cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316136
title: Materials Data on YGa3 by Materials Project

description: YGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Ga atoms to form YGa12 cuboctahedra that share corners with twelve equivalent YGa12 cuboctahedra, edges with twenty-four equivalent GaY4Ga8 cuboctahedra, faces with six equivalent YGa12 cuboctahedra, and faces with twelve equivalent GaY4Ga8 cuboctahedra. All Y–Ga bond lengths are 3.03 Å. Ga is bonded to four equivalent Y and eight equivalent Ga atoms to form distorted GaY4Ga8 cuboctahedra that share corners with twelve equivalent GaY4Ga8 cuboctahedra, edges with eight equivalent YGa12 cuboctahedra, edges with sixteen equivalent GaY4Ga8 cuboctahedra, faces with four equivalent YGa12 cuboctahedra, and faces with fourteen equivalent GaY4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.03 Å.
DOI: 10.17188/1316137
title: Materials Data on YHoAg2 by Materials Project

description: HoYAg2 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 Ag atoms. All Ho–Ag bond lengths are 3.15 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Y–Ag bond lengths are 3.15 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Y atoms.
DOI: 10.17188/1316138
title: Materials Data on YHoZn2 by Materials Project

description: HoYZn2 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 Zn atoms. All Ho–Zn bond lengths are 3.10 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.10 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Y atoms.
DOI: 10.17188/1316139
title: Materials Data on YEr4Al15 by Materials Project

description: Er4YAl15 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Al atoms to form ErAl12 cuboctahedra that share corners with six equivalent AlY2Er2Al8 cuboctahedra, corners with nine ErAl12 cuboctahedra, edges with twelve equivalent AlEr4Al8 cuboctahedra, a faceface with one YAl12 cuboctahedra, faces with six ErAl12 cuboctahedra, and faces with nine equivalent AlEr4Al8 cuboctahedra. There are a spread of Er–Al bond distances ranging from 3.01–3.04 Å. In the second Er site, Er is bonded to twelve Al atoms to form ErAl12 cuboctahedra that share corners with twelve ErAl12 cuboctahedra, edges with fifteen AlY2Er2Al8 cuboctahedra, faces with three equivalent ErAl12 cuboctahedra, faces with three equivalent YAl12 cuboctahedra, and faces with six AlEr4Al8 cuboctahedra. There are a spread of Er–Al bond distances ranging from 2.97–3.04 Å. Y is bonded to twelve Al atoms to form YAl12 cuboctahedra that share corners with six equivalent YAl12 cuboctahedra, corners with twelve equivalent AlEr4Al8 cuboctahedra, edges with six equivalent AlY2Er2Al8 cuboctahedra, faces with six equivalent AlY2Er2Al8 cuboctahedra, and faces with eight ErAl12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Y–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four Er and eight Al atoms to form distorted AlEr4Al8 cuboctahedra that share corners with two equivalent YAl12 cuboctahedra, corners with ten AlY2Er2Al8 cuboctahedra, edges with seven ErAl12 cuboctahedra, edges with eight equivalent AlEr4Al8 cuboctahedra, faces with four ErAl12 cuboctahedra, and faces with ten AlEr4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.93–3.07 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to three Er, one Y, and six Al atoms. There are two shorter (2.73 Å) and two longer (2.92 Å) Al–Al bond lengths. In the third Al site, Al is bonded to two equivalent Er, two equivalent Y, and eight Al atoms to form distorted AlY2Er2Al8 cuboctahedra that share corners with four equivalent ErAl12 cuboctahedra, corners with fourteen AlY2Er2Al8 cuboctahedra, edges with two equivalent YAl12 cuboctahedra, edges with four equivalent ErAl12 cuboctahedra, edges with four equivalent AlY2Er2Al8 cuboctahedra, faces with two equivalent ErAl12 cuboctahedra, faces with two equivalent YAl12 cuboctahedra, and faces with six AlEr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.
DOI: 10.17188/1316140
title: Materials Data on YHoCd2 by Materials Project

description: HoYCd2 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 Cd atoms. All Ho–Cd bond lengths are 3.25 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Y atoms.
DOI: 10.17188/1316141
title: Materials Data on YLuTl2 by Materials Project

description: LuYTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.27 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.27 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.
DOI: 10.17188/1316142
title: Materials Data on YLuZn2 by Materials Project

description: LuYZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Lu–Zn bond lengths are 3.07 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.07 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.
DOI: 10.17188/1316143
title: Materials Data on YLuCd2 by Materials Project

description: LuYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Lu–Cd bond lengths are 3.22 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.
DOI: 10.17188/1316144
title: Materials Data on YLuCu2 by Materials Project

