cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1651690
title: Materials Data on Mg6TiSi by Materials Project

description: Mg6TiSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Ti, and two equivalent Si atoms to form distorted MgMg8Ti2Si2 cuboctahedra that share corners with four equivalent TiMg10Si2 cuboctahedra, corners with fourteen MgMg8Ti2Si2 cuboctahedra, edges with two equivalent TiMg10Si2 cuboctahedra, edges with eight MgMg8Ti2Si2 cuboctahedra, faces with two equivalent TiMg10Si2 cuboctahedra, and faces with eight MgMg8Ti2Si2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.01–3.19 Å. There are one shorter (2.99 Å) and one longer (3.23 Å) Mg–Ti bond lengths. Both Mg–Si bond lengths are 3.05 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ti atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent TiMg10Si2 cuboctahedra, corners with fourteen MgMg8Ti2Si2 cuboctahedra, edges with two equivalent TiMg10Si2 cuboctahedra, edges with eight MgMg8Ti2Si2 cuboctahedra, faces with two equivalent TiMg10Si2 cuboctahedra, and faces with eight MgMg8Ti2Si2 cuboctahedra. There are two shorter (2.98 Å) and four longer (3.00 Å) Mg–Mg bond lengths. Both Mg–Ti bond lengths are 3.15 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, two equivalent Ti, and one Si atom. There are one shorter (3.08 Å) and one longer (3.13 Å) Mg–Mg bond lengths. Both Mg–Ti bond lengths are 3.02 Å. The Mg–Si bond length is 2.90 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Si atoms to form distorted MgMg10Si2 cuboctahedra that share corners with six equivalent MgMg10Si2 cuboctahedra, edges with twelve MgMg8Ti2Si2 cuboctahedra, faces with six equivalent TiMg10Si2 cuboctahedra, and faces with eight MgMg8Ti2Si2 cuboctahedra. Both Mg–Si bond lengths are 3.15 Å. Ti is bonded to ten Mg and two equivalent Si atoms to form TiMg10Si2 cuboctahedra that share corners with six equivalent TiMg10Si2 cuboctahedra, corners with twelve MgMg8Ti2Si2 cuboctahedra, edges with six MgMg8Ti2Si2 cuboctahedra, faces with two equivalent TiMg10Si2 cuboctahedra, and faces with twelve MgMg8Ti2Si2 cuboctahedra. Both Ti–Si bond lengths are 2.81 Å. Si is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ti atoms.
DOI: 10.17188/1651692
title: Materials Data on Si6O13 by Materials Project

description: Si6O13 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Si6O13 sheets oriented in the (1, 0, 0) direction. there are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.63 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Si atoms. In the fifth O site, O is bonded in a linear geometry to two equivalent Si atoms. In the sixth O site, O is bonded in a linear geometry to two equivalent Si atoms. In the seventh O site, O is bonded in a single-bond geometry to one Si atom. In the eighth O site, O is bonded in a single-bond geometry to one Si atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.
DOI: 10.17188/1651693
title: Materials Data on Zn7SiN6 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: 10.17188/1651694
title: Materials Data on VCo3O8 by Materials Project

description: VCo3O8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with six CoO6 octahedra and edges with three CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of V–O bond distances ranging from 1.78–2.07 Å. There are three inequivalent Co+3.67+ sites. In the first Co+3.67+ site, Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with four CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Co–O bond distances ranging from 1.83–1.99 Å. In the second Co+3.67+ site, Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with four CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Co–O bond distances ranging from 1.84–1.94 Å. In the third Co+3.67+ site, Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with four CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Co–O bond distances ranging from 1.88–2.03 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Co+3.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Co+3.67+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Co+3.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Co+3.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Co+3.67+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two Co+3.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and two Co+3.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Co+3.67+ atoms.
DOI: 10.17188/1651696
title: Materials Data on Ba2YNi3O7 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: 10.17188/1651697
title: Materials Data on Ca2MnReO6 by Materials Project

description: Ca2ReMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.81 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There is two shorter (1.94 Å) and four longer (1.95 Å) Re–O bond length. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are four shorter (2.16 Å) and two longer (2.20 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Re6+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Re6+, and one Mn2+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Re6+, and one Mn2+ atom to form distorted corner-sharing OCa2MnRe tetrahedra.
DOI: 10.17188/1651698
title: Materials Data on Li3V3P8O29 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: 10.17188/1651699
title: Materials Data on Mo6H24C8N2O19 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: 10.17188/1651700
title: Materials Data on Mn2Si2Pb2O9 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: 10.17188/1651701
title: Materials Data on Cd2Ni(ClO2)6 by Materials Project

