cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1274643
title: Materials Data on TbGa2Co3 by Materials Project

description: TbCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to twelve equivalent Co and six equivalent Ga atoms. All Tb–Co bond lengths are 3.22 Å. All Tb–Ga bond lengths are 3.01 Å. Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.61 Å. All Co–Ga bond lengths are 2.42 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Co atoms.
DOI: 10.17188/1274644
title: Materials Data on CdBr2 by Materials Project

description: CdBr2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three CdBr2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent Br1- atoms to form edge-sharing CdBr6 octahedra. All Cd–Br bond lengths are 2.83 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1274645
title: Materials Data on In4Br7 by Materials Project

description: In4Br7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent In+1.75+ sites. In the first In+1.75+ site, In+1.75+ is bonded in a 3-coordinate geometry to three equivalent Br1- atoms. All In–Br bond lengths are 3.26 Å. In the second In+1.75+ site, In+1.75+ is bonded in a tetrahedral geometry to four Br1- atoms. All In–Br bond lengths are 2.54 Å. In the third In+1.75+ site, In+1.75+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are three shorter (3.25 Å) and one longer (3.42 Å) In–Br bond lengths. In the fourth In+1.75+ site, In+1.75+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.72 Å. In the fifth In+1.75+ site, In+1.75+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All In–Br bond lengths are 3.54 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to two In+1.75+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three In+1.75+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to two In+1.75+ atoms.
DOI: 10.17188/1274646
title: Materials Data on Gd(Al3Ni)3 by Materials Project

description: GdNi3Al9 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ni and eleven Al atoms. There are three shorter (3.29 Å) and three longer (3.30 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.00–3.17 Å. Ni is bonded in a 8-coordinate geometry to two equivalent Gd and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.63 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.84 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and six Al atoms. There are two shorter (2.63 Å) and four longer (2.81 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a linear geometry to two equivalent Ni and six Al atoms. There are two shorter (2.81 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd, three equivalent Ni, and five Al atoms. There are one shorter (2.71 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni and seven Al atoms. The Al–Al bond length is 2.87 Å. In the sixth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms.
DOI: 10.17188/1274647
title: Materials Data on Na2UBr6 by Materials Project

description: Na2UBr6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with four equivalent UBr6 octahedra, an edgeedge with one UBr6 octahedra, and edges with three equivalent NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are a spread of Na–Br bond distances ranging from 2.98–3.10 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded to six Br1- atoms to form UBr6 octahedra that share corners with twelve equivalent NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are three shorter (2.79 Å) and three longer (2.81 Å) U–Br bond lengths. In the second U4+ site, U4+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with six equivalent NaBr6 octahedra. All U–Br bond lengths are 2.80 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom. In the third Br1- site, Br1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom.
DOI: 10.17188/1274648
title: Materials Data on CaCdSn by Materials Project

description: CaCdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Cd and five Sn atoms. There are two shorter (3.45 Å) and four longer (3.70 Å) Ca–Cd bond lengths. There are one shorter (3.26 Å) and four longer (3.30 Å) Ca–Sn bond lengths. Cd is bonded in a 12-coordinate geometry to six equivalent Ca, two equivalent Cd, and four Sn atoms. Both Cd–Cd bond lengths are 3.39 Å. There are two shorter (2.94 Å) and two longer (3.07 Å) Cd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Cd atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Cd atoms.
DOI: 10.17188/1274649
title: Materials Data on SiC by Materials Project

description: SiC is Moissanite-6H-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are six inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. In the second Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fourth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fifth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. In the sixth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. There are five inequivalent C4- sites. In the first C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. All C–Si bond lengths are 1.89 Å. In the third C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fourth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fifth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra.
DOI: 10.17188/1274650
title: Materials Data on Na5LiN2 by Materials Project

description: Na5LiN2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.62 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent N3- atoms. There are one shorter (2.45 Å) and one longer (2.63 Å) Na–Li bond lengths. There are one shorter (2.68 Å) and one longer (2.69 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.75 Å) and two longer (2.77 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.81 Å) Na–N bond lengths. Li1+ is bonded in a 4-coordinate geometry to four equivalent Na1+ and four equivalent N3- atoms. There are two shorter (2.44 Å) and two longer (2.68 Å) Li–N bond lengths. N3- is bonded in a 10-coordinate geometry to eight Na1+ and two equivalent Li1+ atoms.
DOI: 10.17188/1274651
title: Materials Data on Pr(NiSb)2 by Materials Project

description: PrNi2Sb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Pr–Sb bond lengths are 3.43 Å. Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.50 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Ni+1.50+, and one Sb3- atom. The Sb–Sb bond length is 2.92 Å.
DOI: 10.17188/1274652
title: Materials Data on YbIr by Materials Project

description: YbIr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Yb–Ir bond lengths are 2.91 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1274653
title: Materials Data on CsPr9Nb(Br5N2)3 by Materials Project

description: CsPr9Nb(N2Br5)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are three shorter (3.77 Å) and six longer (3.79 Å) Cs–Br bond lengths. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Br1- atoms. Both Pr–N bond lengths are 2.30 Å. There are a spread of Pr–Br bond distances ranging from 3.12–3.40 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to two equivalent N3- and five Br1- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Pr–N bond lengths. There are a spread of Pr–Br bond distances ranging from 3.04–3.28 Å. Nb5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent N3- atoms. All Nb–N bond lengths are 2.15 Å. N3- is bonded to three Pr3+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing NPr3Nb trigonal pyramids. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three Pr3+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to one Cs1+ and three Pr3+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to one Cs1+ and three Pr3+ atoms.
DOI: 10.17188/1274654
title: Materials Data on Dy2Ni7Sn3 by Materials Project

