cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312827
title: Materials Data on Ca10V6O25 by Materials Project

description: Ca10V6O25 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are six inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with three VO4 tetrahedra, and an edgeedge with one VO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.20–2.63 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.93 Å. In the third Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.39 Å) and three longer (2.53 Å) Ca–O bond lengths. In the fourth Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.46–2.88 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.35 Å) and three longer (2.44 Å) Ca–O bond lengths. In the sixth Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.44 Å) and three longer (2.46 Å) Ca–O bond lengths. 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 two equivalent CaO6 pentagonal pyramids. There are a spread of V–O bond distances ranging from 1.73–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one CaO6 pentagonal pyramid and an edgeedge with one CaO6 pentagonal pyramid. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ca2+ and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one V5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ca2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ca2+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one V5+ atom. In the seventh O2- site, O2- is bonded to three Ca2+ and one V5+ atom to form distorted edge-sharing OCa3V tetrahedra. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Ca2+ and one V5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Ca2+ and one V5+ atom.
DOI: 10.17188/1312828
title: Materials Data on ScPt by Materials Project

description: PtSc is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Sc–Pt bond lengths are 2.87 Å. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Sc2+ atoms.
DOI: 10.17188/1312829
title: Materials Data on Cd4P6SN12 by Materials Project

description: Cd4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent N3- and one S2- atom to form distorted CdSN3 tetrahedra that share corners with three equivalent CdSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Cd–N bond lengths are 2.26 Å. The Cd–S bond length is 2.49 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent CdSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Cd2+ atoms.
DOI: 10.17188/1312830
title: Materials Data on Cd(SbO3)2 by Materials Project

description: CdSb2O6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent O2- atoms to form CdO6 octahedra that share corners with twelve equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–O bond lengths are 2.38 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1312831
title: Materials Data on Sr2LiFe2N3 by Materials Project

description: LiSr2Fe2N3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 2.03 Å. Sr2+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.59–2.78 Å. Fe2+ is bonded in a 3-coordinate geometry to three N3- atoms. There is one shorter (1.84 Å) and two longer (1.85 Å) Fe–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Sr2+ and two equivalent Fe2+ atoms to form distorted NSr4Fe2 octahedra that share corners with eight equivalent NSr3LiFe2 octahedra and edges with six NSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 30–70°. In the second N3- site, N3- is bonded to one Li1+, three equivalent Sr2+, and two equivalent Fe2+ atoms to form a mixture of distorted corner and edge-sharing NSr3LiFe2 octahedra. The corner-sharing octahedra tilt angles range from 30–70°.
DOI: 10.17188/1312832
title: Materials Data on Ba2LiFe2N3 by Materials Project

description: LiBa2Fe2N3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 2.03 Å. Ba2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. There are a spread of Ba–N bond distances ranging from 2.79–2.93 Å. Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Fe–N bond distances ranging from 1.83–1.87 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Ba2+ and two equivalent Fe2+ atoms to form distorted NBa4Fe2 octahedra that share corners with eight equivalent NBa3LiFe2 octahedra and edges with six NBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 31–72°. In the second N3- site, N3- is bonded to one Li1+, three equivalent Ba2+, and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing NBa3LiFe2 octahedra. The corner-sharing octahedra tilt angles range from 31–72°.
DOI: 10.17188/1312833
title: Materials Data on TlAg3Te2 by Materials Project

description: Ag3TlTe2 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to six equivalent Te2- atoms. There are four shorter (3.05 Å) and two longer (3.52 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to four equivalent Tl1+ and four equivalent Te2- atoms. All Ag–Tl bond lengths are 3.00 Å. All Ag–Te bond lengths are 3.25 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent Ag1+ and four equivalent Te2- atoms. All Tl–Te bond lengths are 3.33 Å. Te2- is bonded in a 10-coordinate geometry to eight Ag1+ and two equivalent Tl1+ atoms.
DOI: 10.17188/1312834
title: Materials Data on TaCuN2 by Materials Project

description: CuTaN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form edge-sharing TaN6 octahedra. All Ta–N bond lengths are 2.11 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to three equivalent Ta5+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing NTa3Cu tetrahedra.
DOI: 10.17188/1312835
title: Materials Data on ZrSi by Materials Project

description: ZrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Zr–Si bond distances ranging from 2.75–2.94 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Zr4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.48 Å.
DOI: 10.17188/1312836
title: Materials Data on K2GeAs2 by Materials Project

description: K2GeAs2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.44–3.62 Å. Ge4+ is bonded to four equivalent As3- atoms to form distorted edge-sharing GeAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1312837
title: Materials Data on Rb2SnAs2 by Materials Project

description: Rb2SnAs2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of Rb–As bond distances ranging from 3.59–4.00 Å. Sn4+ is bonded to four equivalent As3- atoms to form edge-sharing SnAs4 tetrahedra. All Sn–As bond lengths are 2.68 Å. As3- is bonded in a 8-coordinate geometry to six equivalent Rb1+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1312838
title: Materials Data on Cs2SiP2 by Materials Project

description: (Cs)2SiP2 crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of eight cesium molecules and two SiP2 ribbons oriented in the (1, 0, 0) direction. In each SiP2 ribbon, Si4- is bonded in a 4-coordinate geometry to four equivalent P1+ atoms. All Si–P bond lengths are 2.30 Å. P1+ is bonded in an L-shaped geometry to two equivalent Si4- atoms.
DOI: 10.17188/1312839
title: Materials Data on Cs2SnAs2 by Materials Project

