cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746036
title: Materials Data on CeAlCo by Materials Project

description: CeCoAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Ce, five Co, and seven Al atoms. There are two shorter (3.24 Å) and one longer (3.27 Å) Ce–Ce bond lengths. There are a spread of Ce–Co bond distances ranging from 2.81–3.24 Å. There are a spread of Ce–Al bond distances ranging from 3.11–3.23 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to four Ce, seven Co, and five Al atoms. The Ce–Ce bond length is 2.78 Å. There are a spread of Ce–Co bond distances ranging from 2.98–3.14 Å. There are a spread of Ce–Al bond distances ranging from 3.07–3.20 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Ce and six Al atoms to form CoCe6Al6 cuboctahedra that share corners with four equivalent AlCe6Al2Co4 cuboctahedra, corners with fourteen CoCe6Al6 cuboctahedra, edges with six CoCe6Al6 cuboctahedra, faces with four equivalent CoCe6Al2Co4 cuboctahedra, and faces with fourteen AlCe6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.65–2.71 Å. In the second Co site, Co is bonded to six Ce, four Co, and two equivalent Al atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with eight CoCe6Al6 cuboctahedra, corners with ten AlCe6Al2Co4 cuboctahedra, edges with two equivalent CoCe6Al2Co4 cuboctahedra, edges with four equivalent AlCe6Al4Co2 cuboctahedra, faces with eight AlCe6Al2Co4 cuboctahedra, and faces with ten CoCe6Al6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.68–2.72 Å. Both Co–Al bond lengths are 2.51 Å. In the third Co site, Co is bonded to six Ce, four equivalent Co, and two equivalent Al atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with six CoCe6Al6 cuboctahedra, corners with twelve AlCe6Al2Co4 cuboctahedra, edges with six CoCe6Al6 cuboctahedra, faces with eight equivalent CoCe6Al2Co4 cuboctahedra, and faces with ten AlCe6Al2Co4 cuboctahedra. Both Co–Al bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Ce, four Co, and two equivalent Al atoms to form distorted AlCe6Al2Co4 cuboctahedra that share corners with four equivalent AlCe6Al4Co2 cuboctahedra, corners with eight CoCe6Al6 cuboctahedra, edges with six equivalent AlCe6Al2Co4 cuboctahedra, faces with eight AlCe6Al2Co4 cuboctahedra, and faces with twelve CoCe6Al6 cuboctahedra. Both Al–Al bond lengths are 2.71 Å. In the second Al site, Al is bonded to six Ce, two equivalent Co, and four Al atoms to form distorted AlCe6Al4Co2 cuboctahedra that share corners with eight AlCe6Al2Co4 cuboctahedra, corners with ten CoCe6Al2Co4 cuboctahedra, edges with two equivalent AlCe6Al4Co2 cuboctahedra, edges with four equivalent CoCe6Al2Co4 cuboctahedra, faces with eight CoCe6Al6 cuboctahedra, and faces with ten AlCe6Al2Co4 cuboctahedra. There are one shorter (2.66 Å) and one longer (2.74 Å) Al–Al bond lengths.
DOI: 10.17188/1746037
title: Materials Data on K2AlOF5 by Materials Project

description: K2AlOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to two equivalent O and nine F atoms. There are one shorter (3.02 Å) and one longer (3.16 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.73–3.05 Å. Al is bonded to six F atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Al–F bond distances ranging from 1.81–1.89 Å. O is bonded in a rectangular see-saw-like geometry to four equivalent K atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to four equivalent K and one Al atom. In the second F site, F is bonded in a single-bond geometry to four equivalent K and one Al atom. In the third F site, F is bonded in a distorted linear geometry to two equivalent K and two equivalent Al atoms.
DOI: 10.17188/1746038
title: Materials Data on CsNi2F6 by Materials Project

description: CsNi2F6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six F1- atoms to form CsF6 octahedra that share corners with twelve NiF6 octahedra. The corner-sharing octahedra tilt angles range from 66–70°. There are a spread of Cs–F bond distances ranging from 3.05–3.20 Å. There are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent CsF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There is four shorter (1.87 Å) and two longer (2.01 Å) Ni–F bond length. In the second Ni+2.50+ site, Ni+2.50+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent CsF6 octahedra and corners with six NiF6 octahedra. The corner-sharing octahedra tilt angles range from 42–70°. There is two shorter (1.96 Å) and four longer (2.02 Å) Ni–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two Ni+2.50+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Ni+2.50+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Ni+2.50+ atoms.
DOI: 10.6084/m9.figshare.13345367
title: PS L (Chapter II, Evans Dissertation)

