cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310130
title: Materials Data on HoCdPd2 by Materials Project

description: HoPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ho–Pd bond lengths are 2.93 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.93 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310131
title: Materials Data on Ta2MnOs by Materials Project

description: Ta2MnOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Os atoms. All Ta–Mn bond lengths are 2.72 Å. All Ta–Os bond lengths are 2.72 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Os atoms. All Mn–Os bond lengths are 3.14 Å. Os is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Mn atoms.
DOI: 10.17188/1310132
title: Materials Data on LiMg2Zn by Materials Project

description: LiMg2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Li–Mg bond lengths are 2.87 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zn atoms. All Mg–Zn bond lengths are 2.87 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1310133
title: Materials Data on LiYb2Rh by Materials Project

description: LiYb2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.02 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Yb–Rh bond lengths are 3.02 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310134
title: Materials Data on Ta2FeOs by Materials Project

description: Ta2OsFe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Fe atoms. All Ta–Os bond lengths are 2.73 Å. All Ta–Fe bond lengths are 2.73 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1310135
title: Materials Data on Na3HfF8 by Materials Project

description: Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hf–F bond lengths are 2.12 Å. F is bonded to three Na and one Hf atom to form a mixture of corner and edge-sharing FNa3Hf tetrahedra.
DOI: 10.17188/1310136
title: Materials Data on NaMgSO4F by Materials Project

description: NaMg(SO4)F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Na–O bond distances ranging from 2.44–2.75 Å. The Na–F bond length is 2.19 Å. Mg2+ is bonded to four O2- and two equivalent F1- atoms to form MgO4F2 octahedra that share corners with two equivalent MgO4F2 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.14 Å) and two longer (2.16 Å) Mg–O bond lengths. Both Mg–F bond lengths are 1.92 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent MgO4F2 octahedra. The corner-sharing octahedra tilt angles range from 35–49°. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mg2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Mg2+, and one S6+ atom. F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Mg2+ atoms.
DOI: 10.17188/1310137
title: Materials Data on YbZn11 by Materials Project

description: YbZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are eight shorter (3.27 Å) and ten longer (3.42 Å) Yb–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Yb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–3.00 Å. In the second Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Yb and twelve Zn atoms. All Zn–Zn bond lengths are 2.80 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms.
DOI: 10.17188/1310138
title: Materials Data on LiSnIr2 by Materials Project

description: LiIr2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir and six equivalent Sn atoms. All Li–Ir bond lengths are 2.69 Å. All Li–Sn bond lengths are 3.11 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ir atoms.
DOI: 10.17188/1310139
title: Materials Data on LiYb2Tl by Materials Project

description: LiYb2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.33 Å. Yb is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Yb–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310140
title: Materials Data on Ta2MoOs by Materials Project

description: Ta2MoOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Os atoms. All Ta–Mo bond lengths are 2.78 Å. All Ta–Os bond lengths are 2.78 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1310141
title: Materials Data on LiYb2Pd by Materials Project

description: LiYb2Pd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.11 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms. All Yb–Pd bond lengths are 3.11 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310142
title: Materials Data on LiSc2Au by Materials Project

description: LiSc2Au is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. All Li–Sc bond lengths are 2.94 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms. All Sc–Au bond lengths are 2.94 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1310143
title: Materials Data on HoAgHg2 by Materials Project

description: HoAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Ho–Ag bond lengths are 3.55 Å. All Ho–Hg bond lengths are 3.07 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Ho and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.07 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Ag atoms.
DOI: 10.17188/1310144
title: Materials Data on PaAlAu2 by Materials Project

description: PaAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pa–Au bond lengths are 3.00 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Al atoms. All Au–Al bond lengths are 3.00 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310145
title: Materials Data on LiYb2Hg by Materials Project

description: LiYb2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.28 Å. Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Hg atoms. All Yb–Hg bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310146
title: Materials Data on Ta2MoRu by Materials Project

description: Ta2MoRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Ru atoms. All Ta–Mo bond lengths are 2.77 Å. All Ta–Ru bond lengths are 2.77 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1310147
title: Materials Data on Yb2SbAu by Materials Project

description: Yb2AuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent Sb3- atoms. All Yb–Au bond lengths are 3.22 Å. All Yb–Sb bond lengths are 3.22 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Yb2+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Yb2+ atoms.
DOI: 10.17188/1310148
title: Materials Data on LiSnRh2 by Materials Project

description: LiRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Sn atoms. All Li–Rh bond lengths are 2.69 Å. All Li–Sn bond lengths are 3.11 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.69 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Rh atoms.
DOI: 10.17188/1310149
title: Materials Data on Yb2PdPt by Materials Project

description: Yb2PtPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Pd atoms. All Yb–Pt bond lengths are 2.98 Å. All Yb–Pd bond lengths are 2.98 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310150
title: Materials Data on NpCdPt2 by Materials Project

description: NpPt2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Np–Pt bond lengths are 2.93 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Np and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.93 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.
DOI: 10.17188/1310151
title: Materials Data on NbInRu2 by Materials Project

description: NbRu2In is Heusler structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.77 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent In atoms. All Ru–In bond lengths are 2.77 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310152
title: Materials Data on Yb2SnHg by Materials Project