description: LuYCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Lu–Cu bond lengths are 2.97 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Y–Cu bond lengths are 2.97 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.
DOI: 10.17188/1316145
title: Materials Data on DyYTl2 by Materials Project

description: DyYTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.29 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.29 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Y atoms.
DOI: 10.17188/1316146
title: Materials Data on YMg2Sc by Materials Project

description: Mg2YSc 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 Y and four equivalent Sc atoms. All Mg–Y bond lengths are 3.21 Å. All Mg–Sc bond lengths are 3.21 Å. Y is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1316147
title: Materials Data on YOsO3 by Materials Project

description: YOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Y–O bond lengths are 2.80 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Os3+ atoms.
DOI: 10.17188/1316149
title: Materials Data on SmCd3 by Materials Project

description: SmCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve Cd atoms to form a mixture of corner and face-sharing SmCd12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.38 Å) Sm–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms.
DOI: 10.17188/1316150
title: Materials Data on Sm3Er by Materials Project

description: ErSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sm atoms to form ErSm12 cuboctahedra that share corners with six equivalent ErSm12 cuboctahedra, corners with twelve equivalent SmSm8Er4 cuboctahedra, edges with eighteen equivalent SmSm8Er4 cuboctahedra, faces with eight equivalent ErSm12 cuboctahedra, and faces with twelve equivalent SmSm8Er4 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.66 Å) Er–Sm bond lengths. Sm is bonded to four equivalent Er and eight equivalent Sm atoms to form SmSm8Er4 cuboctahedra that share corners with four equivalent ErSm12 cuboctahedra, corners with fourteen equivalent SmSm8Er4 cuboctahedra, edges with six equivalent ErSm12 cuboctahedra, edges with twelve equivalent SmSm8Er4 cuboctahedra, faces with four equivalent ErSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Er4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.66 Å) Sm–Sm bond lengths.
DOI: 10.17188/1316151
title: Materials Data on K(SbSe2)2 by Materials Project

description: K(SbSe2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se+1.75- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted see-saw-like geometry to four Se+1.75- atoms. There are a spread of Sb–Se bond distances ranging from 2.62–3.21 Å. In the second Sb3+ site, Sb3+ is bonded to five Se+1.75- atoms to form distorted edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.59–3.40 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded in a 4-coordinate geometry to one K1+ and three Sb3+ atoms. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sb3+ atoms. In the third Se+1.75- site, Se+1.75- is bonded in a 1-coordinate geometry to two equivalent K1+, one Sb3+, and one Se+1.75- atom. The Se–Se bond length is 2.43 Å. In the fourth Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three equivalent K1+ and two Sb3+ atoms.
DOI: 10.17188/1316152
title: Materials Data on DyYZn2 by Materials Project

description: DyYZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.10 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.10 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Y atoms.
DOI: 10.17188/1316153
title: Materials Data on YHgPd2 by Materials Project

description: YPd2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Hg atoms. All Y–Pd bond lengths are 2.95 Å. All Y–Hg bond lengths are 3.40 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Hg atoms. All Pd–Hg bond lengths are 2.95 Å. Hg is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Pd atoms.
DOI: 10.17188/1316154
title: Materials Data on Sm3Ag by Materials Project

description: Sm3Ag is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ag atoms. There are two shorter (3.33 Å) and two longer (3.51 Å) Sm–Ag bond lengths. Ag is bonded to twelve equivalent Sm atoms to form a mixture of face and corner-sharing AgSm12 cuboctahedra.
DOI: 10.17188/1316155
title: Materials Data on YHoAl2 by Materials Project

description: HoYAl2 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 Al atoms. All Ho–Al bond lengths are 3.11 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Y–Al bond lengths are 3.11 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Y atoms.
DOI: 10.17188/1316156
title: Materials Data on TaTiFe2 by Materials Project

description: TiTaFe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Ti–Fe bond lengths are 2.61 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Ta–Fe bond lengths are 2.61 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms.
DOI: 10.17188/1316157
title: Materials Data on Rb(SbSe2)2 by Materials Project

description: Rb(SbSe2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.75- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–4.08 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five Se+1.75- atoms to form distorted edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.59–3.35 Å. In the second Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four Se+1.75- atoms. There are a spread of Sb–Se bond distances ranging from 2.62–3.18 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded to one Rb1+ and three Sb3+ atoms to form distorted edge-sharing SeRbSb3 trigonal pyramids. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Sb3+ atoms. In the third Se+1.75- site, Se+1.75- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Sb3+ atom. In the fourth Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms.
DOI: 10.17188/1316158
title: Materials Data on Sm3Ho by Materials Project

