cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1274071
title: Materials Data on YbGa2Ge3 by Materials Project

description: YbGa2Ge3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to six Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.09–3.55 Å. There are a spread of Yb–Ge bond distances ranging from 3.11–3.23 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six Ga and nine Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.16–3.58 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.68 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two Yb and four Ge atoms. There are three shorter (2.50 Å) and one longer (2.53 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Yb and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.50–2.61 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to three Yb and four Ge atoms. There are three shorter (2.55 Å) and one longer (2.60 Å) Ga–Ge bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Yb and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.50–2.57 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two Ga, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, one Ga, and three Ge atoms. The Ge–Ge bond length is 2.59 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, three Ga, and one Ge atom. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb and four Ga atoms. In the sixth Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Yb, three Ga, and one Ge atom.
DOI: 10.17188/1274072
title: Materials Data on TiTe by Materials Project

description: TiTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ti–Te bond lengths are 2.80 Å. Te2- is bonded to six equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing TeTi6 pentagonal pyramids.
DOI: 10.17188/1274073
title: Materials Data on EuSn by Materials Project

description: EuSn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 5-coordinate geometry to seven equivalent Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.37–3.57 Å. Sn is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.97 Å.
DOI: 10.17188/1274074
title: Materials Data on K2NaBP2 by Materials Project

description: K2NaBP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted L-shaped geometry to two equivalent P3- atoms. Both K–P bond lengths are 3.38 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.34–3.46 Å. Na1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NaP4 tetrahedra. There are three shorter (2.91 Å) and one longer (2.97 Å) Na–P bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two equivalent P3- atoms. Both B–P bond lengths are 1.78 Å. In the second B3+ site, B3+ is bonded in a linear geometry to two equivalent P3- atoms. Both B–P bond lengths are 1.78 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to one K1+, three equivalent Na1+, and one B3+ atom. In the second P3- site, P3- is bonded in a 2-coordinate geometry to five K1+, one Na1+, and one B3+ atom.
DOI: 10.17188/1274075
title: Materials Data on Tm(CuGe)2 by Materials Project

description: TmCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Tm–Cu bond lengths are 3.14 Å. All Tm–Ge bond lengths are 3.26 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Tm, one Cu, and four equivalent Ge atoms. The Cu–Cu bond length is 2.33 Å. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Cu atoms.
DOI: 10.17188/1274076
title: Materials Data on Be3P2 by Materials Project

description: Be3P2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing BeP4 tetrahedra. There are a spread of Be–P bond distances ranging from 2.18–2.23 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Be2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Be2+ atoms.
DOI: 10.17188/1274077
title: Materials Data on Gd2Fe2I by Materials Project

description: Gd2IFe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent I atoms. There are three shorter (2.88 Å) and three longer (3.00 Å) Gd–Fe bond lengths. All Gd–I bond lengths are 3.40 Å. Fe is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Fe atoms. All Fe–Fe bond lengths are 2.30 Å. I is bonded in a 6-coordinate geometry to six equivalent Gd atoms.
DOI: 10.17188/1274078
title: Materials Data on Ta3P by Materials Project

description: Ta3P crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. Both Ta–P bond lengths are 2.58 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent P atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ta–P bond lengths. In the third Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. Both Ta–P bond lengths are 2.59 Å. P is bonded in a 8-coordinate geometry to eight Ta atoms.
DOI: 10.17188/1274079
title: Materials Data on Er2Al3Co by Materials Project

description: Er2CoAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Co, and nine equivalent Al atoms. All Er–Er bond lengths are 3.31 Å. All Er–Co bond lengths are 3.21 Å. There are three shorter (3.08 Å) and six longer (3.21 Å) Er–Al bond lengths. Co is bonded to six equivalent Er and six equivalent Al atoms to form CoEr6Al6 cuboctahedra that share corners with twelve equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent CoEr6Al6 cuboctahedra, faces with two equivalent CoEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.63 Å. Al is bonded to six equivalent Er, two equivalent Co, and four equivalent Al atoms to form distorted AlEr6Al4Co2 cuboctahedra that share corners with four equivalent CoEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent AlEr6Al4Co2 cuboctahedra, faces with six equivalent CoEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Co2 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.83 Å) Al–Al bond lengths.
DOI: 10.17188/1274080
title: Materials Data on SmCo9Si4 by Materials Project

description: SmCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.23 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.31 Å. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. Si4- is bonded in a 12-coordinate geometry to two equivalent Sm3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.
DOI: 10.17188/1274081
title: Materials Data on RbGeI3 by Materials Project

description: RbGeI3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.79–4.27 Å. Ge2+ is bonded to six I1- atoms to form edge-sharing GeI6 octahedra. There are a spread of Ge–I bond distances ranging from 2.86–3.31 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ge2+ atom.
DOI: 10.17188/1274082
title: Materials Data on MnAsRh by Materials Project

description: MnRhAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Rh and five As atoms. There are two shorter (2.82 Å) and four longer (2.95 Å) Mn–Rh bond lengths. There are one shorter (2.63 Å) and four longer (2.69 Å) Mn–As bond lengths. Rh is bonded in a 10-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.42 Å) and two longer (2.50 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Rh atoms.
DOI: 10.17188/1274083
title: Materials Data on Cd8Ag5 by Materials Project

