cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1693250
title: Materials Data on Y2ZnHg by Materials Project

description: Y2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2HgZn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Hg and one Zn atom. The Y–Hg bond length is 3.00 Å. The Y–Zn bond length is 3.03 Å. Hg is bonded in a linear geometry to two equivalent Y atoms. Zn is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1693251
title: Materials Data on Li4V(PO3)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1693252
title: Materials Data on LaNdCuO4 by Materials Project

description: LaNdCuO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.75 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.30–3.03 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are four shorter (1.90 Å) and two longer (2.43 Å) Cu–O bond lengths. In the second Cu2+ site, Cu2+ is bonded to six O2- atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are four shorter (1.91 Å) and two longer (2.41 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+, two equivalent La3+, and two Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OLa2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Nd3+, two equivalent La3+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, three equivalent La3+, and one Cu2+ atom.
DOI: 10.17188/1693253
title: Materials Data on Pm2MgS4 by Materials Project

description: MgPm2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with six PmS6 octahedra and edges with three PmS6 octahedra. The corner-sharing octahedra tilt angles range from 59–64°. There are a spread of Mg–S bond distances ranging from 2.41–2.49 Å. There are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded to six S2- atoms to form PmS6 octahedra that share corners with four equivalent PmS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four PmS6 octahedra, and edges with two equivalent MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Pm–S bond distances ranging from 2.80–2.85 Å. In the second Pm3+ site, Pm3+ is bonded to six S2- atoms to form PmS6 octahedra that share corners with eight PmS6 octahedra, corners with four equivalent MgS4 tetrahedra, edges with two equivalent PmS6 octahedra, and an edgeedge with one MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Pm–S bond distances ranging from 2.80–2.89 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Pm3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Pm3+ atoms. In the third S2- site, S2- is bonded to one Mg2+ and three Pm3+ atoms to form distorted corner-sharing SPm3Mg trigonal pyramids.
DOI: 10.17188/1693254
title: Materials Data on Sr9CaSi6 by Materials Project

description: Sr9CaSi6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sr–Si bond distances ranging from 3.23–3.44 Å. In the second Sr site, Sr is bonded in a square co-planar geometry to four equivalent Si atoms. All Sr–Si bond lengths are 3.29 Å. Ca is bonded in a square co-planar geometry to four equivalent Si atoms. All Ca–Si bond lengths are 3.22 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Sr, one Ca, and one Si atom. The Si–Si bond length is 2.48 Å.
DOI: 10.5517/ccdc.csd.cc2706xd
title: CCDC 2055793: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2706zg
title: CCDC 2055795: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.17188/1693255
title: Materials Data on Ca2LaGaCu2O7 by Materials Project

description: Ca2LaCu2GaO7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.86 Å. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.57 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one GaO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.94–2.24 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and corners with two equivalent GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+, two equivalent La3+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Ga3+ atoms to form distorted OCa2Ga2 tetrahedra that share corners with four equivalent OCa2La2Cu2 octahedra and corners with two equivalent OCa2Ga2 tetrahedra. The corner-sharing octahedra tilt angles range from 15–51°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Cu2+, and one Ga3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Ca2+, two equivalent La3+, and two equivalent Cu2+ atoms to form distorted OCa2La2Cu2 octahedra that share corners with four equivalent OCa2La2Cu2 octahedra, corners with two equivalent OCa2Ga2 tetrahedra, and faces with two equivalent OCa2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 1–66°.
DOI: 10.5517/ccdc.csd.cc27070j
title: CCDC 2055796: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc27071k
title: CCDC 2055797: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc270c2q
title: CCDC 2055922: Experimental Crystal Structure Determination

description: Related Article: Frank R. Fronczek|2021|CSD Communication|||
DOI: 10.17188/1693256
title: Materials Data on Pr(NiBi)2 by Materials Project

description: Pr(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Ni and eight Bi atoms. There are four shorter (3.33 Å) and four longer (3.61 Å) Pr–Ni bond lengths. There are four shorter (3.47 Å) and four longer (3.63 Å) Pr–Bi bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Bi atoms. There are one shorter (2.58 Å) and four longer (2.67 Å) Ni–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms.
DOI: 10.5517/ccdc.csd.cc270mzw
title: CCDC 2056198: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2711cq
title: CCDC 2056582: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2711dr
title: CCDC 2056583: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.17188/1693259
title: Materials Data on TmSbMo2O9 by Materials Project