description: HoSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sm atoms to form HoSm12 cuboctahedra that share corners with six equivalent HoSm12 cuboctahedra, corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eighteen equivalent SmSm8Ho4 cuboctahedra, faces with eight equivalent HoSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ho4 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.65 Å) Ho–Sm bond lengths. Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with four equivalent HoSm12 cuboctahedra, corners with fourteen equivalent SmSm8Ho4 cuboctahedra, edges with six equivalent HoSm12 cuboctahedra, edges with twelve equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Ho4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.58–3.65 Å.
DOI: 10.17188/1316159
title: Materials Data on Yb4As2O by Materials Project

description: Yb4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.97 Å) and four longer (3.23 Å) Yb–As bond lengths. The Yb–O bond length is 2.59 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Yb–As bond lengths are 3.08 Å. Both Yb–O bond lengths are 2.26 Å. As3- is bonded in a 9-coordinate geometry to nine Yb2+ atoms. O2- is bonded to six Yb2+ atoms to form corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1316160
title: Materials Data on TmAs3 by Materials Project

description: TmAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm3+ is bonded to twelve equivalent As1- atoms to form a mixture of distorted corner and face-sharing TmAs12 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.16 Å) Tm–As bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent Tm3+ and two equivalent As1- atoms. Both As–As bond lengths are 2.70 Å.
DOI: 10.17188/1316161
title: Materials Data on VCuRh2 by Materials Project

description: VRh2Cu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All V–Rh bond lengths are 2.59 Å. Rh is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Cu atoms. All Rh–Cu bond lengths are 2.59 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1316162
title: Materials Data on Y2Au by Materials Project

description: Y2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Au atoms to form a mixture of corner and edge-sharing YAu4 tetrahedra. There are a spread of Y–Au bond distances ranging from 2.92–3.08 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to five equivalent Au atoms. There are a spread of Y–Au bond distances ranging from 2.97–3.65 Å. Au is bonded in a 9-coordinate geometry to nine Y atoms.
DOI: 10.17188/1316163
title: Materials Data on Yb5Sn3 by Materials Project

description: Yb5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Yb–Sn bond lengths are 3.34 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are three shorter (3.21 Å) and two longer (3.52 Å) Yb–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to nine Yb atoms.
DOI: 10.17188/1316164
title: Materials Data on TaO3 by Materials Project

description: TaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent O atoms to form a mixture of face and corner-sharing TaO12 cuboctahedra. There are six shorter (2.24 Å) and six longer (2.34 Å) Ta–O bond lengths. O is bonded in a see-saw-like geometry to four equivalent Ta atoms.
DOI: 10.17188/1316165
title: Materials Data on SmMn3 by Materials Project

description: SmMn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Mn atoms to form a mixture of corner and face-sharing SmMn12 cuboctahedra. There are six shorter (3.02 Å) and six longer (3.03 Å) Sm–Mn bond lengths. Mn is bonded in a 12-coordinate geometry to four equivalent Sm and six equivalent Mn atoms. There are two shorter (2.65 Å) and four longer (2.77 Å) Mn–Mn bond lengths.
DOI: 10.17188/1316166
title: Materials Data on Dy3Y by Materials Project

description: Dy3Y is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Y atoms to form DyDy8Y4 cuboctahedra that share corners with twelve equivalent DyDy8Y4 cuboctahedra, edges with eight equivalent YDy12 cuboctahedra, edges with sixteen DyDy8Y4 cuboctahedra, faces with four equivalent YDy12 cuboctahedra, and faces with fourteen DyDy8Y4 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.56 Å) Dy–Dy bond lengths. All Dy–Y bond lengths are 3.56 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Y atoms to form DyDy8Y4 cuboctahedra that share corners with four equivalent DyDy8Y4 cuboctahedra, corners with eight equivalent YDy12 cuboctahedra, edges with twenty-four DyDy8Y4 cuboctahedra, faces with six equivalent YDy12 cuboctahedra, and faces with twelve DyDy8Y4 cuboctahedra. All Dy–Y bond lengths are 3.55 Å. Y is bonded to twelve Dy atoms to form YDy12 cuboctahedra that share corners with four equivalent YDy12 cuboctahedra, corners with eight equivalent DyDy8Y4 cuboctahedra, edges with eight equivalent YDy12 cuboctahedra, edges with sixteen equivalent DyDy8Y4 cuboctahedra, faces with four equivalent YDy12 cuboctahedra, and faces with fourteen DyDy8Y4 cuboctahedra.
DOI: 10.17188/1316167
title: Materials Data on YNbRu2 by Materials Project

description: YNbRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.85 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.85 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Nb atoms.