cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1652096
title: Materials Data on V3Sb(PO4)6 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: 10.17188/1652097
title: Materials Data on YbGa4Ni by Materials Project

description: YbNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to two equivalent Ni and six Ga atoms. Both Yb–Ni bond lengths are 2.84 Å. There are four shorter (3.04 Å) and two longer (3.12 Å) Yb–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a square co-planar geometry to two equivalent Yb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.57 Å. In the second Ga site, Ga is bonded in a 7-coordinate geometry to one Ni and six Ga atoms. All Ga–Ga bond lengths are 2.89 Å. In the third Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Yb, three equivalent Ni, and two equivalent Ga atoms.
DOI: 10.17188/1652098
title: Materials Data on HoP2(HO2)5 by Materials Project

description: (HoP2H5O9)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of one hydrogen peroxide molecule and one HoP2H5O9 framework. In the HoP2H5O9 framework, Ho is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.57 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. There are five inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the third H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one P and one H atom. In the second O site, O is bonded in a distorted water-like geometry to one Ho and two H atoms. In the third O site, O is bonded in a 2-coordinate geometry to two equivalent Ho and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ho and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Ho and two H atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Ho and one P atom. In the eighth O site, O is bonded in a 1-coordinate geometry to two equivalent Ho and one P atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two P atoms.
DOI: 10.17188/1652099
title: Materials Data on Pr(ClO2)3 by Materials Project

description: Pr(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Pr and one Cl atom. The O–Cl bond length is 1.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.
DOI: 10.17188/1652100
title: Materials Data on Li4V3P8O29 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: 10.17188/1652101
title: Materials Data on Er2Ga3Ni by Materials Project

description: Er2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (3.16 Å) and one longer (3.18 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 2.96–3.23 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.98 Å) and two longer (3.01 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 2.98–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Er and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Er, one Ni, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Er, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.66 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Er, one Ni, and three Ga atoms.
DOI: 10.17188/1652102
title: Materials Data on Zr4Cr by Materials Project

description: Zr4Cr is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Zr4Cr clusters. Zr is bonded in a single-bond geometry to one Cr atom. The Zr–Cr bond length is 2.38 Å. Cr is bonded in a tetrahedral geometry to four equivalent Zr atoms.
DOI: 10.17188/1652103
title: Materials Data on Sr5(SiN3)2 by Materials Project

description: Sr5(SiN3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.54–3.12 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.85 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SiN4 tetrahedra, corners with two equivalent SrN5 trigonal bipyramids, edges with two equivalent SiN4 tetrahedra, and an edgeedge with one SrN5 trigonal bipyramid. There are a spread of Sr–N bond distances ranging from 2.49–2.63 Å. Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with two equivalent SrN5 trigonal bipyramids, an edgeedge with one SiN4 tetrahedra, and edges with two equivalent SrN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.74–1.85 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three Sr2+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded to five Sr2+ and one Si4+ atom to form a mixture of distorted corner, edge, and face-sharing NSr5Si octahedra. The corner-sharing octahedra tilt angles range from 21–76°. In the third N3- site, N3- is bonded to five Sr2+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing NSr5Si octahedra. The corner-sharing octahedra tilt angles range from 21–76°.
DOI: 10.17188/1652104
title: Materials Data on Y3Bi by Materials Project

description: Y3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Bi atoms to form distorted YY8Bi4 cuboctahedra that share corners with twelve equivalent YY8Bi4 cuboctahedra, edges with eight equivalent BiY12 cuboctahedra, edges with sixteen equivalent YY8Bi4 cuboctahedra, faces with four equivalent BiY12 cuboctahedra, and faces with fourteen equivalent YY8Bi4 cuboctahedra. All Y–Y bond lengths are 3.46 Å. All Y–Bi bond lengths are 3.46 Å. Bi is bonded to twelve equivalent Y atoms to form BiY12 cuboctahedra that share corners with twelve equivalent BiY12 cuboctahedra, edges with twenty-four equivalent YY8Bi4 cuboctahedra, faces with six equivalent BiY12 cuboctahedra, and faces with twelve equivalent YY8Bi4 cuboctahedra.
DOI: 10.17188/1652106
title: Materials Data on Ca(B2O5)3 by Materials Project