description: TmMo2SbO9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.28–2.43 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.31–2.39 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.30 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Tm3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+, one Mo6+, and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Tm3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Sb3+ atom.
DOI: 10.5517/ccdc.csd.cc2711fs
title: CCDC 2056584: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, R.W. Harrington|2021|CSD Communication|||
DOI: 10.17188/1693260
title: Materials Data on URuC2 by Materials Project

description: URuC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded to seven C4- atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent UC7 pentagonal bipyramids, corners with three equivalent RuC5 trigonal bipyramids, edges with four equivalent UC7 pentagonal bipyramids, edges with seven equivalent RuC5 trigonal bipyramids, and faces with two equivalent UC7 pentagonal bipyramids. There are a spread of U–C bond distances ranging from 2.38–2.53 Å. Ru2+ is bonded to five C4- atoms to form RuC5 trigonal bipyramids that share corners with three equivalent UC7 pentagonal bipyramids, corners with four equivalent RuC5 trigonal bipyramids, edges with seven equivalent UC7 pentagonal bipyramids, and edges with two equivalent RuC5 trigonal bipyramids. There are a spread of Ru–C bond distances ranging from 2.07–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U6+ and two equivalent Ru2+ atoms to form a mixture of face, edge, and corner-sharing CU4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 14–58°. In the second C4- site, C4- is bonded to three equivalent U6+ and three equivalent Ru2+ atoms to form a mixture of face, edge, and corner-sharing CU3Ru3 octahedra. The corner-sharing octahedra tilt angles range from 14–58°.
DOI: 10.17188/1693261
title: Materials Data on KNaTe(HO)6 by Materials Project

description: KNaTe(HO)6 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six O2- atoms. All K–H bond lengths are 2.86 Å. There are three shorter (2.91 Å) and three longer (3.14 Å) K–O bond lengths. Na1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.57 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms.
DOI: 10.17188/1693262
title: Materials Data on CuSnAu by Materials Project

description: AuCuSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded in a 9-coordinate geometry to four equivalent Cu and five equivalent Sn atoms. All Au–Cu bond lengths are 2.68 Å. There are one shorter (2.79 Å) and four longer (2.98 Å) Au–Sn bond lengths. Cu is bonded in a 12-coordinate geometry to four equivalent Au and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.91 Å. Sn is bonded in a 5-coordinate geometry to five equivalent Au and four equivalent Cu atoms.
DOI: 10.17188/1693263
title: Materials Data on Dy3Mg2MoS8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1693264
title: Materials Data on Nd(BIr)2 by Materials Project

description: Nd(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.08 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are two shorter (3.04 Å) and four longer (3.15 Å) Nd–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent B atoms. There are two shorter (2.10 Å) and two longer (2.18 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Nd and four equivalent Ir atoms.
DOI: 10.5445/ir/1000128887
title: Regression Coefficients of parametrisation of function of natural atmospheric variability

description: Regression coefficients of parametrisation of natural atmospheric variability as function of distance and time separation for the atmospheric trace gases: BrO, BrONO$_2$, CH$_3$CL, HNO$_3$, N$_2$O$_5$, CCl$_4$, CFC$_{11}$, CFC$_{113}$, CFC$_{12}$, CH$_4$, ClO, ClONO$_2$, CO, CO$_2$, H$_2$O, HBr, HCl, HF, HNO$_4$, HO$_2$, HOBr, HOCl,, N$_2$O, NO, NO$_2$, NO$_3$, O$_3$, OH, and temperature, calculated on BASCOE model data for ESA VACUUM'R Project.
DOI: 10.17188/1693265
title: Materials Data on Pm3Pa by Materials Project

