cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1203179
title: Materials Data on Al2Fe3Si4 by Materials Project

description: Al2Fe3Si4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Fe, two equivalent Al, and seven Si atoms. The Fe–Fe bond length is 2.52 Å. There are one shorter (2.53 Å) and one longer (2.62 Å) Fe–Al bond lengths. There are a spread of Fe–Si bond distances ranging from 2.33–2.56 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to four equivalent Al and five Si atoms. All Fe–Al bond lengths are 2.56 Å. There are a spread of Fe–Si bond distances ranging from 2.28–2.42 Å. Al is bonded in a 11-coordinate geometry to four Fe, two equivalent Al, and five Si atoms. There are one shorter (2.61 Å) and one longer (2.84 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.55–2.85 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Fe, two equivalent Al, and three Si atoms. There are two shorter (2.51 Å) and one longer (2.75 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted q6 geometry to five Fe, four equivalent Al, and one Si atom. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Fe, two equivalent Al, and three Si atoms.
DOI: 10.17188/1203254
title: Materials Data on Ce3(Al2Si3)2 by Materials Project

description: Ce3Al4Si6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.05–3.11 Å. In the second Ce4+ site, Ce4+ is bonded to six equivalent Si4- atoms to form CeSi6 octahedra that share corners with twelve AlSi4 tetrahedra, edges with six equivalent CeSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ce–Si bond lengths are 3.01 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Si4- atoms to form AlSi4 tetrahedra that share corners with three equivalent CeSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are three shorter (2.50 Å) and one longer (2.57 Å) Al–Si bond lengths. In the second Al3+ site, Al3+ is bonded to four Si4- atoms to form AlSi4 tetrahedra that share corners with three equivalent CeSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent CeSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. There are three shorter (2.50 Å) and one longer (2.57 Å) Al–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.40 Å. In the second Si4- site, Si4- is bonded to three equivalent Ce4+ and four Al3+ atoms to form distorted edge-sharing SiCe3Al4 pentagonal bipyramids. In the third Si4- site, Si4- is bonded to three equivalent Ce4+ and four Al3+ atoms to form a mixture of distorted edge and corner-sharing SiCe3Al4 pentagonal bipyramids.
DOI: 10.17188/1203256
title: Materials Data on Ta3SeI7 by Materials Project

description: Ta3SeI7 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Ta3SeI7 sheets oriented in the (0, 0, 1) direction. Ta3+ is bonded to one Se2- and five I1- atoms to form distorted edge-sharing TaSeI5 octahedra. The Ta–Se bond length is 2.55 Å. There are a spread of Ta–I bond distances ranging from 2.75–3.05 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta3+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Ta3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ta3+ atoms.
DOI: 10.17188/1203257
title: Materials Data on Ta3TeI7 by Materials Project

description: Ta3TeI7 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Ta3TeI7 sheets oriented in the (0, 0, 1) direction. Ta3+ is bonded to one Te2- and five I1- atoms to form distorted edge-sharing TaTeI5 octahedra. The Ta–Te bond length is 2.74 Å. There are a spread of Ta–I bond distances ranging from 2.76–3.06 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Ta3+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Ta3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ta3+ atoms.
DOI: 10.17188/1203258
title: Materials Data on Ho3Ge3Ir2 by Materials Project

description: Ho3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Ho–Ir bond distances ranging from 2.98–3.28 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.24 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Ho–Ir bond lengths are 3.07 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.11 Å. Ir is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.
DOI: 10.17188/1203259
title: Materials Data on Ho5(Ge5Ir2)2 by Materials Project

description: Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and four Ge atoms. Both Ho–Ir bond lengths are 3.16 Å. There are two shorter (2.78 Å) and two longer (2.82 Å) Ho–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to four Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four Ho and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four Ho and two equivalent Ir atoms.
DOI: 10.17188/1203260
title: Materials Data on Se2Br3N by Materials Project

description: NSe2Br3 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight NSe2Br3 clusters. N1+ is bonded in a bent 120 degrees geometry to two Se2- atoms. Both N–Se bond lengths are 1.77 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to one N1+ and two Br1+ atoms. There are one shorter (2.47 Å) and one longer (2.71 Å) Se–Br bond lengths. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to one N1+ and two Br1+ atoms. There are one shorter (2.40 Å) and one longer (2.79 Å) Se–Br bond lengths. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one Se2- atom. In the second Br1+ site, Br1+ is bonded in a 2-coordinate geometry to two Se2- atoms. In the third Br1+ site, Br1+ is bonded in a single-bond geometry to one Se2- atom.
DOI: 10.17188/1203261
title: Materials Data on Se2NCl5 by Materials Project

description: N2(Se2Cl5)2 is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules and eight Se2Cl5 clusters. In four of the Se2Cl5 clusters, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.22–2.77 Å. In the second Se1+ site, Se1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.24–2.70 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the fifth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In four of the Se2Cl5 clusters, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.22–2.72 Å. In the second Se1+ site, Se1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.22–2.71 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom.
DOI: 10.17188/1203262
title: Materials Data on Bi(TeBr2)2 by Materials Project