description: Ca(B2O5)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ca–O bond distances ranging from 2.38–3.04 Å. There are six inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the fourth B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the fifth B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.39 Å) B–O bond length. In the sixth B site, B is bonded in a 1-coordinate geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.28–1.43 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ca and two B atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and two B atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and two B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and two B atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Ca and two B atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the ninth O site, O is bonded in a single-bond geometry to one B atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Ca and one B atom. In the eleventh O site, O is bonded in a single-bond geometry to one Ca and one B atom. In the twelfth O site, O is bonded in a distorted linear geometry to one Ca and one B atom. In the thirteenth O site, O is bonded in a water-like geometry to one Ca and one O atom. The O–O bond length is 1.31 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms.
DOI: 10.17188/1652107
title: Materials Data on Mn5SbO12 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: 10.17188/1652109
title: Materials Data on Pr4Mn2As5 by Materials Project

description: Pr4Mn2As5 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six As atoms to form a mixture of edge and corner-sharing PrAs6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (3.01 Å) and three longer (3.02 Å) Pr–As bond lengths. In the second Pr site, Pr is bonded to six As atoms to form PrAs6 octahedra that share corners with three equivalent PrAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with nine PrAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (2.99 Å) and three longer (3.09 Å) Pr–As bond lengths. Mn is bonded to four equivalent As atoms to form MnAs4 tetrahedra that share corners with six equivalent PrAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent PrAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are one shorter (2.42 Å) and three longer (2.54 Å) Mn–As bond lengths. There are three inequivalent As sites. In the first As site, As is bonded in a 7-coordinate geometry to three equivalent Pr and four equivalent Mn atoms. In the second As site, As is bonded to six Pr atoms to form a mixture of edge and corner-sharing AsPr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third As site, As is bonded to six equivalent Pr atoms to form a mixture of edge and corner-sharing AsPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1652110
title: Materials Data on LuZn4FeO7 by Materials Project

description: LuFeZn4O7 is Aluminum carbonitride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.22 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with six equivalent ZnO4 tetrahedra and corners with six equivalent FeO5 trigonal bipyramids. There is three shorter (1.94 Å) and two longer (2.04 Å) Fe–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent LuO6 octahedra and corners with nine ZnO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are one shorter (1.98 Å) and three longer (2.03 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with nine ZnO4 tetrahedra and corners with three equivalent FeO5 trigonal bipyramids. There are one shorter (2.00 Å) and three longer (2.03 Å) Zn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the second O2- site, O2- is bonded to one Fe3+ and three equivalent Zn2+ atoms to form corner-sharing OZn3Fe tetrahedra. In the third O2- site, O2- is bonded to three equivalent Lu3+ and one Zn2+ atom to form distorted OLu3Zn tetrahedra that share corners with twelve OZn4 tetrahedra and edges with three equivalent OLu3Zn tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Fe3+ atoms.
DOI: 10.17188/1652111
title: Materials Data on Pu3I by Materials Project

description: Pu3I is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu is bonded in a distorted see-saw-like geometry to four equivalent I atoms. There are two shorter (3.32 Å) and two longer (3.41 Å) Pu–I bond lengths. I is bonded to twelve equivalent Pu atoms to form a mixture of corner and face-sharing IPu12 cuboctahedra.
DOI: 10.17188/1652112
title: Materials Data on KSb5O13 by Materials Project

description: KO13Sb5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.84 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Sb–O bond distances ranging from 1.95–2.11 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sb–O bond distances ranging from 1.93–2.08 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–46°. There are a spread of Sb–O bond distances ranging from 1.96–2.19 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Sb5+ atoms.
DOI: 10.17188/1652113
title: Materials Data on MgZr by Materials Project

