cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1688354
title: Materials Data on LaTi2O6 by Materials Project

description: LaTi2O6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.63 Å) and four longer (2.72 Å) La–O bond lengths. Ti is bonded to six O atoms to form distorted TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–23°. There are a spread of Ti–O bond distances ranging from 1.83–2.20 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent La and two equivalent Ti atoms. In the second O site, O is bonded to four equivalent La and two equivalent Ti atoms to form a mixture of edge and corner-sharing OLa4Ti2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site, O is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1688356
title: Materials Data on Yb2Al3Cu by Materials Project

description: Yb2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to three equivalent Cu and nine equivalent Al atoms. All Yb–Cu bond lengths are 3.25 Å. There are three shorter (3.24 Å) and six longer (3.25 Å) Yb–Al bond lengths. Cu is bonded to six equivalent Yb and six equivalent Al atoms to form CuYb6Al6 cuboctahedra that share corners with six equivalent CuYb6Al6 cuboctahedra, corners with twelve equivalent AlYb6Al4Cu2 cuboctahedra, edges with six equivalent CuYb6Al6 cuboctahedra, and faces with eighteen equivalent AlYb6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.77 Å. Al is bonded to six equivalent Yb, two equivalent Cu, and four equivalent Al atoms to form AlYb6Al4Cu2 cuboctahedra that share corners with four equivalent CuYb6Al6 cuboctahedra, corners with fourteen equivalent AlYb6Al4Cu2 cuboctahedra, edges with six equivalent AlYb6Al4Cu2 cuboctahedra, faces with six equivalent CuYb6Al6 cuboctahedra, and faces with twelve equivalent AlYb6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.77 Å.
DOI: 10.17188/1688357
title: Materials Data on Hf2NiMo by Materials Project

description: Hf2MoNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MoNi ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mo and one Ni atom. The Hf–Mo bond length is 2.40 Å. The Hf–Ni bond length is 2.39 Å. Mo is bonded in a linear geometry to two equivalent Hf atoms. Ni is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1688358
title: Materials Data on BeH12C4(SBr)2 by Materials Project

description: BeC4H12(SBr)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four BeC4H12(SBr)2 clusters. Be2+ is bonded in a tetrahedral geometry to two equivalent S2- and two equivalent Br1- atoms. Both Be–S bond lengths are 2.17 Å. Both Be–Br bond lengths are 2.13 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–S bond length is 1.80 Å. In the second C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. S2- is bonded in a trigonal non-coplanar geometry to one Be2+ and two C2- atoms. Br1- is bonded in a single-bond geometry to one Be2+ atom.
DOI: 10.17188/1688360
title: Materials Data on NaAlSi3O8 by Materials Project

description: NaAlSi3O8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two NaAlSi3O8 ribbons oriented in the (1, 0, 0) direction. Na1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (1.92 Å) and one longer (2.97 Å) Na–O bond lengths. Al3+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.22–2.24 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (0.90 Å) and one longer (1.55 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.67 Å) and one longer (1.99 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.18–2.40 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to one Si4+ and one O2- atom. The O–O bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one O2- atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1688361
title: Materials Data on Cu4Br6N4O by Materials Project

description: Cu4N4O(Br)6 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of twelve hydrobromic acid molecules and two Cu4N4O clusters. In each Cu4N4O cluster, Cu2+ is bonded in a linear geometry to one N3- and one O2- atom. The Cu–N bond length is 1.77 Å. The Cu–O bond length is 1.93 Å. N3- is bonded in a single-bond geometry to one Cu2+ atom. O2- is bonded in a tetrahedral geometry to four equivalent Cu2+ atoms.
DOI: 10.17188/1688362
title: Materials Data on Na2FeO3 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: 10.17188/1688363
title: Materials Data on LiV3(P3O10)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: 10.17188/1688364
title: Materials Data on HgF3 by Materials Project

description: (HgF2)2F2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one HgF2 framework. In the HgF2 framework, Hg is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hg–F bond lengths are 2.48 Å. F is bonded to four equivalent Hg atoms to form a mixture of edge and corner-sharing FHg4 tetrahedra.
DOI: 10.17188/1688365
title: Materials Data on Mn5(Bi2Pd)2 by Materials Project