description: This is drone product set L from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Bellamy Reservoir in Dover, NH, USA. The imagery was collected on December 4, 2019 using a DJI Phantom 3 Professional drone. Note that the elevation values are only reliable for examining relative topography across the site. The built-in drone GPS was used for georeferencing during SfM processing, and the EXIF data provided inaccurate altitude measurements. The XY locations are more reliable based on checks against alignment with base maps in ArcGIS. The drone PS' relative accuracy was deemed acceptable for the purposes in Chapter II. Automated drone flight paths were used to collect nadir aerial images with sufficient image overlap for SfM processing in Agisoft PhotoScan Professional. The PhotoScan-generated report includes additional details on the SfM processing workflow and on the drone products.<br>Please see Alexandra's dissertation (University of New Hampshire) for more information on the drone products and project.<br>These materials were made using resources from an NSF EPSCoR funded project “RII Track-2 FEC: Strengthening the scientific basis for decision-making about dams: Multi-scale, coupled-systems research on ecological, social, and economic trade-offs” (a.k.a. "Future of Dams"). Support for this project is provided by the National Science Foundation’s Research Infrastructure Improvement NSF #IIA-1539071. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
DOI: 10.6084/m9.figshare.13345367.v1
title: PS L (Chapter II, Evans Dissertation)

description: This is drone product set L from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Bellamy Reservoir in Dover, NH, USA. The imagery was collected on December 4, 2019 using a DJI Phantom 3 Professional drone. Note that the elevation values are only reliable for examining relative topography across the site. The built-in drone GPS was used for georeferencing during SfM processing, and the EXIF data provided inaccurate altitude measurements. The XY locations are more reliable based on checks against alignment with base maps in ArcGIS. The drone PS' relative accuracy was deemed acceptable for the purposes in Chapter II. Automated drone flight paths were used to collect nadir aerial images with sufficient image overlap for SfM processing in Agisoft PhotoScan Professional. The PhotoScan-generated report includes additional details on the SfM processing workflow and on the drone products.<br>Please see Alexandra's dissertation (University of New Hampshire) for more information on the drone products and project.<br>These materials were made using resources from an NSF EPSCoR funded project “RII Track-2 FEC: Strengthening the scientific basis for decision-making about dams: Multi-scale, coupled-systems research on ecological, social, and economic trade-offs” (a.k.a. "Future of Dams"). Support for this project is provided by the National Science Foundation’s Research Infrastructure Improvement NSF #IIA-1539071. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
DOI: 10.17188/1746039
title: Materials Data on LiFePO4 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: 10.17188/1746040
title: Materials Data on Pr3Ag by Materials Project

description: Pr3Ag crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ag atoms. There are two shorter (3.35 Å) and two longer (3.63 Å) Pr–Ag bond lengths. Ag is bonded to twelve equivalent Pr atoms to form a mixture of corner and face-sharing AgPr12 cuboctahedra.
DOI: 10.17188/1746041
title: Materials Data on ErMg2Sc by Materials Project

description: Mg2ErSc 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 four equivalent Er and four equivalent Sc atoms. All Mg–Er bond lengths are 3.19 Å. All Mg–Sc bond lengths are 3.19 Å. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1746042
title: Materials Data on FeAs2Pb2O9 by Materials Project

description: FePb2As2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four AsO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.09 Å. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.95 Å. In the second Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.81 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of As–O bond distances ranging from 1.69–1.76 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Fe2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Fe2+ and one Pb3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+, two Pb3+, and one As5+ atom.
DOI: 10.17188/1746043
title: Materials Data on Ba2S2O3F2 by Materials Project

description: Ba2S2O3F2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are one shorter (2.82 Å) and two longer (2.84 Å) Ba–O bond lengths. There are a spread of Ba–F bond distances ranging from 2.64–2.78 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.98 Å. There are a spread of Ba–F bond distances ranging from 2.72–2.93 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) S–O bond length. In the second S2+ site, S2+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one S2+, and one F1- atom. The O–F bond length is 2.87 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one S2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four Ba2+ and one O2- atom. In the second F1- site, F1- is bonded to four Ba2+ atoms to form distorted corner-sharing FBa4 tetrahedra.
DOI: 10.17188/1746044
title: Materials Data on NpNi(OF2)3 by Materials Project

description: NpNi(OF2)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded in a 7-coordinate geometry to one O and six F atoms. The Np–O bond length is 1.81 Å. There are a spread of Np–F bond distances ranging from 2.06–2.18 Å. In the second Np site, Np is bonded in a 7-coordinate geometry to one O and six F atoms. The Np–O bond length is 1.81 Å. There are two shorter (2.06 Å) and four longer (2.18 Å) Np–F bond lengths. Ni is bonded in an octahedral geometry to two O and four F atoms. Both Ni–O bond lengths are 1.85 Å. There are a spread of Ni–F bond distances ranging from 2.09–2.11 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a single-bond geometry to one Np atom. In the fourth O site, O is bonded in a single-bond geometry to one Np atom. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Np atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Np and one Ni atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Np and one Ni atom. In the fourth F site, F is bonded in a single-bond geometry to one Np atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Np and one Ni atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to one Np and one Ni atom.
DOI: 10.17188/1746045
title: Materials Data on Cs2NaLaBr6 by Materials Project