description: Cs2SnAs2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of Cs–As bond distances ranging from 3.82–4.08 Å. Sn4+ is bonded to four equivalent As3- atoms to form edge-sharing SnAs4 tetrahedra. All Sn–As bond lengths are 2.68 Å. As3- is bonded in a 8-coordinate geometry to six equivalent Cs1+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1312840
title: Materials Data on SnSe by Materials Project

description: SnSe crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SnSe sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded to five equivalent Se2- atoms to form a mixture of edge and corner-sharing SnSe5 square pyramids. There are one shorter (2.72 Å) and four longer (3.06 Å) Sn–Se bond lengths. Se2- is bonded in a single-bond geometry to five equivalent Sn2+ atoms.
DOI: 10.17188/1312847
title: Materials Data on CrSi2 by Materials Project

description: CrSi2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cr is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are eight shorter (2.50 Å) and two longer (2.54 Å) Cr–Si bond lengths. Si is bonded in a 10-coordinate geometry to five equivalent Cr and five equivalent Si atoms. There are one shorter (2.46 Å) and four longer (2.54 Å) Si–Si bond lengths.
DOI: 10.17188/1312848
title: Materials Data on Si2Mo by Materials Project

description: MoSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Mo is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of Mo–Si bond distances ranging from 2.58–2.69 Å. Si is bonded in a 10-coordinate geometry to five equivalent Mo and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.69 Å.
DOI: 10.17188/1312849
title: Materials Data on Si2W by Materials Project

description: WSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. W is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of W–Si bond distances ranging from 2.59–2.69 Å. Si is bonded in a 10-coordinate geometry to five equivalent W and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.69 Å.
DOI: 10.17188/1312850
title: Materials Data on ZnPt by Materials Project

description: PtZn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt2- is bonded in a distorted body-centered cubic geometry to eight equivalent Zn2+ atoms. All Pt–Zn bond lengths are 2.70 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1312851
title: Materials Data on PtF4 by Materials Project

description: PtF4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Pt4+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Pt–F bond distances ranging from 1.90–2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pt4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Pt4+ atoms.
DOI: 10.17188/1312852
title: Materials Data on YSnF7 by Materials Project

description: YSnF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.18–2.44 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Y3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Sn4+ atom.
DOI: 10.17188/1312853
title: Materials Data on TlBS2 by Materials Project

description: TlBS2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.06–3.84 Å. B3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.91–1.99 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Tl1+ and two equivalent B3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to five equivalent Tl1+ and two equivalent B3+ atoms.
DOI: 10.17188/1312854
title: Materials Data on Sr(BS2)2 by Materials Project

description: Sr(BS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 2.99–3.56 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.89–1.97 Å. In the second B3+ site, B3+ is bonded to four S2- atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.92–1.95 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and two equivalent B3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent B3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two B3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two B3+ atoms.
DOI: 10.17188/1312855
title: Materials Data on CeAsPd by Materials Project

description: CePdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing CeAs6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.19 Å. All Ce–As bond lengths are 3.19 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent As atoms. All Pd–As bond lengths are 2.52 Å. As is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.
DOI: 10.17188/1312856
title: Materials Data on NdAsPd by Materials Project

description: NdPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing NdAs6Pd6 cuboctahedra. All Nd–Pd bond lengths are 3.20 Å. All Nd–As bond lengths are 3.20 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent As atoms. All Pd–As bond lengths are 2.53 Å. As is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pd atoms.
DOI: 10.17188/1312857
title: Materials Data on NdAsPd by Materials Project

description: NdPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing NdAs6Pd6 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.27 Å) Nd–Pd bond lengths. There are three shorter (3.14 Å) and three longer (3.27 Å) Nd–As bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pd atoms.
DOI: 10.17188/1312858
title: Materials Data on SmAsPd by Materials Project

description: SmPdAs crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of distorted edge and face-sharing SmAs6Pd6 cuboctahedra. There are three shorter (3.08 Å) and three longer (3.26 Å) Sm–Pd bond lengths. There are three shorter (3.08 Å) and three longer (3.26 Å) Sm–As bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.
DOI: 10.17188/1312859
title: Materials Data on HoAsPd by Materials Project

description: HoPdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent As atoms. There are a spread of Ho–Pd bond distances ranging from 3.06–3.40 Å. There are a spread of Ho–As bond distances ranging from 2.91–2.99 Å. Pd is bonded to six equivalent Ho, two equivalent Pd, and four equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing PdHo6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.05 Å. There are a spread of Pd–As bond distances ranging from 2.63–2.82 Å. As is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Pd atoms.
DOI: 10.17188/1312860
title: Materials Data on TaSe2 by Materials Project

description: TaSe2 is Molybdenite-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.62 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
DOI: 10.17188/1312861
title: Materials Data on Ho2S3 by Materials Project

description: Ho2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.80–3.33 Å. In the second Ho3+ site, Ho3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing HoS7 pentagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.73–2.80 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Ho3+ atoms. In the second S2- site, S2- is bonded to five Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo5 square pyramids. In the third S2- site, S2- is bonded to five Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo5 trigonal bipyramids.