description: Mn5Pd2Bi4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Mn, two equivalent Pd, and six Bi atoms. Both Mn–Mn bond lengths are 2.92 Å. Both Mn–Pd bond lengths are 2.74 Å. There are a spread of Mn–Bi bond distances ranging from 3.09–3.13 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to three equivalent Mn, three equivalent Pd, and four Bi atoms. All Mn–Pd bond lengths are 2.69 Å. There are three shorter (2.93 Å) and one longer (3.26 Å) Mn–Bi bond lengths. Pd is bonded in a 10-coordinate geometry to six Mn and four Bi atoms. There are one shorter (2.83 Å) and three longer (2.97 Å) Pd–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six Mn and two equivalent Pd atoms. In the second Bi site, Bi is bonded in a 10-coordinate geometry to ten Mn atoms. In the third Bi site, Bi is bonded in a distorted q6 geometry to six equivalent Mn and four equivalent Pd atoms.
DOI: 10.17188/1688366
title: Materials Data on CaSiBHO5 by Materials Project

description: CaBSiO4(OH) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.21–2.66 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.44 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.59–1.69 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Si4+, and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+, one B3+, and one Si4+ atom.
DOI: 10.17188/1688367
title: Materials Data on YbNiAs by Materials Project

description: YbNiAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing YbAs6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Yb–As bond lengths are 3.07 Å. In the second Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing YbAs6 octahedra. All Yb–As bond lengths are 3.08 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Ni–As bond lengths are 2.31 Å. As3- is bonded in a 3-coordinate geometry to six Yb2+ and three equivalent Ni1+ atoms.
DOI: 10.17188/1688368
title: Materials Data on Er2Mn17C3 by Materials Project

description: Er2Mn17C3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (2.99 Å) and six longer (3.21 Å) Er–Mn bond lengths. All Er–C bond lengths are 2.49 Å. In the second Er site, Er is bonded in a trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (2.99 Å) and six longer (3.21 Å) Er–Mn bond lengths. All Er–C bond lengths are 2.49 Å. In the third Er site, Er is bonded in a trigonal planar geometry to three equivalent C atoms. All Er–C bond lengths are 2.43 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two Er and ten Mn atoms to form MnEr2Mn10 cuboctahedra that share corners with four equivalent MnEr2Mn10 cuboctahedra, corners with two equivalent CEr2Mn4 octahedra, faces with six equivalent MnEr2Mn10 cuboctahedra, and faces with four equivalent CEr2Mn4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight shorter (2.44 Å) and two longer (2.63 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a single-bond geometry to four Mn and one C atom. Both Mn–Mn bond lengths are 2.63 Å. The Mn–C bond length is 1.89 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to one Er and thirteen Mn atoms. There are one shorter (2.30 Å) and three longer (2.64 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded in a single-bond geometry to three Mn and one C atom. The Mn–C bond length is 1.88 Å. C is bonded to two Er and four Mn atoms to form CEr2Mn4 octahedra that share corners with two equivalent MnEr2Mn10 cuboctahedra, corners with four equivalent CEr2Mn4 octahedra, and faces with four equivalent MnEr2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1688369
title: Materials Data on MoH8S2(NO)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: 10.17188/1688370
title: Materials Data on Ba2CePuO6 by Materials Project

description: Ba2PuCeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent PuO6 octahedra, and faces with four equivalent CeO6 octahedra. All Ba–O bond lengths are 3.14 Å. Pu5+ is bonded to six equivalent O2- atoms to form PuO6 octahedra that share corners with six equivalent CeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–O bond lengths are 2.19 Å. Ce3+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent PuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.25 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Pu5+, and one Ce3+ atom.
DOI: 10.17188/1688371
title: Materials Data on MnFe2(PO8)2 by Materials Project

description: MnFe2(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two oxygen molecules and one MnFe2(PO7)2 framework. In the MnFe2(PO7)2 framework, Mn is bonded to four O atoms to form distorted MnO4 tetrahedra that share corners with two PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.60–1.84 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to five O atoms to form distorted FeO5 trigonal bipyramids that share corners with three PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.89–2.17 Å. In the second Fe site, Fe is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Fe–O bond distances ranging from 1.89–2.48 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MnO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MnO4 tetrahedra and a cornercorner with one FeO5 trigonal bipyramid. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a 2-coordinate geometry to one Fe and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the sixth O site, O is bonded in a linear geometry to one Fe and one P atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Mn and one P atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the twelfth O site, O is bonded in a 3-coordinate geometry to two Fe and one O atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to two Fe and one O atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Mn atom.
DOI: 10.17188/1688372
title: Materials Data on Tl3Cu by Materials Project

description: CuTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu is bonded to twelve equivalent Tl atoms to form CuTl12 cuboctahedra that share corners with twelve equivalent CuTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Cu4 cuboctahedra, faces with six equivalent CuTl12 cuboctahedra, and faces with twelve equivalent TlTl8Cu4 cuboctahedra. All Cu–Tl bond lengths are 3.34 Å. Tl is bonded to four equivalent Cu and eight equivalent Tl atoms to form TlTl8Cu4 cuboctahedra that share corners with twelve equivalent TlTl8Cu4 cuboctahedra, edges with eight equivalent CuTl12 cuboctahedra, edges with sixteen equivalent TlTl8Cu4 cuboctahedra, faces with four equivalent CuTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Cu4 cuboctahedra. All Tl–Tl bond lengths are 3.34 Å.
DOI: 10.17188/1688373
title: Materials Data on Lu(GaFe)6 by Materials Project

