cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753193
title: Materials Data on Mg6NiSn by Materials Project

description: Mg6NiSn crystallizes in the tetragonal P4_2cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ni and one Sn atom. There are one shorter (2.66 Å) and one longer (2.70 Å) Mg–Ni bond lengths. The Mg–Sn bond length is 3.11 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to one Ni and two equivalent Sn atoms. The Mg–Ni bond length is 2.75 Å. There are one shorter (2.97 Å) and one longer (3.07 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a distorted linear geometry to two equivalent Ni atoms. Both Mg–Ni bond lengths are 2.70 Å. In the fourth Mg site, Mg is bonded to four equivalent Sn atoms to form edge-sharing MgSn4 tetrahedra. There are two shorter (2.94 Å) and two longer (3.00 Å) Mg–Sn bond lengths. In the fifth Mg site, Mg is bonded in a distorted linear geometry to one Ni and one Sn atom. The Mg–Ni bond length is 2.55 Å. The Mg–Sn bond length is 2.90 Å. Ni is bonded in a 9-coordinate geometry to eight Mg and one Sn atom. The Ni–Sn bond length is 2.68 Å. Sn is bonded in a 10-coordinate geometry to nine Mg and one Ni atom.
DOI: 10.17188/1753194
title: Materials Data on LaCoSi2 by Materials Project

description: LaCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All La–Co bond lengths are 3.21 Å. There are a spread of La–Si bond distances ranging from 3.14–3.27 Å. Co is bonded in a 9-coordinate geometry to four equivalent La and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Co atoms.
DOI: 10.17188/1753195
title: Materials Data on Co2Ni2Te5 by Materials Project

description: Co2Ni2Te5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with nine NiTe6 octahedra, edges with four CoTe6 octahedra, and faces with two NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Te bond distances ranging from 2.57–2.63 Å. In the second Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with ten NiTe6 octahedra, edges with five CoTe6 octahedra, and a faceface with one NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Co–Te bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six Te2- atoms to form NiTe6 octahedra that share corners with ten CoTe6 octahedra, edges with five NiTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Ni–Te bond distances ranging from 2.58–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to six Te2- atoms to form NiTe6 octahedra that share corners with nine CoTe6 octahedra, edges with four NiTe6 octahedra, and faces with two CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ni–Te bond distances ranging from 2.61–2.68 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three Co3+ and two equivalent Ni2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three Co3+ and two Ni2+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two Co3+ and three Ni2+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Co3+ and three Ni2+ atoms. In the fifth Te2- site, Te2- is bonded in a 4-coordinate geometry to two Co3+ and two Ni2+ atoms.
DOI: 10.17188/1753196
title: Materials Data on NaV2O4 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: 10.17188/1753197
title: Materials Data on K3TlF6 by Materials Project

description: K3TlF6 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a q6 geometry to twelve equivalent F1- atoms. All K–F bond lengths are 3.25 Å. In the second K1+ site, K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share faces with four equivalent KF6 octahedra and faces with four equivalent TlF6 octahedra. All K–F bond lengths are 3.23 Å. In the third K1+ site, K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six TlF6 octahedra and a faceface with one KF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 19–40°. There are three shorter (2.59 Å) and three longer (2.60 Å) K–F bond lengths. In the fourth K1+ site, K1+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.65 Å) and two longer (2.72 Å) K–F bond lengths. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Tl–F bond lengths are 2.20 Å. In the second Tl3+ site, Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent KF6 octahedra and faces with two equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Tl–F bond lengths are 2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three K1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three K1+ and one Tl3+ atom.
DOI: 10.17188/1753198
title: Materials Data on Yb2I2F by Materials Project

description: Yb2I2F is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Yb2I2F cluster. Yb is bonded in a linear geometry to one I and one F atom. The Yb–I bond length is 2.82 Å. The Yb–F bond length is 2.12 Å. I is bonded in a single-bond geometry to one Yb atom. F is bonded in a linear geometry to two equivalent Yb atoms.
DOI: 10.17188/1753200
title: Materials Data on Co2NiN2 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: 10.17188/1753201
title: Materials Data on CaPIO8 by Materials Project

description: CaPO8I crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one CaPO8I sheet oriented in the (0, 1, 0) direction. Ca is bonded to six O atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent PO4 tetrahedra, edges with two equivalent CaO6 pentagonal pyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.31–2.53 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 pentagonal pyramids and an edgeedge with one CaO6 pentagonal pyramid. There is two shorter (1.51 Å) and two longer (1.63 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Ca and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ca and one I atom. The O–I bond length is 1.80 Å. In the fourth O site, O is bonded in a water-like geometry to one O and one I atom. The O–I bond length is 2.16 Å. I is bonded in a see-saw-like geometry to four O atoms.
DOI: 10.17188/1753202
title: Materials Data on Na9CaFe10(SiO3)20 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: 10.17188/1753203
title: Materials Data on MgCdRh2 by Materials Project

description: MgRh2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgRh2Cd ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Rh atoms. Both Mg–Rh bond lengths are 2.49 Å. Rh is bonded in a linear geometry to one Mg and one Cd atom. The Rh–Cd bond length is 2.66 Å. Cd is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1753204
title: Materials Data on Pr12Co6Pb by Materials Project

