In8 cuboctahedra. All In–In bond lengths are 3.33 Å.
DOI: 10.17188/1195490
title: Materials Data on UCuPO by Materials Project

description: UCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All U–P bond lengths are 2.96 Å. All U–O bond lengths are 2.31 Å. Cu1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.38 Å. P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.
DOI: 10.17188/1195491
title: Materials Data on Ce by Materials Project

description: Ce is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve Ce atoms to form a mixture of edge, face, and corner-sharing CeCe12 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.40 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to twelve Ce atoms to form a mixture of edge, face, and corner-sharing CeCe12 cuboctahedra. All Ce–Ce bond lengths are 3.37 Å.
DOI: 10.17188/1195492
title: Materials Data on Co3B by Materials Project

description: Co3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are two shorter (2.05 Å) and one longer (2.27 Å) Co–B bond lengths. In the second Co1+ site, Co1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Co–B bond lengths. B3- is bonded in a 6-coordinate geometry to eight Co1+ atoms.
DOI: 10.17188/1195493
title: Materials Data on Ho2C(NO)2 by Materials Project

description: Ho2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Ho–N bond lengths are 2.57 Å. There are three shorter (2.23 Å) and one longer (2.29 Å) Ho–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Ho3+ and one C4+ atom. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.
DOI: 10.17188/1195494
title: Materials Data on Ce(BO2)3 by Materials Project

description: CeB3O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.86 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.46 Å) and two longer (1.50 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two B3+ atoms.
DOI: 10.17188/1195495
title: Materials Data on CaInAu by Materials Project

description: CaAuIn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Au and six equivalent In atoms. There are one shorter (3.19 Å) and four longer (3.26 Å) Ca–Au bond lengths. There are a spread of Ca–In bond distances ranging from 3.39–3.48 Å. Au is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent In atoms. There are a spread of Au–In bond distances ranging from 2.83–2.93 Å. In is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Au atoms.
DOI: 10.17188/1195496
title: Materials Data on Sm3S4 by Materials Project

description: Sm3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm+2.67+ is bonded to eight equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing SmS8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (3.03 Å) Sm–S bond lengths. S2- is bonded to six equivalent Sm+2.67+ atoms to form a mixture of distorted edge, face, and corner-sharing SSm6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.
DOI: 10.17188/1195497
title: Materials Data on HoMnSi by Materials Project

description: HoMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Si atoms. There are a spread of Ho–Mn bond distances ranging from 2.96–3.32 Å. There are two shorter (2.91 Å) and three longer (2.96 Å) Ho–Si bond lengths. Mn is bonded in a 4-coordinate geometry to six equivalent Ho and four equivalent Si atoms. There are three shorter (2.47 Å) and one longer (2.71 Å) Mn–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Mn atoms.
DOI: 10.17188/1195498
title: Materials Data on HfGaPd by Materials Project

description: HfPdGa crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Pd and six equivalent Ga atoms. There are a spread of Hf–Pd bond distances ranging from 2.78–2.87 Å. There are a spread of Hf–Ga bond distances ranging from 2.97–3.14 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.60 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Pd atoms.
DOI: 10.17188/1195499
title: Materials Data on Ti6Sn5 by Materials Project

description: Ti6Sn5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 7-coordinate geometry to four equivalent Ti and seven Sn atoms. All Ti–Ti bond lengths are 3.12 Å. There are a spread of Ti–Sn bond distances ranging from 2.85–2.99 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to six Ti and six Sn atoms. Both Ti–Ti bond lengths are 2.86 Å. There are four shorter (2.83 Å) and two longer (3.04 Å) Ti–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ti and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.86 Å.
DOI: 10.17188/1195500
title: Materials Data on TbSiIr by Materials Project

description: TbIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Tb–Ir bond distances ranging from 2.99–3.32 Å. There are two shorter (2.97 Å) and three longer (3.02 Å) Tb–Si bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.48–2.59 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ir atoms.
DOI: 10.17188/1195514
title: Materials Data on CeAgAs2 by Materials Project

description: CeAgAs2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are three shorter (3.04 Å) and five longer (3.05 Å) Ce–As bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–As bond distances ranging from 2.79–2.84 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As2- atoms. All As–As bond lengths are 2.90 Å.
DOI: 10.17188/1195515
title: Materials Data on Nd3InC by Materials Project

description: Nd3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Nd–In bond lengths are 3.63 Å. Both Nd–C bond lengths are 2.57 Å. In is bonded to twelve equivalent Nd atoms to form InNd12 cuboctahedra that share corners with twelve equivalent InNd12 cuboctahedra, faces with six equivalent InNd12 cuboctahedra, and faces with eight equivalent CNd6 octahedra. C is bonded to six equivalent Nd atoms to form CNd6 octahedra that share corners with six equivalent CNd6 octahedra and faces with eight equivalent InNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195516
title: Materials Data on EuSn3 by Materials Project

description: EuSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Sn atoms to form a mixture of face and corner-sharing EuSn12 cuboctahedra. All Eu–Sn bond lengths are 3.39 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Eu atoms.
DOI: 10.17188/1195517
title: Materials Data on Pr3PbC by Materials Project

description: Pr3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one medicinal charcoal molecule and one Pr3Pb framework. In the Pr3Pb framework, Pr is bonded in a linear geometry to two equivalent Pb atoms. Both Pr–Pb bond lengths are 2.97 Å. Pb is bonded to six equivalent Pr atoms to form corner-sharing PbPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195518
title: Materials Data on Na2CdPb by Materials Project

description: Na2CdPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Pb atoms to form distorted corner-sharing NaPb4 tetrahedra. All Na–Pb bond lengths are 3.25 Å. In the second Na site, Na is bonded to four equivalent Cd atoms to form distorted corner-sharing NaCd4 tetrahedra. All Na–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pb atoms. All Cd–Pb bond lengths are 3.25 Å. Pb is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Cd atoms.
DOI: 10.17188/1195519
title: Materials Data on ScMn2 by Materials Project

description: Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.
DOI: 10.17188/1195520
title: Materials Data on PrSnPt by Materials Project

description: PrPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.12 Å) and one longer (3.15 Å) Pr–Pt bond lengths. There are two shorter (3.32 Å) and four longer (3.46 Å) Pr–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.92 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four Pt atoms.