description: Lu(FeGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded to twelve Fe and eight Ga atoms to form distorted LuGa8Fe12 hexagonal bipyramids that share corners with eight equivalent LuGa8Fe12 hexagonal bipyramids, faces with twenty-four FeLu2Ga6Fe4 cuboctahedra, and faces with two equivalent LuGa8Fe12 hexagonal bipyramids. There are four shorter (3.26 Å) and eight longer (3.28 Å) Lu–Fe bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.83–2.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Lu, four equivalent Fe, and six Ga atoms to form distorted FeLu2Ga6Fe4 cuboctahedra that share corners with fourteen FeLu2Ga6Fe4 cuboctahedra, edges with seven FeLu2Ga6Fe4 cuboctahedra, faces with nine FeLu2Ga6Fe4 cuboctahedra, and faces with four equivalent LuGa8Fe12 hexagonal bipyramids. All Fe–Fe bond lengths are 2.50 Å. There are a spread of Fe–Ga bond distances ranging from 2.57–2.63 Å. In the second Fe site, Fe is bonded to two equivalent Lu, four Fe, and six Ga atoms to form distorted FeLu2Ga6Fe4 cuboctahedra that share corners with fourteen FeLu2Ga6Fe4 cuboctahedra, edges with six FeLu2Ga6Fe4 cuboctahedra, faces with ten FeLu2Ga6Fe4 cuboctahedra, and faces with four equivalent LuGa8Fe12 hexagonal bipyramids. Both Fe–Fe bond lengths are 2.52 Å. There are two shorter (2.55 Å) and four longer (2.60 Å) Fe–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to one Lu, six Fe, and one Ga atom. The Ga–Lu bond length is 2.83 Å. There are four shorter (2.60 Å) and two longer (2.63 Å) Ga–Fe bond lengths. The Ga–Ga bond length is 2.84 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Lu, six Fe, and one Ga atom. The Ga–Lu bond length is 2.83 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Lu, six Fe, and three Ga atoms. There are one shorter (2.73 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Lu, six Fe, and two equivalent Ga atoms. In the fifth Ga site, Ga is bonded in a 8-coordinate geometry to one Lu, six Fe, and one Ga atom. Both Ga–Fe bond lengths are 2.63 Å. The Ga–Ga bond length is 2.84 Å.
DOI: 10.17188/1688374
title: Materials Data on BaBr2O7 by Materials Project

description: BaO7Br2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.07 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Br atom. The O–Br bond length is 1.69 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one Br atom. The O–Br bond length is 1.68 Å. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Ba and one Br atom. The O–Br bond length is 1.69 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ba atom. Br is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1688376
title: Materials Data on SiAg3 by Materials Project

description: Ag3Si is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded to eight Ag+1.33+ and four equivalent Si4- atoms to form AgSi4Ag8 cuboctahedra that share corners with four equivalent SiAg12 cuboctahedra, corners with fourteen AgSi4Ag8 cuboctahedra, edges with six equivalent SiAg12 cuboctahedra, edges with twelve AgSi4Ag8 cuboctahedra, faces with four equivalent SiAg12 cuboctahedra, and faces with sixteen AgSi4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–3.03 Å. There are a spread of Ag–Si bond distances ranging from 2.83–2.97 Å. In the second Ag+1.33+ site, Ag+1.33+ is bonded to eight equivalent Ag+1.33+ and four equivalent Si4- atoms to form AgSi4Ag8 cuboctahedra that share corners with four equivalent SiAg12 cuboctahedra, corners with fourteen AgSi4Ag8 cuboctahedra, edges with six equivalent SiAg12 cuboctahedra, edges with twelve equivalent AgSi4Ag8 cuboctahedra, faces with four equivalent SiAg12 cuboctahedra, and faces with sixteen AgSi4Ag8 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.97 Å) Ag–Si bond lengths. Si4- is bonded to twelve Ag+1.33+ atoms to form SiAg12 cuboctahedra that share corners with six equivalent SiAg12 cuboctahedra, corners with twelve AgSi4Ag8 cuboctahedra, edges with eighteen AgSi4Ag8 cuboctahedra, faces with eight equivalent SiAg12 cuboctahedra, and faces with twelve AgSi4Ag8 cuboctahedra.