description: Yb2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Yb–Hg bond lengths are 3.28 Å. All Yb–Sn bond lengths are 3.28 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310153
title: Materials Data on Nd2BC by Materials Project

description: Nd2BC is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Nd2BC sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 3-coordinate geometry to three equivalent C3- atoms. There are one shorter (2.46 Å) and two longer (2.57 Å) Nd–C bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to four equivalent B3- and two equivalent C3- atoms. There are two shorter (2.71 Å) and two longer (2.89 Å) Nd–B bond lengths. Both Nd–C bond lengths are 2.61 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Nd3+ and one C3- atom. The B–C bond length is 1.50 Å. C3- is bonded to five Nd3+ and one B3- atom to form distorted edge-sharing CNd5B octahedra.
DOI: 10.17188/1310154
title: Materials Data on PaAgTe2 by Materials Project

description: PaAgTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Pa–Te bond lengths are 3.22 Å. Ag1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ag–Te bond lengths are 3.22 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ag1+ atoms.
DOI: 10.17188/1310155
title: Materials Data on Nd3(CuSn)4 by Materials Project

description: Nd3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.26 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.23 Å) and two longer (3.27 Å) Nd–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.36 Å) Nd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Nd, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.58 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.82 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.
DOI: 10.17188/1310156
title: Materials Data on NdAgAs2 by Materials Project

description: NdAgAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Nd–As bond distances ranging from 3.04–3.24 Å. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.80 Å) Ag–As bond lengths. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As2- atoms. Both As–As bond lengths are 2.64 Å.
DOI: 10.17188/1310157
title: Materials Data on ZnAg3 by Materials Project

description: Ag3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form AgZn4Ag8 cuboctahedra that share corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eight equivalent ZnAg12 cuboctahedra, edges with sixteen equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with fourteen equivalent AgZn4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.90 Å. All Ag–Zn bond lengths are 2.90 Å. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with twelve equivalent ZnAg12 cuboctahedra, edges with twenty-four equivalent AgZn4Ag8 cuboctahedra, faces with six equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.
DOI: 10.17188/1310158
title: Materials Data on Ac2SnHg by Materials Project

description: Ac2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Ac–Hg bond lengths are 3.53 Å. All Ac–Sn bond lengths are 3.53 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1310159
title: Materials Data on EuCdHg2 by Materials Project

description: EuHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Eu–Hg bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.24 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1310160
title: Materials Data on NdCrSe3 by Materials Project

description: NdCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Nd–Se bond distances ranging from 3.07–3.29 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Nd3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Cr3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Cr3+ atom.
DOI: 10.17188/1310161
title: Materials Data on HfZnIr2 by Materials Project

description: HfIr2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Hf–Ir bond lengths are 2.74 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zn atoms. All Ir–Zn bond lengths are 2.74 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1310162
title: Materials Data on HoLuMg2 by Materials Project

description: Mg2LuHo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms. All Mg–Lu bond lengths are 3.25 Å. All Mg–Ho bond lengths are 3.25 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Ho is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1310163
title: Materials Data on TiFeSi by Materials Project

description: TiFeSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to five Si4- atoms to form distorted TiSi5 trigonal bipyramids that share corners with five equivalent TiSi6 square pyramids, corners with two equivalent FeSi4 tetrahedra, an edgeedge with one TiSi6 square pyramid, edges with two equivalent FeSi4 tetrahedra, edges with two equivalent TiSi5 trigonal bipyramids, and a faceface with one TiSi6 square pyramid. There are a spread of Ti–Si bond distances ranging from 2.54–2.58 Å. In the second Ti2+ site, Ti2+ is bonded to six Si4- atoms to form distorted TiSi6 square pyramids that share corners with four equivalent FeSi4 tetrahedra, corners with five equivalent TiSi5 trigonal bipyramids, edges with two equivalent FeSi4 tetrahedra, an edgeedge with one TiSi5 trigonal bipyramid, faces with two equivalent TiSi6 square pyramids, and a faceface with one TiSi5 trigonal bipyramid. There are a spread of Ti–Si bond distances ranging from 2.54–3.07 Å. In the third Ti2+ site, Ti2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of Ti–Si bond distances ranging from 2.54–2.76 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four Si4- atoms to form distorted FeSi4 tetrahedra that share corners with four equivalent TiSi6 square pyramids, corners with two equivalent FeSi4 tetrahedra, corners with two equivalent TiSi5 trigonal bipyramids, edges with two equivalent TiSi6 square pyramids, and edges with two equivalent TiSi5 trigonal bipyramids. There are two shorter (2.38 Å) and two longer (2.41 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.32–2.39 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to four Ti2+ and six Fe2+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six Ti2+ and three Fe2+ atoms.
DOI: 10.17188/1310164
title: Materials Data on Yb2PdAu by Materials Project

description: Yb2PdAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms. All Yb–Pd bond lengths are 3.06 Å. All Yb–Au bond lengths are 3.06 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310165
title: Materials Data on YbO2 by Materials Project

description: YbO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb is bonded to six equivalent O atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles are 72°. There are two shorter (2.16 Å) and four longer (2.35 Å) Yb–O bond lengths. O is bonded in a 1-coordinate geometry to three equivalent Yb and one O atom. The O–O bond length is 1.46 Å.