description: Cs2NaLaBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent LaBr6 octahedra. All Cs–Br bond lengths are 4.15 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent LaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.94 Å. La3+ is bonded to six equivalent Br1- atoms to form LaBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–Br bond lengths are 2.93 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one La3+ atom.
DOI: 10.17188/1746046
title: Materials Data on Ba2ThCu2S5 by Materials Project

description: Ba2Cu2ThS5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.10–3.48 Å. Th4+ is bonded to six S2- atoms to form ThS6 octahedra that share edges with two equivalent ThS6 octahedra and edges with four equivalent CuS4 tetrahedra. There are two shorter (2.76 Å) and four longer (2.82 Å) Th–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent CuS4 tetrahedra and edges with two equivalent ThS6 octahedra. There are a spread of Cu–S bond distances ranging from 2.33–2.40 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, one Th4+, and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, two equivalent Th4+, and one Cu1+ atom. In the third S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Cu1+ atoms to form edge-sharing SBa4Cu2 octahedra.
DOI: 10.17188/1746047
title: Materials Data on Ba(TeMo)6 by Materials Project

description: BaMo6Te6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine Te atoms. There are six shorter (3.58 Å) and three longer (3.73 Å) Ba–Te bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–2.79 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. Both Mo–Mo bond lengths are 2.66 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.90 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 6-coordinate geometry to two equivalent Ba and four Mo atoms. In the second Te site, Te is bonded in a 5-coordinate geometry to one Ba and four Mo atoms.
DOI: 10.17188/1746049
title: Materials Data on Tm3Np by Materials Project

description: NpTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Tm atoms to form NpTm12 cuboctahedra that share corners with four equivalent NpTm12 cuboctahedra, corners with eight equivalent TmTm8Np4 cuboctahedra, edges with eight equivalent NpTm12 cuboctahedra, edges with sixteen equivalent TmTm8Np4 cuboctahedra, faces with four equivalent NpTm12 cuboctahedra, and faces with fourteen TmTm8Np4 cuboctahedra. There are four shorter (3.42 Å) and eight longer (3.47 Å) Np–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Np and eight Tm atoms to form TmTm8Np4 cuboctahedra that share corners with twelve equivalent TmTm8Np4 cuboctahedra, edges with eight equivalent NpTm12 cuboctahedra, edges with sixteen TmTm8Np4 cuboctahedra, faces with four equivalent NpTm12 cuboctahedra, and faces with fourteen TmTm8Np4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.47 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Np and eight equivalent Tm atoms to form TmTm8Np4 cuboctahedra that share corners with four equivalent TmTm8Np4 cuboctahedra, corners with eight equivalent NpTm12 cuboctahedra, edges with twenty-four TmTm8Np4 cuboctahedra, faces with six equivalent NpTm12 cuboctahedra, and faces with twelve TmTm8Np4 cuboctahedra.
DOI: 10.5519/qd.thnwfxy8
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (904 records)
DOI: 10.17188/1746050
title: Materials Data on P3H by Materials Project

description: (P)6H2 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two dihydrogen molecules and one P framework. In the P framework, there are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded to four equivalent P+0.33- atoms to form a mixture of edge and corner-sharing PP4 tetrahedra. All P–P bond lengths are 2.48 Å. In the second P+0.33- site, P+0.33- is bonded in a body-centered cubic geometry to eight equivalent P+0.33- atoms.
DOI: 10.17188/1746051
title: Materials Data on BaSrV4(CuO4)4 by Materials Project

description: BaSrV4(CuO4)4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent CuO6 octahedra, corners with four equivalent VO4 tetrahedra, edges with four equivalent VO4 tetrahedra, and faces with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Ba–O bond distances ranging from 2.79–3.12 Å. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.18 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CuO6 octahedra and edges with two equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 42–54°. There is two shorter (1.75 Å) and two longer (1.76 Å) V–O bond length. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent BaO12 cuboctahedra and corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There is two shorter (1.71 Å) and two longer (1.80 Å) V–O bond length. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share a cornercorner with one BaO12 cuboctahedra, corners with six VO4 tetrahedra, edges with two equivalent CuO6 octahedra, and a faceface with one BaO12 cuboctahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Sr2+, one V5+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sr2+, one V5+, and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one V5+, and two equivalent Cu2+ atoms.
DOI: 10.17188/1746052
title: Materials Data on NaHg3 by Materials Project

description: NaHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing NaHg12 cuboctahedra. All Na–Hg bond lengths are 3.36 Å. Hg is bonded in a square co-planar geometry to four equivalent Na atoms.