cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1747090
title: Materials Data on SmGa3Ni by Materials Project

description: SmNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Sm–Ni bond lengths are 3.35 Å. There are eight shorter (3.15 Å) and four longer (3.35 Å) Sm–Ga bond lengths. Ni is bonded to four equivalent Sm and eight Ga atoms to form distorted NiSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ni4 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ni4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.90 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, two equivalent Ni, and three Ga atoms. All Ga–Ga bond lengths are 2.49 Å. In the second Ga site, Ga is bonded to four equivalent Sm, four equivalent Ni, and four equivalent Ga atoms to form GaSm4Ga4Ni4 cuboctahedra that share corners with four equivalent NiSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ni4 cuboctahedra, edges with two equivalent NiSm4Ga8 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ni4 cuboctahedra.
DOI: 10.17188/1747091
title: Materials Data on NaV4O10 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: 10.6084/m9.figshare.13360424.v1
title: PS U (Chapter II, Evans Dissertation)

description: This is drone product set U from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Bellamy downstream mill area in Dover, NH, USA. The imagery was collected on August 16, 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 and angled 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: 10.17188/1747093
title: Materials Data on HfAs2O9 by Materials Project

description: HfAs2O9 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two HfAs2O9 sheets oriented in the (0, 0, 1) direction. Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Hf–O bond distances ranging from 2.05–2.08 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 29–39°. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 24–40°. There is three shorter (1.71 Å) and one longer (1.74 Å) As–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 2.08 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the sixth O site, O is bonded in a single-bond geometry to one As and one O atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Hf and one As atom. In the ninth O site, O is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1747094
title: Materials Data on CdHg2SeO6 by Materials Project

description: Hg2CdSeO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.80 Å. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.87 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with three equivalent SeO4 tetrahedra and an edgeedge with one CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.33–2.46 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of Se–O bond distances ranging from 1.65–1.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Hg2+, one Cd2+, and one Se6+ atom. In the third O2- site, O2- is bonded to two Hg2+ and two equivalent Cd2+ atoms to form edge-sharing OCd2Hg2 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Hg2+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Cd2+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+, one Cd2+, and one Se6+ atom.
DOI: 10.17188/1747095
title: Materials Data on Ba7SiN6 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: 10.17188/1747096
title: Materials Data on AgO2 by Materials Project

description: AgO2 crystallizes in the tetragonal I4_1/a space group. The structure is two-dimensional and consists of four AgO2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a rectangular see-saw-like geometry to four equivalent O atoms. All Ag–O bond lengths are 2.24 Å. In the second Ag site, Ag is bonded in a rectangular see-saw-like geometry to four equivalent O atoms. All Ag–O bond lengths are 2.23 Å. O is bonded in a trigonal planar geometry to two Ag and one O atom. The O–O bond length is 1.39 Å.
DOI: 10.17188/1747097
title: Materials Data on Sc(P2Ru3)2 by Materials Project

description: Sc(Ru3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sc is bonded to six equivalent Ru and six equivalent P atoms to form face-sharing ScP6Ru6 cuboctahedra. All Sc–Ru bond lengths are 3.00 Å. All Sc–P bond lengths are 2.90 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Ru–P bond lengths. In the second Ru site, Ru is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.44 Å) and four longer (2.49 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ru atoms.
DOI: 10.17188/1747099
title: Materials Data on Li2Cr5(Si2O7)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: 10.17188/1747100
title: Materials Data on YMoO4F 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: 10.17188/1747101
title: Materials Data on BaLaAgSe3 by Materials Project

description: BaLaAgSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.27–3.81 Å. La3+ is bonded to six Se2- atoms to form LaSe6 octahedra that share corners with two equivalent LaSe6 octahedra, edges with two equivalent LaSe6 octahedra, and edges with four equivalent AgSe4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.04 Å) and four longer (3.06 Å) La–Se bond lengths. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra and edges with four equivalent LaSe6 octahedra. There are two shorter (2.66 Å) and two longer (2.72 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, two equivalent La3+, and one Ag1+ atom. In the second Se2- site, Se2- is bonded to two equivalent Ba2+, two equivalent La3+, and two equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SeBa2La2Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1747102
title: Materials Data on Li2Cr(PO4)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: 10.17188/1747104
title: Materials Data on Ba2AlV3O7 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: 10.17188/1747105
title: Materials Data on Mg7SiN6 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: 10.17188/1747106
title: Materials Data on Mg14CuSi by Materials Project

description: Mg14CuSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.26 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.26 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Cu, and two equivalent Si atoms to form distorted MgMg8Cu2Si2 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with ten MgMg8Cu2Si2 cuboctahedra, and faces with eight MgMg8Cu2Si2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.11 Å. There are one shorter (3.02 Å) and one longer (3.16 Å) Mg–Cu bond lengths. There are one shorter (2.99 Å) and one longer (3.19 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with ten MgMg8Cu2Si2 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.29 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, one Cu, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.04–3.15 Å. The Mg–Cu bond length is 2.94 Å. The Mg–Si bond length is 2.96 Å. In the sixth Mg site, Mg is bonded to eleven Mg and one Cu atom to form distorted MgMg11Cu cuboctahedra that share corners with ten MgMg11Cu cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Cu bond length is 3.06 Å. In the seventh Mg site, Mg is bonded to eleven Mg and one Si atom to form distorted MgMg11Si cuboctahedra that share corners with ten MgMg11Cu cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. The Mg–Si bond length is 3.06 Å. Cu is bonded in a 12-coordinate geometry to ten Mg atoms. Si is bonded in a 12-coordinate geometry to ten Mg atoms.
DOI: 10.17188/1747107
title: Materials Data on LiTa2Os by Materials Project