description: PaPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa is bonded to twelve Pm atoms to form PaPm12 cuboctahedra that share corners with four equivalent PaPm12 cuboctahedra, corners with eight equivalent PmPm8Pa4 cuboctahedra, edges with eight equivalent PaPm12 cuboctahedra, edges with sixteen equivalent PmPm8Pa4 cuboctahedra, faces with four equivalent PaPm12 cuboctahedra, and faces with fourteen PmPm8Pa4 cuboctahedra. There are four shorter (3.52 Å) and eight longer (3.55 Å) Pa–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Pa and eight Pm atoms to form PmPm8Pa4 cuboctahedra that share corners with twelve equivalent PmPm8Pa4 cuboctahedra, edges with eight equivalent PaPm12 cuboctahedra, edges with sixteen PmPm8Pa4 cuboctahedra, faces with four equivalent PaPm12 cuboctahedra, and faces with fourteen PmPm8Pa4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.55 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Pa and eight equivalent Pm atoms to form distorted PmPm8Pa4 cuboctahedra that share corners with four equivalent PmPm8Pa4 cuboctahedra, corners with eight equivalent PaPm12 cuboctahedra, edges with twenty-four PmPm8Pa4 cuboctahedra, faces with six equivalent PaPm12 cuboctahedra, and faces with twelve PmPm8Pa4 cuboctahedra.
DOI: 10.17188/1693266
title: Materials Data on PmEuPd2 by Materials Project

description: EuPmPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Eu–Pd bond lengths are 3.14 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pm–Pd bond lengths are 3.14 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Pm atoms.
DOI: 10.17188/1693267
title: Materials Data on TmMgPd2 by Materials Project

description: MgTmPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mg–Pd bond lengths are 2.90 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 2.90 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1693268
title: Materials Data on YAlFe by Materials Project

description: AlFeY crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Al atoms. There are two shorter (3.03 Å) and four longer (3.22 Å) Y–Fe bond lengths. There are four shorter (3.13 Å) and two longer (3.18 Å) Y–Al bond lengths. Fe is bonded to six equivalent Y, two equivalent Fe, and four equivalent Al atoms to form FeY6Al4Fe2 cuboctahedra that share corners with eight equivalent AlY6Al2Fe4 cuboctahedra, corners with ten equivalent FeY6Al4Fe2 cuboctahedra, edges with six equivalent FeY6Al4Fe2 cuboctahedra, faces with six equivalent FeY6Al4Fe2 cuboctahedra, and faces with twelve equivalent AlY6Al2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.67 Å. All Fe–Al bond lengths are 2.67 Å. Al is bonded to six equivalent Y, four equivalent Fe, and two equivalent Al atoms to form AlY6Al2Fe4 cuboctahedra that share corners with eight equivalent FeY6Al4Fe2 cuboctahedra, corners with ten equivalent AlY6Al2Fe4 cuboctahedra, edges with six equivalent AlY6Al2Fe4 cuboctahedra, faces with six equivalent AlY6Al2Fe4 cuboctahedra, and faces with twelve equivalent FeY6Al4Fe2 cuboctahedra. Both Al–Al bond lengths are 2.75 Å.
DOI: 10.17188/1693269
title: Materials Data on CuSnPd2 by Materials Project

description: Pd2CuSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2CuSn ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Cu and one Sn atom. The Pd–Cu bond length is 2.47 Å. The Pd–Sn bond length is 2.43 Å. Cu is bonded in a linear geometry to two equivalent Pd atoms. Sn is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1693270
title: Materials Data on Li2MnVP2(O4F)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1693271
title: Materials Data on Nd5P12Ru19 by Materials Project

description: Nd5Ru19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to ten Ru and six P atoms. There are a spread of Nd–Ru bond distances ranging from 3.07–3.37 Å. There are four shorter (3.08 Å) and two longer (3.13 Å) Nd–P bond lengths. In the second Nd site, Nd is bonded in a 6-coordinate geometry to nine Ru and six equivalent P atoms. There are three shorter (3.16 Å) and six longer (3.17 Å) Nd–Ru bond lengths. All Nd–P bond lengths are 3.02 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. All Ru–P bond lengths are 2.36 Å. In the second Ru site, Ru is bonded in a distorted single-bond geometry to six Ru and five P atoms. There are two shorter (2.85 Å) and four longer (2.91 Å) Ru–Ru bond lengths. There are one shorter (2.28 Å) and four longer (2.82 Å) Ru–P bond lengths. In the third Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Ru, and four P atoms. All Ru–Ru bond lengths are 2.84 Å. There are two shorter (2.30 Å) and two longer (2.36 Å) Ru–P bond lengths. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to three Nd, five Ru, and four P atoms. Both Ru–Ru bond lengths are 2.84 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.42 Å. In the fifth Ru site, Ru is bonded in a 12-coordinate geometry to three Nd, five Ru, and four P atoms. The Ru–Ru bond length is 2.73 Å. There are a spread of Ru–P bond distances ranging from 2.33–2.52 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent Nd and five Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Nd and seven Ru atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Nd and seven Ru atoms.