cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188138
title: Materials Data on Sm2(Zn2Ge)3 by Materials Project

description: Sm2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.24 Å) and six longer (3.42 Å) Sm–Zn bond lengths. All Sm–Ge bond lengths are 3.13 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Sm and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a distorted water-like geometry to two equivalent Sm and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm and five Zn atoms.
DOI: 10.17188/1188139
title: Materials Data on CF4 by Materials Project

description: CF4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four carbon tetrafluoride molecules. C4+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All C–F bond lengths are 1.34 Å. F1- is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1188140
title: Materials Data on BaYSi4N7 by Materials Project

description: BaYSi4N7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ba2+ is bonded to twelve N3- atoms to form BaN12 cuboctahedra that share corners with twelve equivalent BaN12 cuboctahedra, edges with twelve SiN4 tetrahedra, and faces with four equivalent YN6 octahedra. There are a spread of Ba–N bond distances ranging from 3.01–3.09 Å. Y3+ is bonded to six N3- atoms to form YN6 octahedra that share corners with twelve SiN4 tetrahedra and faces with four equivalent BaN12 cuboctahedra. There are three shorter (2.34 Å) and three longer (2.35 Å) Y–N bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with three equivalent YN6 octahedra, corners with six SiN4 tetrahedra, and edges with three equivalent BaN12 cuboctahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Si–N bond distances ranging from 1.73–2.00 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with three equivalent YN6 octahedra, corners with six equivalent SiN4 tetrahedra, and edges with three equivalent BaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. There is three shorter (1.72 Å) and one longer (1.90 Å) Si–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a tetrahedral geometry to four Si4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+, one Y3+, and two Si4+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Y3+, and two equivalent Si4+ atoms.
DOI: 10.17188/1188141
title: Materials Data on Sc2(SeO4)3 by Materials Project

description: Sc2(SeO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.08–2.16 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.07–2.14 Å. There are three inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four ScO6 octahedra. The corner-sharing octahedra tilt angles range from 26–44°. There is three shorter (1.66 Å) and one longer (1.67 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four ScO6 octahedra. The corner-sharing octahedra tilt angles range from 30–43°. There is two shorter (1.66 Å) and two longer (1.67 Å) Se–O bond length. In the third Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four ScO6 octahedra. The corner-sharing octahedra tilt angles range from 17–41°. There is two shorter (1.66 Å) and two longer (1.67 Å) Se–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Sc3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se6+ atom.
DOI: 10.17188/1188142
title: Materials Data on Al2Se3 by Materials Project

description: Al2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form corner-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.33–2.47 Å. In the second Al3+ site, Al3+ is bonded to four Se2- atoms to form corner-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.34–2.48 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two Al3+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms.
DOI: 10.17188/1188143
title: Materials Data on NbTe2 by Materials Project

description: NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.
DOI: 10.17188/1188144
title: Materials Data on Sr3(SiAs2)2 by Materials Project

description: Sr3(SiAs2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six As+1.50- atoms to form SrAs6 octahedra that share corners with four SrAs6 octahedra, corners with four equivalent SiSiAs3 tetrahedra, edges with nine SrAs6 octahedra, and edges with two equivalent SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are two shorter (3.16 Å) and four longer (3.20 Å) Sr–As bond lengths. In the second Sr2+ site, Sr2+ is bonded to six As+1.50- atoms to form SrAs6 octahedra that share corners with four SrAs6 octahedra, corners with eight equivalent SiSiAs3 tetrahedra, and edges with nine SrAs6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Sr–As bond distances ranging from 3.17–3.35 Å. In the third Sr2+ site, Sr2+ is bonded to six As+1.50- atoms to form SrAs6 octahedra that share corners with four SrAs6 octahedra, corners with six equivalent SiSiAs3 tetrahedra, edges with eight SrAs6 octahedra, and edges with two equivalent SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Sr–As bond distances ranging from 3.13–3.36 Å. Si is bonded to one Si and three As+1.50- atoms to form SiSiAs3 tetrahedra that share corners with three AsSr4Si2 octahedra, corners with nine SrAs6 octahedra, edges with two SrAs6 octahedra, and an edgeedge with one SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 19–82°. The Si–Si bond length is 2.37 Å. There are one shorter (2.36 Å) and two longer (2.43 Å) Si–As bond lengths. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to four Sr2+ and two equivalent Si atoms to form distorted AsSr4Si2 octahedra that share corners with eight AsSr4Si2 octahedra, corners with two equivalent SiSiAs3 tetrahedra, and edges with eight AsSr4Si2 octahedra. The corner-sharing octahedra tilt angles range from 4–94°. In the second As+1.50- site, As+1.50- is bonded to five Sr2+ and one Si atom to form AsSr5Si octahedra that share corners with seven AsSr4Si2 octahedra, a cornercorner with one SiSiAs3 tetrahedra, and edges with ten AsSr4Si2 octahedra. The corner-sharing octahedra tilt angles range from 1–90°.
DOI: 10.17188/1188145
title: Materials Data on HfTe5 by Materials Project