description: Dy2Ni7Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to eight Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–3.39 Å. There are a spread of Dy–Sn bond distances ranging from 3.17–3.30 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to ten Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.93–3.47 Å. There are a spread of Dy–Sn bond distances ranging from 3.27–3.31 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Dy, one Ni, and four Sn atoms. The Ni–Ni bond length is 2.60 Å. There are a spread of Ni–Sn bond distances ranging from 2.61–2.69 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Dy, seven Ni, and three Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.88 Å. There are two shorter (2.54 Å) and one longer (2.57 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to two Dy, five Ni, and four Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.53 Å. There are a spread of Ni–Sn bond distances ranging from 2.57–3.01 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Dy, four Ni, and three Sn atoms. There are one shorter (2.56 Å) and one longer (2.63 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to two equivalent Dy, six Ni, and three Sn atoms. There are two shorter (2.61 Å) and one longer (2.81 Å) Ni–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the third Sn site, Sn is bonded to four Dy and eight Ni atoms to form a mixture of distorted face and corner-sharing SnDy4Ni8 cuboctahedra.
DOI: 10.17188/1274655
title: Materials Data on VPd3 by Materials Project

description: Pd3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Pd atoms to form VPd12 cuboctahedra that share corners with twelve equivalent VPd12 cuboctahedra, edges with twenty-four equivalent PdV4Pd8 cuboctahedra, faces with six equivalent VPd12 cuboctahedra, and faces with twelve equivalent PdV4Pd8 cuboctahedra. All V–Pd bond lengths are 2.76 Å. Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen equivalent PdV4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å.
DOI: 10.17188/1274656
title: Materials Data on Bi by Materials Project

description: Bi crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Bi ribbons oriented in the (0, 0, 1) direction. Bi is bonded in a linear geometry to two equivalent Bi atoms. Both Bi–Bi bond lengths are 2.86 Å.
DOI: 10.17188/1274657
title: Materials Data on SrAg by Materials Project

description: SrAg crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.36–3.49 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.36–3.49 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.38–3.48 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.37–3.48 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.37–3.49 Å. There are five inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.95 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.95 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.95 Å. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms. In the fifth Ag site, Ag is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ag atoms.
DOI: 10.17188/1274658
title: Materials Data on HfAl3 by Materials Project

description: Al3Hf is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Al atoms to form HfAl12 cuboctahedra that share corners with four equivalent AlHf4Al8 cuboctahedra, corners with eight equivalent HfAl12 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with twenty AlHf4Al8 cuboctahedra, faces with five equivalent HfAl12 cuboctahedra, and faces with thirteen AlHf4Al8 cuboctahedra. There are a spread of Hf–Al bond distances ranging from 2.83–3.00 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Hf and eight Al atoms to form distorted AlHf4Al8 cuboctahedra that share corners with four equivalent HfAl12 cuboctahedra, corners with eight equivalent AlHf4Al8 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with twenty AlHf4Al8 cuboctahedra, faces with five equivalent HfAl12 cuboctahedra, and faces with thirteen AlHf4Al8 cuboctahedra. There are four shorter (2.93 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Hf and eight Al atoms to form distorted AlHf4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with eight equivalent HfAl12 cuboctahedra, edges with sixteen AlHf4Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded to four equivalent Hf and eight Al atoms to form AlHf4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with eight equivalent HfAl12 cuboctahedra, edges with sixteen AlHf4Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.83 Å.
DOI: 10.17188/1274659
title: Materials Data on SmInAg2 by Materials Project

description: SmInAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Sm–Ag bond lengths are 3.07 Å. All Sm–In bond lengths are 3.55 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent In atoms. All Ag–In bond lengths are 3.07 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sm and eight equivalent Ag atoms.
DOI: 10.17188/1274660
title: Materials Data on CdBr2 by Materials Project

description: CdBr2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six CdBr2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent Br1- atoms to form edge-sharing CdBr6 octahedra. All Cd–Br bond lengths are 2.83 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1274661
title: Materials Data on YbGePd by Materials Project

description: YbPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are four shorter (3.10 Å) and two longer (3.11 Å) Yb–Pd bond lengths. There are two shorter (3.15 Å) and four longer (3.23 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.24 Å) and four longer (3.27 Å) Yb–Pd bond lengths. There are four shorter (3.02 Å) and two longer (3.06 Å) Yb–Ge bond lengths. In the third Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Yb–Pd bond distances ranging from 2.93–3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.08–3.21 Å. In the fourth Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Yb–Pd bond distances ranging from 3.03–3.18 Å. There are a spread of Yb–Ge bond distances ranging from 3.10–3.20 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Yb, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.02 Å. There are one shorter (2.54 Å) and two longer (2.59 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.70 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.75 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Yb, three Pd, and one Ge atom. The Ge–Ge bond length is 2.65 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Yb and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Yb and four Pd atoms.
DOI: 10.17188/1274662
title: Materials Data on Dy(FeB)2 by Materials Project

description: Dy(FeB)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent B atoms. All Dy–Fe bond lengths are 2.96 Å. All Dy–B bond lengths are 2.96 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent B atoms. All Fe–B bond lengths are 2.00 Å. B is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Fe atoms.
DOI: 10.17188/1274663
title: Materials Data on Mo(SeCl6)2 by Materials Project

description: Mo(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Mo4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Mo–Cl bond distances ranging from 2.36–2.43 Å. Se4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.19–3.04 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo4+ and one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Mo4+ and one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Mo4+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.