cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1278184
title: Materials Data on Ba2ErSbO6 by Materials Project

description: Ba2ErSbO6 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 ErO6 octahedra, and faces with four equivalent SbO6 octahedra. All Ba–O bond lengths are 3.00 Å. Er3+ is bonded to six equivalent O2- atoms to form ErO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–O bond lengths are 2.22 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent ErO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Er3+, and one Sb5+ atom.
DOI: 10.17188/1278195
title: Materials Data on Eu4Ir by Materials Project

description: Eu4Ir crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a distorted water-like geometry to two equivalent Ir atoms. There are one shorter (2.86 Å) and one longer (3.24 Å) Eu–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight equivalent Eu atoms.
DOI: 10.17188/1278196
title: Materials Data on ZrInCu2 by Materials Project

description: ZrCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Zr–Cu bond lengths are 2.78 Å. All Zr–In bond lengths are 3.21 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent In atoms. All Cu–In bond lengths are 2.78 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Zr and eight equivalent Cu atoms.
DOI: 10.17188/1278197
title: Materials Data on Bi3(TeCl5)2 by Materials Project

description: Bi3(TeCl5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Bi3(TeCl5)2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Bi+2.67+ sites. In the first Bi+2.67+ site, Bi+2.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.53–3.27 Å. In the second Bi+2.67+ site, Bi+2.67+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.03 Å. In the third Bi+2.67+ site, Bi+2.67+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.51–3.05 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.08 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Bi+2.67+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Bi+2.67+ and one Te1+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+2.67+ atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.67+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi+2.67+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Bi+2.67+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two Bi+2.67+ atoms. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.67+ atom. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+2.67+ atoms. In the tenth Cl1- site, Cl1- is bonded in a water-like geometry to one Bi+2.67+ and one Te1+ atom.
DOI: 10.17188/1278198
title: Materials Data on Cs2Ce10Os2I17 by Materials Project

description: Cs2Ce10Os2I17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded to twelve I atoms to form CsI12 cuboctahedra that share corners with fourteen CeOs2I4 octahedra, edges with two equivalent CsI12 cuboctahedra, a faceface with one CsI12 cuboctahedra, and faces with six CeOsI5 octahedra. The corner-sharing octahedra tilt angles range from 35–48°. There are a spread of Cs–I bond distances ranging from 4.15–4.48 Å. There are four inequivalent Ce sites. In the first Ce site, Ce is bonded to one Os and five I atoms to form distorted CeOsI5 octahedra that share corners with two equivalent CsI12 cuboctahedra, corners with five CeOs2I4 octahedra, edges with five CeOs2I4 octahedra, and faces with two equivalent CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–10°. The Ce–Os bond length is 2.78 Å. There are a spread of Ce–I bond distances ranging from 3.22–3.41 Å. In the second Ce site, Ce is bonded to one Os and five I atoms to form distorted CeOsI5 octahedra that share corners with two equivalent CsI12 cuboctahedra, corners with four CeOs2I4 octahedra, edges with five CeOs2I4 octahedra, and faces with two equivalent CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Ce–Os bond length is 2.72 Å. There are a spread of Ce–I bond distances ranging from 3.20–3.40 Å. In the third Ce site, Ce is bonded to one Os and five I atoms to form distorted CeOsI5 octahedra that share corners with three equivalent CsI12 cuboctahedra, corners with two CeOsI5 octahedra, edges with six CeOs2I4 octahedra, and a faceface with one CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–9°. The Ce–Os bond length is 2.79 Å. There are a spread of Ce–I bond distances ranging from 3.18–3.42 Å. In the fourth Ce site, Ce is bonded to two equivalent Os and four I atoms to form CeOs2I4 octahedra that share corners with four equivalent CsI12 cuboctahedra, corners with three CeOs2I4 octahedra, and edges with eight CeOs2I4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are one shorter (2.81 Å) and one longer (2.90 Å) Ce–Os bond lengths. There are a spread of Ce–I bond distances ranging from 3.29–3.46 Å. Os is bonded to six Ce atoms to form edge-sharing OsCe6 octahedra. There are six inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to two equivalent Cs and three Ce atoms. In the second I site, I is bonded in a 5-coordinate geometry to two equivalent Cs and three Ce atoms. In the third I site, I is bonded in a distorted square co-planar geometry to four Ce atoms. In the fourth I site, I is bonded in a distorted rectangular see-saw-like geometry to one Cs and three Ce atoms. In the fifth I site, I is bonded in a 4-coordinate geometry to two equivalent Cs and two Ce atoms. In the sixth I site, I is bonded in a 4-coordinate geometry to one Cs and three Ce atoms.
DOI: 10.17188/1278199
title: Materials Data on PrGaCo by Materials Project

description: PrCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to four equivalent Co and six equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.70–3.11 Å. There are a spread of Pr–Ga bond distances ranging from 3.14–3.36 Å. Co is bonded in a 9-coordinate geometry to four equivalent Pr, two equivalent Co, and three equivalent Ga atoms. Both Co–Co bond lengths are 2.52 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. Ga is bonded in a 6-coordinate geometry to six equivalent Pr and three equivalent Co atoms.
DOI: 10.17188/1278200
title: Materials Data on SmGaCo by Materials Project

description: SmCoGa crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 1-coordinate geometry to four Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.66–3.06 Å. There are a spread of Sm–Ga bond distances ranging from 3.07–3.33 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to four Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.65–3.06 Å. There are a spread of Sm–Ga bond distances ranging from 3.07–3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to four Sm, two equivalent Co, and three equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 9-coordinate geometry to four Sm, two equivalent Co, and three equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Sm and three equivalent Co atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to six Sm and three equivalent Co atoms.
DOI: 10.17188/1278201
title: Materials Data on NaSr3RuO6 by Materials Project