description: BiTeBr4Te crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two tellurium molecules and one BiTeBr4 sheet oriented in the (0, 0, 1) direction. In the BiTeBr4 sheet, Bi2+ is bonded to six Br1- atoms to form edge-sharing BiBr6 octahedra. There are a spread of Bi–Br bond distances ranging from 2.71–3.14 Å. Te1+ is bonded in a distorted bent 120 degrees geometry to two Br1- atoms. There are one shorter (3.23 Å) and one longer (3.42 Å) Te–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Bi2+ and one Te1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Bi2+ atom. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Bi2+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Bi2+ and one Te1+ atom.
DOI: 10.17188/1203263
title: Materials Data on K2Te4O9 by Materials Project

description: K2Te4O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.03 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.35 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.42 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.37 Å. In the third Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.40 Å. In the fourth Te4+ site, Te4+ is bonded to five O2- atoms to form distorted edge-sharing TeO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.88–2.49 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and two equivalent Te4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two Te4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Te4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and two Te4+ atoms.
DOI: 10.17188/1203264
title: Materials Data on K2Te2O5 by Materials Project

description: K2Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.23 Å. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Te–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four K1+ and two equivalent Te4+ atoms.
DOI: 10.17188/1203265
title: Materials Data on VSe by Materials Project

description: VSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V2+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing VSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All V–Se bond lengths are 2.61 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent V2+ atoms.
DOI: 10.17188/1203266
title: Materials Data on RuCl2O by Materials Project

description: RuOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two RuOCl2 sheets oriented in the (0, 0, 1) direction. Ru4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing RuCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ru–O bond lengths are 1.85 Å. All Ru–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent Ru4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Ru4+ atoms.
DOI: 10.17188/1203267
title: Materials Data on OsCl2O by Materials Project

description: OsOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two OsOCl2 sheets oriented in the (0, 0, 1) direction. Os4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing OsCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Os–O bond lengths are 1.86 Å. All Os–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent Os4+ atoms. Cl1- is bonded in a water-like geometry to two equivalent Os4+ atoms.
DOI: 10.17188/1203268
title: Materials Data on Zr6CoAs2 by Materials Project

description: Zr6CoAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent As atoms. Both Zr–Co bond lengths are 2.58 Å. Both Zr–As bond lengths are 2.89 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Co and four equivalent As atoms. The Zr–Co bond length is 3.12 Å. All Zr–As bond lengths are 2.89 Å. Co is bonded in a 6-coordinate geometry to nine Zr atoms. As is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1203269
title: Materials Data on Sr6Cu3N5 by Materials Project

description: Sr6Cu3N5 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four equivalent N3- atoms to form distorted SrN4 tetrahedra that share corners with four equivalent SrN5 trigonal bipyramids and edges with two equivalent SrN4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.71 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.51–2.93 Å. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.94 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.85 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.87 Å) and one longer (1.90 Å) Cu–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to five Sr2+ and two equivalent Cu1+ atoms. In the second N3- site, N3- is bonded to five Sr2+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing NSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 54–67°. In the third N3- site, N3- is bonded to five Sr2+ and one Cu1+ atom to form a mixture of edge and corner-sharing NSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 5–62°.
DOI: 10.17188/1203270
title: Materials Data on KAuSe2 by Materials Project

description: KAuSe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.55 Å. Au3+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Au–Se bond lengths are 2.52 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Au3+ atoms.
DOI: 10.17188/1203271
title: Materials Data on NaAuSe2 by Materials Project

description: NaAuSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 16–29°. There are a spread of Na–Se bond distances ranging from 2.98–3.19 Å. Au3+ is bonded in a distorted rectangular see-saw-like geometry to five Se2- atoms. There are a spread of Au–Se bond distances ranging from 2.50–3.38 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and three equivalent Au3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Au3+ atoms.
DOI: 10.17188/1203272
title: Materials Data on LaSi3Ir by Materials Project

description: LaIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. All La–Ir bond lengths are 3.41 Å. There are a spread of La–Si bond distances ranging from 3.15–3.39 Å. Ir is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. All Ir–Si bond lengths are 2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Ir, and two equivalent Si atoms. Both Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted single-bond geometry to four equivalent La, one Ir, and four equivalent Si atoms.
DOI: 10.17188/1203273
title: Materials Data on Re3Ge7 by Materials Project

description: Re3Ge7 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.57–2.90 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.54–2.68 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Re and four equivalent Ge atoms. All Ge–Ge bond lengths are 3.05 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five equivalent Re atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to three Re and three equivalent Ge atoms. There are one shorter (2.49 Å) and two longer (2.76 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to three Re and five Ge atoms.