description: HfTe5 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four HfTe5 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. There are a spread of Hf–Te bond distances ranging from 2.96–3.00 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Hf4+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a distorted single-bond geometry to one Hf4+ atom. In the third Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Hf4+ atoms.
DOI: 10.17188/1188146
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.
DOI: 10.17188/1188280
title: Materials Data on VTe2 by Materials Project

description: VTe2 is Molybdenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one VTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six Te2- atoms to form edge-sharing VTe6 octahedra. There are four shorter (2.73 Å) and two longer (2.77 Å) V–Te bond lengths. In the second V4+ site, V4+ is bonded to six Te2- atoms to form distorted edge-sharing VTe6 octahedra. There are a spread of V–Te bond distances ranging from 2.56–2.80 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three V4+ atoms.
DOI: 10.17188/1188281
title: Materials Data on ScCu by Materials Project

description: ScCu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Sc–Cu bond lengths are 2.82 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1188282
title: Materials Data on Tc2P3 by Materials Project

description: Tc2P3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tc+0.50+ sites. In the first Tc+0.50+ site, Tc+0.50+ is bonded to six P+0.33- atoms to form a mixture of distorted face, edge, and corner-sharing TcP6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Tc–P bond distances ranging from 2.30–2.75 Å. In the second Tc+0.50+ site, Tc+0.50+ is bonded to six P+0.33- atoms to form a mixture of face, edge, and corner-sharing TcP6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Tc–P bond distances ranging from 2.40–2.43 Å. There are three inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one P+0.33- atom. The P–P bond length is 2.24 Å. In the second P+0.33- site, P+0.33- is bonded in a 4-coordinate geometry to four Tc+0.50+ atoms. In the third P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one P+0.33- atom. The P–P bond length is 2.41 Å.
DOI: 10.17188/1188283
title: Materials Data on Nd2HgO4 by Materials Project

description: Nd2HgO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted edge-sharing NdO7 pentagonal bipyramids. There are a spread of Nd–O bond distances ranging from 2.34–2.58 Å. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.59 Å. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.96 Å) Hg–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Nd3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing ONd3Hg tetrahedra. In the second O2- site, O2- is bonded to three Nd3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing ONd3Hg tetrahedra. In the third O2- site, O2- is bonded to four Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Nd3+ and two equivalent Hg2+ atoms.
DOI: 10.25375/uct.13490901
title: M.tb-specific T cells in recent and remote infection

description: This dataset (Mycobacterium tuberculosis-specific T cells in recent and remote infection) contains M.tb-specific CD4 T cell function (IFN-, TNF, IL-2, CD107, CD154), memory (CD45RA CCR7, CD27, KLRG-1) and activation (HLA-DR) profiles detected by flow cytometry after CFP-10/ESAT-6 or M.tb lysate stimulation of PBMC from recent and persistent QFT+ individuals included in the manuscript "<i>Immune profilining of Mycobacterium tuberculosis-specific T cells in recent and remote infection</i>". See paper for more details. Data sets included for each figure are indicated in the sheet name; Column names indicate: SubjectID, Group, Stimulation (stim) and the respective variable measured.
DOI: 10.17188/1188284
title: Materials Data on Ba3(SiAs2)2 by Materials Project