description: NaSr3RuO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.40 Å. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.81 Å. Ru5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ru–O bond lengths are 2.01 Å. O2- is bonded to one Na1+, four equivalent Sr2+, and one Ru5+ atom to form a mixture of distorted edge, face, and corner-sharing ONaSr4Ru octahedra. The corner-sharing octahedra tilt angles range from 0–62°.
DOI: 10.17188/1278202
title: Materials Data on BaFe2(P2O7)2 (SG:15) 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: 10.17188/1278203
title: Materials Data on Nd3InN by Materials Project

description: (Nd3In)2N2 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one ammonia molecule and one Nd3In framework. In the Nd3In framework, there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Nd–In bond lengths. In the third Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Nd–In bond lengths. In is bonded to six Nd atoms to form corner-sharing InNd6 octahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1278205
title: Materials Data on MnGa2Co by Materials Project

description: Ga2MnCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to six equivalent Co and eight equivalent Ga atoms. All Mn–Co bond lengths are 2.91 Å. All Mn–Ga bond lengths are 2.52 Å. Co is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ga atoms. All Co–Ga bond lengths are 2.52 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Co atoms.
DOI: 10.17188/1278206
title: Materials Data on GdSn3 by Materials Project

description: GdSn3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to nine Sn atoms. There are a spread of Gd–Sn bond distances ranging from 3.19–3.85 Å. In the second Gd site, Gd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Gd–Sn bond distances ranging from 3.27–3.66 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Gd and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Gd and six Sn atoms. There are four shorter (3.25 Å) and two longer (3.31 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Gd and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent Gd and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Gd and five Sn atoms. All Sn–Sn bond lengths are 3.24 Å. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Gd and four equivalent Sn atoms.
DOI: 10.17188/1278207
title: Materials Data on TbMn5Ge3 by Materials Project

description: TbMn5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.17–3.22 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.68 Å. In the second Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.73 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.73 Å. In the fourth Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.67 Å) and one longer (2.73 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.83–2.89 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms.
DOI: 10.17188/1278208
title: Materials Data on Sn by Materials Project

description: Sn is Copper structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sn is bonded to twelve equivalent Sn atoms to form a mixture of face, edge, and corner-sharing SnSn12 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.36–3.47 Å.
DOI: 10.17188/1278209
title: Materials Data on Eu by Materials Project

description: Eu is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Eu atoms to form a mixture of edge, face, and corner-sharing EuEu12 cuboctahedra. All Eu–Eu bond lengths are 3.90 Å.
DOI: 10.17188/1278210
title: Materials Data on Cu6Mo5O18 (SG:15) 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: 10.17188/1278211
title: Materials Data on RbV2SeO7 by Materials Project

description: RbV2SeO7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.34 Å. There are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.66–2.23 Å. In the second V+4.50+ site, V+4.50+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of V–O bond distances ranging from 1.69–1.87 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.72 Å) and one longer (1.79 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one V+4.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one V+4.50+, and one Se4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two V+4.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two V+4.50+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one V+4.50+, and one Se4+ atom.
DOI: 10.17188/1278212
title: Materials Data on Na2BeSiO4 by Materials Project

description: Na2BeSiO4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.46 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.93 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.55 Å. In the fourth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.48 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.65–1.67 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four SiO4 tetrahedra. All Be–O bond lengths are 1.66 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Be2+, and one Si4+ atom.
DOI: 10.17188/1278213
title: Materials Data on TiNiSn by Materials Project

description: TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded to six equivalent Ni and four equivalent Sn atoms to form a mixture of distorted face and corner-sharing TiNi6Sn4 tetrahedra. All Ti–Ni bond lengths are 3.07 Å. All Ti–Sn bond lengths are 2.66 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.66 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ni atoms.
DOI: 10.17188/1278214
title: Materials Data on Ce5C2Br9 by Materials Project

description: Ce5C2Br9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two C3- and six Br1- atoms. There are one shorter (2.47 Å) and one longer (2.48 Å) Ce–C bond lengths. There are a spread of Ce–Br bond distances ranging from 3.03–3.37 Å. In the second Ce3+ site, Ce3+ is bonded to one C3- and six Br1- atoms to form distorted corner-sharing CeCBr6 pentagonal bipyramids. The Ce–C bond length is 2.29 Å. There are a spread of Ce–Br bond distances ranging from 3.08–3.39 Å. In the third Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to two C3- and seven Br1- atoms. There are one shorter (2.41 Å) and one longer (2.53 Å) Ce–C bond lengths. There are a spread of Ce–Br bond distances ranging from 2.91–3.32 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one C3- and seven Br1- atoms. The Ce–C bond length is 2.34 Å. There are a spread of Ce–Br bond distances ranging from 2.96–3.61 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. The C–C bond length is 1.45 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to three Ce3+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Ce3+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to four Ce3+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to four Ce3+ atoms. In the sixth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Ce3+ atoms.
DOI: 10.17188/1278215
title: Materials Data on Tb3Ni by Materials Project

description: Tb3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted water-like geometry to two equivalent Ni atoms. There are one shorter (2.76 Å) and one longer (2.84 Å) Tb–Ni bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.74 Å) and one longer (2.82 Å) Tb–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Tb atoms.
DOI: 10.17188/1278216
title: Materials Data on EuAg by Materials Project

description: AgEu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four europium molecules and four silver molecules.