cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.13363508.v1
title: PS Y (Chapter II, Evans Dissertation)

description: This is drone product set Y from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Pawcatuck riparian area in Bradford, RI, USA. The imagery was collected on July 25, 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: 10.17188/1747652
title: Materials Data on CoCO3 by Materials Project

description: CoCO3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four carbon dioxide molecules and two CoO ribbons oriented in the (0, 0, 1) direction. In each CoO ribbon, Co2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.77 Å. O2- is bonded in a water-like geometry to two equivalent Co2+ atoms.
DOI: 10.17188/1747653
title: Materials Data on TeW2Se3 by Materials Project

description: WSe2WTeSe is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WSe2 sheet oriented in the (0, 0, 1) direction and one WTeSe sheet oriented in the (0, 0, 1) direction. In the WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTeSe sheet, W4+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form distorted edge-sharing WTe3Se3 pentagonal pyramids. All W–Te bond lengths are 2.72 Å. All W–Se bond lengths are 2.55 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms.
DOI: 10.17188/1747654
title: Materials Data on MnSb4 by Materials Project

description: MnSb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn2+ is bonded in a linear geometry to two equivalent Sb+0.50- atoms. Both Mn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb+0.50- sites. In the first Sb+0.50- site, Sb+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and one Sb+0.50- atom. The Sb–Sb bond length is 3.29 Å. In the second Sb+0.50- site, Sb+0.50- is bonded to six Sb+0.50- atoms to form a mixture of edge and corner-sharing SbSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (3.02 Å) and four longer (3.08 Å) Sb–Sb bond lengths.
DOI: 10.17188/1747655
title: Materials Data on Li4MnCo3O8 by Materials Project

description: Li4MnCo3O8 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent CoO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are four shorter (2.11 Å) and two longer (2.16 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Li–O bond lengths are 2.22 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mn–O bond lengths are 1.95 Å. Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are two shorter (2.02 Å) and four longer (2.07 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, one Mn2+, and two equivalent Co+3.33+ atoms to form a mixture of corner and edge-sharing OLi3MnCo2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Co+3.33+ atoms to form OLi3Co3 octahedra that share corners with six equivalent OLi3Co3 octahedra and edges with twelve equivalent OLi3MnCo2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1747656
title: Materials Data on Ti4GaS8 by Materials Project

description: Ti4GaS8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti+3.25+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with three equivalent GaS4 tetrahedra and edges with six equivalent TiS6 octahedra. There are three shorter (2.38 Å) and three longer (2.56 Å) Ti–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with twelve equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ga–S bond lengths are 2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ti+3.25+ atoms. In the second S2- site, S2- is bonded to three equivalent Ti+3.25+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing STi3Ga tetrahedra.
DOI: 10.17188/1747657
title: Materials Data on Cs3H(SeO4)2 by Materials Project

description: Cs3H(SeO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to two equivalent H1+ and ten O2- atoms. Both Cs–H bond lengths are 3.26 Å. There are a spread of Cs–O bond distances ranging from 3.08–3.50 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.44 Å. H1+ is bonded in a linear geometry to two equivalent Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to three Cs1+, one H1+, and one Se6+ atom.
DOI: 10.17188/1747658
title: Materials Data on Ho6Nb4Al43 by Materials Project

description: Ho6Nb4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to one Ho, one Nb, and fifteen Al atoms. The Ho–Ho bond length is 3.47 Å. The Ho–Nb bond length is 3.49 Å. There are a spread of Ho–Al bond distances ranging from 3.06–3.48 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to twelve Al atoms to form NbAl12 cuboctahedra that share corners with six equivalent NbHo2Al10 cuboctahedra and edges with six equivalent AlNb2Al10 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.91 Å) Nb–Al bond lengths. In the second Nb site, Nb is bonded to two equivalent Ho and ten Al atoms to form distorted NbHo2Al10 cuboctahedra that share corners with four NbAl12 cuboctahedra, an edgeedge with one AlNb2Al10 cuboctahedra, and faces with six AlNb2Al10 cuboctahedra. There are a spread of Nb–Al bond distances ranging from 2.64–2.75 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Ho, two Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–3.06 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.05 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–3.09 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.06 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and seven Al atoms. There are two shorter (2.83 Å) and one longer (2.88 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Nb and ten Al atoms to form distorted AlNb2Al10 cuboctahedra that share corners with four equivalent AlHo3Al9 cuboctahedra, edges with three NbAl12 cuboctahedra, faces with two equivalent NbHo2Al10 cuboctahedra, and faces with two equivalent AlNb2Al10 cuboctahedra. Both Al–Al bond lengths are 2.83 Å. In the seventh Al site, Al is bonded to three equivalent Ho and nine Al atoms to form AlHo3Al9 cuboctahedra that share corners with six AlNb2Al10 cuboctahedra, faces with two equivalent AlHo3Al9 cuboctahedra, and faces with three equivalent NbHo2Al10 cuboctahedra.
DOI: 10.17188/1747659
title: Materials Data on Mo21S8 by Materials Project