description: Ag5Cd8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 4-coordinate geometry to three Ag and ten Cd atoms. There are one shorter (2.90 Å) and two longer (3.11 Å) Ag–Ag bond lengths. There are a spread of Ag–Cd bond distances ranging from 2.91–3.25 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ag and nine Cd atoms. There are a spread of Ag–Cd bond distances ranging from 2.93–3.01 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to six Ag and five Cd atoms. There are one shorter (3.02 Å) and four longer (3.03 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a 12-coordinate geometry to six Ag and six Cd atoms. All Cd–Cd bond lengths are 3.13 Å.
DOI: 10.17188/1274085
title: Materials Data on Sm(FeSi)2 by Materials Project

description: SmFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.13 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.65 Å.
DOI: 10.17188/1274086
title: Materials Data on KNiAu3(CN)6 by Materials Project

description: KNiAu3(CN)6 crystallizes in the trigonal P312 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All K–N bond lengths are 3.01 Å. Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 2.06 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a 2-coordinate geometry to one K1+, one Ni2+, and one C+2.67+ atom.
DOI: 10.17188/1274087
title: Materials Data on Y3Ni13B2 by Materials Project

description: Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.85–3.25 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Y–Ni bond lengths are 2.86 Å. All Y–B bond lengths are 2.85 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to four Y, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.46 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and six Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the third Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiY4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ni atoms.
DOI: 10.17188/1274088
title: Materials Data on TlBi(PSe3)2 by Materials Project

description: TlBi(PSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.34–3.89 Å. Bi1+ is bonded to six Se2- atoms to form distorted corner-sharing BiSe6 pentagonal pyramids. There are a spread of Bi–Se bond distances ranging from 2.88–3.19 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.19–2.24 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.25 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Tl1+, one Bi1+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one P5+ atom. In the fourth Se2- site, Se2- is bonded in a distorted L-shaped geometry to one Bi1+ and one P5+ atom. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Tl1+, one Bi1+, and one P5+ atom. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to one Tl1+, one Bi1+, and one P5+ atom.
DOI: 10.17188/1274089
title: Materials Data on Nb5Si3 by Materials Project

description: Nb5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb+2.40+ sites. In the first Nb+2.40+ site, Nb+2.40+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent NbSi6 octahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent NbSi5 trigonal bipyramids, and faces with four equivalent NbSi6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Nb–Si bond distances ranging from 2.61–2.86 Å. In the second Nb+2.40+ site, Nb+2.40+ is bonded to six equivalent Si4- atoms to form distorted NbSi6 octahedra that share corners with six equivalent NbSi6 octahedra, corners with twelve equivalent NbSi5 trigonal bipyramids, edges with three equivalent NbSi6 octahedra, faces with two equivalent NbSi6 octahedra, and faces with six equivalent NbSi5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. All Nb–Si bond lengths are 2.69 Å. Si4- is bonded in a 9-coordinate geometry to nine Nb+2.40+ atoms.
DOI: 10.17188/1274090
title: Materials Data on Ba2Bi by Materials Project

description: Ba2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All Ba–Bi bond lengths are 3.74 Å. In the second Ba site, Ba is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.60 Å) and four longer (3.91 Å) Ba–Bi bond lengths. Bi is bonded in a 9-coordinate geometry to nine Ba atoms.
DOI: 10.17188/1274091
title: Materials Data on RbSmGeSe4 by Materials Project

description: RbSmGeSe4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–4.01 Å. Sm3+ is bonded to seven Se2- atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent SmSe7 pentagonal bipyramids, a cornercorner with one GeSe4 tetrahedra, edges with two equivalent SmSe7 pentagonal bipyramids, and edges with three equivalent GeSe4 tetrahedra. There are a spread of Sm–Se bond distances ranging from 2.99–3.12 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share a cornercorner with one SmSe7 pentagonal bipyramid and edges with three equivalent SmSe7 pentagonal bipyramids. There are a spread of Ge–Se bond distances ranging from 2.36–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded to three equivalent Rb1+, one Sm3+, and one Ge4+ atom to form distorted corner-sharing SeRb3SmGe trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom.
DOI: 10.17188/1274092
title: Materials Data on Pr(AlBr4)3 by Materials Project

description: Pr(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Pr(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pr–Br bond distances ranging from 3.00–3.17 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.27–2.41 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Al–Br bond lengths. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to one Pr3+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Pr3+ and one Al3+ atom.
DOI: 10.17188/1274093
title: Materials Data on AlTlBr4 by Materials Project

description: TlAlBr4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted hexagonal planar geometry to six Br1- atoms. There are two shorter (3.40 Å) and four longer (3.54 Å) Tl–Br bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.50–3.75 Å. Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.32–2.34 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Tl1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Al3+ atom.
DOI: 10.17188/1274094
title: Materials Data on Ti4CoBi2 by Materials Project

description: Ti4CoBi2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Co and four equivalent Bi atoms. Both Ti–Co bond lengths are 2.53 Å. There are a spread of Ti–Bi bond distances ranging from 2.93–3.08 Å. Co is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Co atoms. Both Co–Co bond lengths are 2.43 Å. Bi is bonded in a 8-coordinate geometry to eight equivalent Ti atoms.
DOI: 10.17188/1274108
title: Materials Data on C3N4 by Materials Project

description: C3N4 crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two C3N4 sheets oriented in the (0, 0, 1) direction. C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.33 Å) and one longer (1.46 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms.
DOI: 10.17188/1274109
title: Materials Data on TiGe2 by Materials Project

description: TiGe2 is Titanium Disilicide structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to ten equivalent Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.65–2.93 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ti and five equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.66–2.92 Å.
DOI: 10.17188/1274111
title: Materials Data on NdAg2 by Materials Project

description: Ag2Nd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ag atoms to form a mixture of face and edge-sharing NdAg12 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.32 Å) Nd–Ag bond lengths. Ag is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ag atoms. All Ag–Ag bond lengths are 2.79 Å.