description: Ba3(SiAs2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six As+1.50- atoms to form BaAs6 octahedra that share corners with four BaAs6 octahedra, corners with four equivalent SiSiAs3 tetrahedra, edges with nine BaAs6 octahedra, and edges with two equivalent SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 8–16°. There are a spread of Ba–As bond distances ranging from 3.31–3.44 Å. In the second Ba2+ site, Ba2+ is bonded to six As+1.50- atoms to form BaAs6 octahedra that share corners with four BaAs6 octahedra, corners with eight equivalent SiSiAs3 tetrahedra, and edges with nine BaAs6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Ba–As bond distances ranging from 3.33–3.56 Å. In the third Ba2+ site, Ba2+ is bonded to six As+1.50- atoms to form BaAs6 octahedra that share corners with four BaAs6 octahedra, corners with six equivalent SiSiAs3 tetrahedra, edges with eight BaAs6 octahedra, and edges with two equivalent SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 8–16°. There are a spread of Ba–As bond distances ranging from 3.28–3.61 Å. Si is bonded to one Si and three As+1.50- atoms to form SiSiAs3 tetrahedra that share corners with three AsBa4Si2 octahedra, corners with nine BaAs6 octahedra, edges with two BaAs6 octahedra, and an edgeedge with one SiSiAs3 tetrahedra. The corner-sharing octahedra tilt angles range from 16–81°. The Si–Si bond length is 2.41 Å. There are one shorter (2.38 Å) and two longer (2.44 Å) Si–As bond lengths. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to four Ba2+ and two equivalent Si atoms to form distorted AsBa4Si2 octahedra that share corners with eight AsBa4Si2 octahedra, corners with two equivalent SiSiAs3 tetrahedra, and edges with eight AsBa4Si2 octahedra. The corner-sharing octahedra tilt angles range from 5–97°. In the second As+1.50- site, As+1.50- is bonded to five Ba2+ and one Si atom to form AsBa5Si octahedra that share corners with seven AsBa4Si2 octahedra, a cornercorner with one SiSiAs3 tetrahedra, and edges with ten AsBa4Si2 octahedra. The corner-sharing octahedra tilt angles range from 5–94°.
DOI: 10.6084/m9.figshare.13656404
title: JPhysiol.FigShareData.zip

description: Figure Source Data for manuscript entitled "Loss of Peripheral Vestibular Input Alters the Statistics of Head Movement Experienced during Natural Self-Motion"<br><br>
DOI: 10.17188/1188285
title: Materials Data on TePt by Materials Project

description: PtTe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six PtTe sheets oriented in the (0, 0, 1) direction. Pt2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. All Pt–Te bond lengths are 2.63 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Pt2+ atoms.
DOI: 10.17188/1188286
title: Materials Data on Cs2Pd3Se4 by Materials Project

description: Cs2Pd3Se4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.04 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pd–Se bond lengths are 2.50 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pd–Se bond lengths are 2.49 Å. Se2- is bonded in a 7-coordinate geometry to four equivalent Cs1+ and three Pd2+ atoms.
DOI: 10.6084/m9.figshare.13655930.v2
title: JPhysiol.FigShareData.zip

description: Figure Source Data for manuscript entitled "Loss of Peripheral Vestibular Input Alters the Statistics of Head Movement Experienced during Natural Self-Motion"<br>
DOI: 10.6084/m9.figshare.13655930.v1
title: JPhysiol.FigShareData.zip

description: Figure Source Data for manuscript entitled "Loss of Peripheral Vestibular Input Alters the Statistics of Head Movement Experienced during Natural Self-Motion"<br>
DOI: 10.17188/1188287
title: Materials Data on Rb2Pd3S4 by Materials Project

description: Rb2Pd3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.54–3.72 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.38 Å. In the third Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.38 Å. S2- is bonded in a 7-coordinate geometry to four equivalent Rb1+ and three Pd2+ atoms.
DOI: 10.17188/1188288
title: Materials Data on As3W2 by Materials Project

description: W2As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded to six As3- atoms to form a mixture of distorted face, edge, and corner-sharing WAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of W–As bond distances ranging from 2.55–2.63 Å. In the second W+4.50+ site, W+4.50+ is bonded to six As3- atoms to form a mixture of face, edge, and corner-sharing WAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of W–As bond distances ranging from 2.55–2.60 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to four W+4.50+ and one As3- atom. The As–As bond length is 2.52 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four W+4.50+ atoms. In the third As3- site, As3- is bonded in a 5-coordinate geometry to four W+4.50+ and one As3- atom. The As–As bond length is 2.95 Å.
DOI: 10.17188/1188289
title: Materials Data on TaSb2 by Materials Project

description: TaSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are a spread of Ta–Sb bond distances ranging from 2.87–3.01 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and three equivalent Sb+2.50- atoms. There are one shorter (2.82 Å) and two longer (3.07 Å) Sb–Sb bond lengths. In the second Sb+2.50- site, Sb+2.50- is bonded in a 5-coordinate geometry to five equivalent Ta5+ atoms.
DOI: 10.17188/1188290
title: Materials Data on Tb by Materials Project

description: Tb is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Tb atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.58 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to twelve Tb atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. There are three shorter (3.55 Å) and six longer (3.58 Å) Tb–Tb bond lengths.