description: ZrMg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Zr atoms to form MgMg4Zr8 cuboctahedra that share corners with twelve equivalent MgMg4Zr8 cuboctahedra, edges with eight equivalent MgMg4Zr8 cuboctahedra, edges with sixteen equivalent ZrMg8Zr4 cuboctahedra, faces with eight equivalent ZrMg8Zr4 cuboctahedra, and faces with ten equivalent MgMg4Zr8 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. All Mg–Zr bond lengths are 3.16 Å. Zr is bonded to eight equivalent Mg and four equivalent Zr atoms to form ZrMg8Zr4 cuboctahedra that share corners with twelve equivalent ZrMg8Zr4 cuboctahedra, edges with eight equivalent ZrMg8Zr4 cuboctahedra, edges with sixteen equivalent MgMg4Zr8 cuboctahedra, faces with eight equivalent MgMg4Zr8 cuboctahedra, and faces with ten equivalent ZrMg8Zr4 cuboctahedra. All Zr–Zr bond lengths are 3.16 Å.
DOI: 10.17188/1652114
title: Materials Data on Th2AgP2O by Materials Project

description: Th2AgP2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Th2AgP2O ribbon oriented in the (0, 0, 1) direction. Th is bonded in a distorted linear geometry to one P and one O atom. The Th–P bond length is 2.77 Å. The Th–O bond length is 2.13 Å. Ag is bonded in a linear geometry to two equivalent P atoms. Both Ag–P bond lengths are 2.37 Å. P is bonded in a linear geometry to one Th and one Ag atom. O is bonded in a linear geometry to two equivalent Th atoms.
DOI: 10.17188/1652115
title: Materials Data on CaFeO2 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: 10.17188/1652116
title: Materials Data on LiCoBO3 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: 10.17188/1652118
title: Materials Data on Pr3Rh2 by Materials Project

description: Pr3Rh2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in an octahedral geometry to six equivalent Rh atoms. All Pr–Rh bond lengths are 3.08 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Rh atoms. There are three shorter (2.94 Å) and three longer (3.17 Å) Pr–Rh bond lengths. In the third Pr site, Pr is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.93–3.34 Å. Rh is bonded in a 8-coordinate geometry to eight Pr atoms.
DOI: 10.17188/1652119
title: Materials Data on DyAlCo by Materials Project

description: DyCoAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, five Co, and seven Al atoms. All Dy–Dy bond lengths are 3.25 Å. There are three shorter (2.89 Å) and two longer (3.18 Å) Dy–Co bond lengths. There are a spread of Dy–Al bond distances ranging from 3.13–3.16 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Dy, seven Co, and five Al atoms. The Dy–Dy bond length is 2.92 Å. There are a spread of Dy–Co bond distances ranging from 2.99–3.10 Å. There are a spread of Dy–Al bond distances ranging from 3.02–3.17 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Dy and six Al atoms to form CoDy6Al6 cuboctahedra that share corners with four equivalent CoDy6Al6 cuboctahedra, corners with four equivalent AlDy6Al2Co4 cuboctahedra, edges with two equivalent CoDy6Al6 cuboctahedra, and faces with fourteen AlDy6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.62–2.70 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Dy, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.54–2.80 Å. Both Co–Al bond lengths are 2.51 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to six Dy, four equivalent Co, and two equivalent Al atoms. Both Co–Al bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Dy, four Co, and two equivalent Al atoms to form distorted AlDy6Al2Co4 cuboctahedra that share corners with two equivalent CoDy6Al6 cuboctahedra, corners with four equivalent AlDy6Al4Co2 cuboctahedra, edges with six equivalent AlDy6Al2Co4 cuboctahedra, faces with three equivalent CoDy6Al6 cuboctahedra, and faces with eight AlDy6Al2Co4 cuboctahedra. Both Al–Al bond lengths are 2.76 Å. In the second Al site, Al is bonded to six Dy, two equivalent Co, and four Al atoms to form distorted AlDy6Al4Co2 cuboctahedra that share corners with eight AlDy6Al2Co4 cuboctahedra, edges with two equivalent AlDy6Al4Co2 cuboctahedra, faces with four equivalent CoDy6Al6 cuboctahedra, and faces with ten AlDy6Al2Co4 cuboctahedra. There are one shorter (2.67 Å) and one longer (2.72 Å) Al–Al bond lengths.
DOI: 10.17188/1652120
title: Materials Data on Mg2InAg by Materials Project

description: Mg2AgIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2AgIn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Ag and one In atom. The Mg–Ag bond length is 2.64 Å. The Mg–In bond length is 2.91 Å. Ag is bonded in a linear geometry to two equivalent Mg atoms. In is bonded in a linear geometry to two equivalent Mg atoms.