description: Mo21S8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Mo–S bond lengths. In the second Mo site, Mo is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.44 Å) and one longer (2.48 Å) Mo–S bond lengths. In the third Mo site, Mo is bonded in a 3-coordinate geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.38–2.83 Å. In the fourth Mo site, Mo is bonded in a 1-coordinate geometry to one S atom. The Mo–S bond length is 2.63 Å. In the fifth Mo site, Mo is bonded in a distorted L-shaped geometry to two equivalent S atoms. Both Mo–S bond lengths are 2.41 Å. In the sixth Mo site, Mo is bonded in a square co-planar geometry to four equivalent S atoms. All Mo–S bond lengths are 2.44 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 7-coordinate geometry to seven Mo atoms. In the second S site, S is bonded in a 8-coordinate geometry to eight Mo atoms.
DOI: 10.17188/1747660
title: Materials Data on CoMoO4 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: 10.17188/1747662
title: Materials Data on NaAs2 by Materials Project

description: NaAs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent As+0.50- atoms. All Na–As bond lengths are 3.38 Å. As+0.50- is bonded to six equivalent Na1+ and six equivalent As+0.50- atoms to form a mixture of edge, face, and corner-sharing AsNa6As6 cuboctahedra. All As–As bond lengths are 2.88 Å.
DOI: 10.17188/1747663
title: Materials Data on ErNiB4 by Materials Project

description: ErNiB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.56–2.71 Å. Ni3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ni–B bond distances ranging from 2.21–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.81 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Ni3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni3+, and three B+1.50- atoms.
DOI: 10.17188/1747665
title: Materials Data on Hf2InPd2 by Materials Project

description: Hf2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.74 Å) and four longer (2.83 Å) Hf–Pd bond lengths. All Hf–In bond lengths are 3.28 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Hf and two equivalent In atoms. Both Pd–In bond lengths are 2.95 Å. In is bonded in a 12-coordinate geometry to eight equivalent Hf and four equivalent Pd atoms.
DOI: 10.17188/1747666
title: Materials Data on MnV4O12 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: 10.17188/1747667
title: Materials Data on K4C2O9 by Materials Project

description: K4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.79–3.13 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.76–2.80 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.09 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are five inequivalent O sites. In the first O site, O is bonded to four K atoms to form a mixture of distorted edge and corner-sharing OK4 trigonal pyramids. In the second O site, O is bonded to four equivalent K atoms to form a mixture of distorted edge and corner-sharing OK4 trigonal pyramids. In the third O site, O is bonded in a distorted single-bond geometry to four K and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two K and one C atom.
DOI: 10.17188/1747668
title: Materials Data on MnP2(H4O5)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: 10.17188/1747669
title: Materials Data on LiVSiO4 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: 10.17188/1747670
title: Materials Data on S7N by Materials Project

description: NS2(S)5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twenty hydrogen sulfide molecules and four NS2 clusters. In each NS2 cluster, N2- is bonded in a bent 150 degrees geometry to two equivalent S+0.29+ atoms. Both N–S bond lengths are 1.61 Å. S+0.29+ is bonded in a single-bond geometry to one N2- atom.
DOI: 10.17188/1747671
title: Materials Data on Ho2Fe17 by Materials Project

description: Ho2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.97–3.28 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with fourteen FeHo2Fe10 cuboctahedra, edges with six equivalent FeHo3Fe9 cuboctahedra, and faces with ten FeHo2Fe10 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Ho and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å.
DOI: 10.17188/1747672
title: Materials Data on NdTlP2S7 by Materials Project

description: NdTlP2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.90–3.07 Å. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.27–3.56 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 2.03–2.15 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 2.01–2.15 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two equivalent Nd3+ and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Nd3+, one Tl1+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Nd3+, two equivalent Tl1+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Tl1+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to one Tl1+ and two P5+ atoms. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to one Nd3+, two equivalent Tl1+, and one P5+ atom.
DOI: 10.17188/1747673
title: Materials Data on Si by Materials Project

description: Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si is bonded to eight equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing SiSi8 hexagonal bipyramids. There are a spread of Si–Si bond distances ranging from 2.52–2.65 Å.
DOI: 10.17188/1747675
title: Materials Data on Sr2YCu3(PbO4)2 by Materials Project

description: Pb2Sr2YCu3O8 crystallizes in the triclinic P-1 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 2.64–2.85 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.40–2.44 Å. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.93–2.35 Å. In the second Cu+1.67+ site, Cu+1.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. Pb2+ is bonded to five O2- atoms to form distorted PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are a spread of Pb–O bond distances ranging from 2.20–3.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.67+, and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OSr4CuPb octahedra. The corner-sharing octahedral tilt angles are 20°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+1.67+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+1.67+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu+1.67+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1747676
title: Materials Data on La2ZnAs4 by Materials Project

description: La2ZnAs4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of La–As bond distances ranging from 3.07–3.23 Å. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As2- atoms. All As–As bond lengths are 2.85 Å.
DOI: 10.17188/1747677
title: Materials Data on Ca2CdGe by Materials Project

description: Ca2CdGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2CdGe ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Cd and one Ge atom. The Ca–Cd bond length is 3.36 Å. The Ca–Ge bond length is 2.80 Å. Cd is bonded in a linear geometry to two equivalent Ca atoms. Ge is bonded in a linear geometry to two equivalent Ca atoms.