description: (CdCl2)2Ni(O3Cl)2(O2)3 crystallizes in the orthorhombic Fdd2 space group. The structure is one-dimensional and consists of twenty-four hydrogen peroxide molecules; eight Ni(O3Cl)2 clusters; and eight CdCl2 ribbons oriented in the (1, 0, 0) direction. In each Ni(O3Cl)2 cluster, Ni is bonded in a distorted trigonal pyramidal geometry to four O atoms. There are two shorter (1.82 Å) and two longer (2.23 Å) Ni–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ni and one Cl atom. The O–Cl bond length is 1.66 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded in a single-bond geometry to one O atom. In each CdCl2 ribbon, Cd is bonded in a square co-planar geometry to four Cl atoms. There are two shorter (2.56 Å) and two longer (2.58 Å) Cd–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Cd atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Cd atoms.
DOI: 10.17188/1651703
title: Materials Data on Mg3Cu by Materials Project

description: MgMg2Cu crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Cu atoms to form distorted MgMg8Cu4 cuboctahedra that share corners with twelve equivalent CuMg10 cuboctahedra, corners with twenty-two MgMg8Cu4 cuboctahedra, edges with fourteen MgMg8Cu4 cuboctahedra, faces with four equivalent MgMg8Cu4 cuboctahedra, and faces with four equivalent CuMg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.06 Å. There are two shorter (3.00 Å) and two longer (3.02 Å) Mg–Cu bond lengths. In the second Mg site, Mg is bonded to two equivalent Mg and four equivalent Cu atoms to form distorted MgMg2Cu4 cuboctahedra that share corners with eight equivalent CuMg10 cuboctahedra, corners with sixteen MgMg8Cu4 cuboctahedra, edges with fourteen MgMg8Cu4 cuboctahedra, and faces with two equivalent MgMg2Cu4 cuboctahedra. All Mg–Cu bond lengths are 2.94 Å. In the third Mg site, Mg is bonded to four equivalent Mg and two equivalent Cu atoms to form distorted MgMg4Cu2 cuboctahedra that share corners with eight equivalent CuMg10 cuboctahedra, corners with twenty MgMg8Cu4 cuboctahedra, edges with four equivalent CuMg10 cuboctahedra, edges with ten MgMg8Cu4 cuboctahedra, and faces with two equivalent MgMg4Cu2 cuboctahedra. Both Mg–Cu bond lengths are 2.91 Å. Cu is bonded to ten Mg atoms to form distorted CuMg10 cuboctahedra that share corners with eight equivalent CuMg10 cuboctahedra, corners with twenty-eight MgMg8Cu4 cuboctahedra, edges with two equivalent CuMg10 cuboctahedra, edges with four equivalent MgMg4Cu2 cuboctahedra, faces with four equivalent MgMg8Cu4 cuboctahedra, and faces with four equivalent CuMg10 cuboctahedra.
DOI: 10.17188/1651704
title: Materials Data on Sr2NdCu2(BiO4)2 by Materials Project

description: Sr2NdCu2(BiO4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.69–2.78 Å. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.49 Å. Cu+1.50+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one BiO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.91 Å) and one longer (2.49 Å) Cu–O bond lengths. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent BiO6 octahedra, a cornercorner with one CuO5 square pyramid, and edges with eight equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Bi–O bond distances ranging from 2.12–2.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Cu+1.50+ atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with ten OSrBi5 octahedra, edges with three equivalent OSr2Nd2Cu2 octahedra, and faces with four equivalent OSr2Nd2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded to one Sr2+ and five equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSrBi5 octahedra. The corner-sharing octahedra tilt angles range from 2–44°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Cu+1.50+, and one Bi3+ atom.
DOI: 10.17188/1651705
title: Materials Data on Cs2KNa by Materials Project

description: Cs2KNa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Cs2KNa ribbons oriented in the (0, 1, 0) direction. Cs is bonded in a linear geometry to one K and one Na atom. The Cs–K bond length is 4.66 Å. The Cs–Na bond length is 4.20 Å. K is bonded in a linear geometry to two equivalent Cs atoms. Na is bonded in a linear geometry to two equivalent Cs atoms.
DOI: 10.17188/1651706
title: Materials Data on KCu3(AsO5)2 by Materials Project