description: LiTa2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiTa2Os ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ta atoms. Both Li–Ta bond lengths are 2.98 Å. Ta is bonded in a linear geometry to one Li and one Os atom. The Ta–Os bond length is 2.22 Å. Os is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1747108
title: Materials Data on Ca(BH4)2 by Materials Project

description: Ca(BH4)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve H+0.50+ atoms. There are a spread of Ca–H bond distances ranging from 2.29–2.75 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is one shorter (1.22 Å) and three longer (1.23 Å) B–H bond length. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted water-like geometry to one Ca2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted water-like geometry to one Ca2+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Ca2+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to two equivalent Ca2+ and one B3- atom.
DOI: 10.17188/1747109
title: Materials Data on TbHoAl4 by Materials Project

description: HoTbAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Al atoms. All Ho–Tb bond lengths are 3.41 Å. All Ho–Al bond lengths are 3.26 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Al atoms. All Tb–Al bond lengths are 3.26 Å. Al is bonded to three equivalent Ho, three equivalent Tb, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlTb3Ho3Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.
DOI: 10.17188/1747110
title: Materials Data on HfCrAgS4 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: 10.17188/1747111
title: Materials Data on SrFeP2O7 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: 10.17188/1747113
title: Materials Data on K2LiEuCl6 by Materials Project

description: K2LiEuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent EuCl6 octahedra. All K–Cl bond lengths are 3.71 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent EuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.55 Å. Eu3+ is bonded to six equivalent Cl1- atoms to form EuCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Cl bond lengths are 2.70 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Eu3+ atom.
DOI: 10.17188/1747114
title: Materials Data on ZrTi by Materials Project

description: TiZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr is bonded to six equivalent Zr and six equivalent Ti atoms to form ZrZr6Ti6 cuboctahedra that share corners with eighteen equivalent ZrZr6Ti6 cuboctahedra, edges with six equivalent ZrZr6Ti6 cuboctahedra, edges with twelve equivalent TiZr6Ti6 cuboctahedra, faces with eight equivalent ZrZr6Ti6 cuboctahedra, and faces with twelve equivalent TiZr6Ti6 cuboctahedra. All Zr–Zr bond lengths are 3.11 Å. All Zr–Ti bond lengths are 3.05 Å. Ti is bonded to six equivalent Zr and six equivalent Ti atoms to form TiZr6Ti6 cuboctahedra that share corners with eighteen equivalent TiZr6Ti6 cuboctahedra, edges with six equivalent TiZr6Ti6 cuboctahedra, edges with twelve equivalent ZrZr6Ti6 cuboctahedra, faces with eight equivalent TiZr6Ti6 cuboctahedra, and faces with twelve equivalent ZrZr6Ti6 cuboctahedra. All Ti–Ti bond lengths are 3.11 Å.
DOI: 10.17188/1747115
title: Materials Data on MnNiGe by Materials Project

description: MnNiGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Ge atoms. All Mn–Ni bond lengths are 2.41 Å. All Mn–Ge bond lengths are 2.79 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.41 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Ni atoms.
DOI: 10.17188/1747116
title: Materials Data on BH6N by Materials Project

description: NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four NH3BH3 clusters. In two of the NH3BH3 clusters, B3- is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The B–N bond length is 1.61 Å. There is two shorter (1.22 Å) and one longer (1.23 Å) B–H bond length. N3- is bonded in a tetrahedral geometry to one B3- and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In two of the NH3BH3 clusters, B3- is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The B–N bond length is 1.62 Å. All B–H bond lengths are 1.22 Å. N3- is bonded in a tetrahedral geometry to one B3- and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom.
DOI: 10.17188/1747117
title: Materials Data on MnCoB by Materials Project

description: MnCoB is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Mn2+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. All Mn–B bond lengths are 2.18 Å. Co1+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.14 Å. B3- is bonded in a 10-coordinate geometry to four equivalent Mn2+, four equivalent Co1+, and two equivalent B3- atoms. Both B–B bond lengths are 2.09 Å.
DOI: 10.17188/1747118
title: Materials Data on Er3Ga2Ge3 by Materials Project

description: Er3Ga2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to four equivalent Ga and five Ge atoms. There are two shorter (2.82 Å) and two longer (3.10 Å) Er–Ga bond lengths. There are a spread of Er–Ge bond distances ranging from 2.87–3.30 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to four equivalent Ga and six Ge atoms. There are two shorter (3.06 Å) and two longer (3.14 Å) Er–Ga bond lengths. There are a spread of Er–Ge bond distances ranging from 2.96–3.19 Å. Ga is bonded in a 10-coordinate geometry to six Er, one Ga, and three Ge atoms. The Ga–Ga bond length is 2.81 Å. There are two shorter (2.68 Å) and one longer (2.81 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Ga, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er, two equivalent Ga, and two equivalent Ge atoms.