description: KCu3(AsO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.25 Å. There are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with four equivalent CuO6 octahedra. There are two shorter (1.88 Å) and four longer (2.19 Å) Cu–O bond lengths. In the second Cu3+ site, Cu3+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with four CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.84–2.47 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CuO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of As–O bond distances ranging from 1.69–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent Cu3+, and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one As5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two Cu3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Cu3+ atoms.
DOI: 10.17188/1651707
title: Materials Data on Tm3Al by Materials Project

description: Tm3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Al atoms to form distorted TmTm8Al4 cuboctahedra that share corners with four equivalent AlTm12 cuboctahedra, corners with fourteen equivalent TmTm8Al4 cuboctahedra, edges with six equivalent AlTm12 cuboctahedra, edges with twelve equivalent TmTm8Al4 cuboctahedra, faces with four equivalent AlTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Al4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.23–3.49 Å. There are two shorter (3.24 Å) and two longer (3.36 Å) Tm–Al bond lengths. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with six equivalent AlTm12 cuboctahedra, corners with twelve equivalent TmTm8Al4 cuboctahedra, edges with eighteen equivalent TmTm8Al4 cuboctahedra, faces with eight equivalent AlTm12 cuboctahedra, and faces with twelve equivalent TmTm8Al4 cuboctahedra.
DOI: 10.17188/1651708
title: Materials Data on La2Cd(SeO)2 by Materials Project

description: (LaO)2CdSe2 is Bixbyite (Mn,Fe)2O4-derived structured and crystallizes in the tetragonal P4_2mc space group. The structure is two-dimensional and consists of two CdSe2 sheets oriented in the (0, 0, 1) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each CdSe2 sheet, Cd2+ is bonded to four equivalent Se2- atoms to form corner-sharing CdSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. Se2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In each LaO sheet, there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. All La–O bond lengths are 2.38 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) La–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.
DOI: 10.17188/1651709
title: Materials Data on VOF2 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: 10.17188/1651710
title: Materials Data on AlWF5 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: 10.17188/1651711
title: Materials Data on CsMoH2C2SO7 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: 10.25919/3h25-tg56
title: Parkes observations for project P1032 semester 2020OCTS_10

description: This project aims to perform rapid measurements of relativistic parameters of southern binary pulsar systems enabling measurement of their component masses, using data from the Parkes Ultra-Wideband Low (UWL) receiver and the MeerKAT telescope. We will use the UWL data to obtain significant orbital coverage on these pulsars and obtain crucial constraints on orbital and temporal DM variations that will help in constraining the nature of the companion. We will then use MeerKAT data at crucial orbital phases to improve our chances of measuring relativistic parameters, and hence the component masses. Increase in the number of measured NS masses has profound implications for NS internal structure and for stellar and binary evolution physics.
DOI: 10.17188/1651712
title: Materials Data on Gd2Re3Si5 by Materials Project

description: Gd2Re3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Gd–Si bond distances ranging from 2.84–3.23 Å. There are two inequivalent Re+4.67+ sites. In the first Re+4.67+ site, Re+4.67+ is bonded to six Si4- atoms to form a mixture of distorted corner, edge, and face-sharing ReSi6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Re–Si bond distances ranging from 2.48–2.55 Å. In the second Re+4.67+ site, Re+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.48 Å) and two longer (2.67 Å) Re–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Re+4.67+, and one Si4- atom. The Si–Si bond length is 2.72 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Gd3+, four Re+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.60 Å. In the third Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Gd3+, three Re+4.67+, and four Si4- atoms. Both Si–Si bond lengths are 2.79 Å.
DOI: 10.17188/1651713
title: Materials Data on TbPd2Pb by Materials Project

description: TbPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Tb–Pd bond lengths are 2.99 Å. All Tb–Pb bond lengths are 3.46 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Pd atoms.
DOI: 10.17188/1651714
title: Materials Data on Nd2Zn5Pb by Materials Project

description: Nd2Zn5Pb crystallizes in the orthorhombic Cmcm 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 thirteen Zn and two equivalent Pb atoms. There are a spread of Nd–Zn bond distances ranging from 3.12–3.33 Å. Both Nd–Pb bond lengths are 3.38 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to ten Zn and four equivalent Pb atoms. There are a spread of Nd–Zn bond distances ranging from 3.25–3.68 Å. All Nd–Pb bond lengths are 3.33 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Nd and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.90 Å. In the second Zn site, Zn is bonded in a distorted single-bond geometry to five Nd, three equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.77 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to five Nd, four equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.70 Å. Pb is bonded in a 9-coordinate geometry to six Nd and three Zn atoms.