description: Pr12Co6Pb crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to three equivalent Co and one Pb atom. There are one shorter (2.83 Å) and two longer (2.97 Å) Pr–Co bond lengths. The Pr–Pb bond length is 3.70 Å. Co is bonded in a 7-coordinate geometry to six equivalent Pr and one Co atom. The Co–Co bond length is 2.26 Å. Pb is bonded in a cuboctahedral geometry to twelve equivalent Pr atoms.
DOI: 10.17188/1753205
title: Materials Data on Dy2Al5Fe12 by Materials Project

description: Dy2Fe12Al5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.89–3.29 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.19 Å. There are a spread of Dy–Al bond distances ranging from 2.95–3.24 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.55 Å. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are two shorter (2.54 Å) and two longer (2.56 Å) Fe–Fe bond lengths. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are one shorter (2.54 Å) and one longer (2.80 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are one shorter (2.54 Å) and one longer (2.80 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Dy, nine Fe, and four Al atoms. There are one shorter (2.45 Å) and three longer (2.62 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Al atoms. In the third Al site, Al is bonded to two equivalent Dy, eight Fe, and two equivalent Al atoms to form distorted face-sharing AlDy2Al2Fe8 cuboctahedra.
DOI: 10.17188/1753206
title: Materials Data on V2FeO4 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: 10.17188/1753207
title: Materials Data on Y2MnS4 by Materials Project

description: MnY2S4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven S2- atoms to form distorted YS7 pentagonal bipyramids that share corners with four equivalent YS6 octahedra, corners with four equivalent MnS6 octahedra, edges with three equivalent YS6 octahedra, edges with three equivalent MnS6 octahedra, and faces with two equivalent YS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 16–67°. There are a spread of Y–S bond distances ranging from 2.73–3.04 Å. In the second Y3+ site, Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with three equivalent MnS6 octahedra, corners with four equivalent YS7 pentagonal bipyramids, edges with two equivalent YS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with three equivalent YS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 10–53°. There are a spread of Y–S bond distances ranging from 2.71–2.77 Å. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with three equivalent YS6 octahedra, corners with four equivalent YS7 pentagonal bipyramids, edges with two equivalent MnS6 octahedra, edges with three equivalent YS6 octahedra, and edges with three equivalent YS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 10–53°. There are a spread of Mn–S bond distances ranging from 2.52–2.64 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Y3+ and one Mn2+ atom to form distorted SY4Mn trigonal bipyramids that share corners with eight SY3Mn2 square pyramids, corners with five equivalent SY3Mn tetrahedra, edges with four SY3Mn2 square pyramids, an edgeedge with one SY3Mn tetrahedra, and edges with two equivalent SY4Mn trigonal bipyramids. In the second S2- site, S2- is bonded to three Y3+ and two equivalent Mn2+ atoms to form SY3Mn2 square pyramids that share corners with two equivalent SY3Mn2 square pyramids, corners with two equivalent SY3Mn tetrahedra, corners with six equivalent SY4Mn trigonal bipyramids, edges with five SY3Mn2 square pyramids, edges with two equivalent SY3Mn tetrahedra, and an edgeedge with one SY4Mn trigonal bipyramid. In the third S2- site, S2- is bonded to three Y3+ and two equivalent Mn2+ atoms to form SY3Mn2 square pyramids that share corners with two equivalent SY3Mn2 square pyramids, corners with five equivalent SY3Mn tetrahedra, corners with two equivalent SY4Mn trigonal bipyramids, edges with five SY3Mn2 square pyramids, an edgeedge with one SY3Mn tetrahedra, and edges with three equivalent SY4Mn trigonal bipyramids. In the fourth S2- site, S2- is bonded to three Y3+ and one Mn2+ atom to form distorted SY3Mn tetrahedra that share corners with seven SY3Mn2 square pyramids, corners with two equivalent SY3Mn tetrahedra, corners with five equivalent SY4Mn trigonal bipyramids, edges with three SY3Mn2 square pyramids, and an edgeedge with one SY4Mn trigonal bipyramid.
DOI: 10.17188/1753208
title: Materials Data on CaAs3F15 by Materials Project

description: CaAs3F15 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.37–2.47 Å. There are three inequivalent As+4.33+ sites. In the first As+4.33+ site, As+4.33+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.81 Å. In the second As+4.33+ site, As+4.33+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.81 Å. In the third As+4.33+ site, As+4.33+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is one shorter (1.74 Å) and two longer (1.80 Å) As–F bond length. There are fifteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one As+4.33+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one As+4.33+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the ninth F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Ca2+ and one As+4.33+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one As+4.33+ atom.
DOI: 10.17188/1753209
title: Materials Data on Mg2Sb by Materials Project

description: Mg2Sb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Sb atoms to form distorted MgMg8Sb4 cuboctahedra that share corners with four equivalent SbMg9 cuboctahedra, corners with eighteen equivalent MgMg8Sb4 cuboctahedra, edges with four equivalent SbMg9 cuboctahedra, edges with ten MgMg8Sb4 cuboctahedra, faces with eight equivalent SbMg9 cuboctahedra, and faces with twelve MgMg8Sb4 cuboctahedra. There are two shorter (3.24 Å) and six longer (3.26 Å) Mg–Mg bond lengths. All Mg–Sb bond lengths are 3.24 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Sb atoms to form distorted MgMg6Sb6 cuboctahedra that share corners with twelve equivalent SbMg9 cuboctahedra, edges with six equivalent SbMg9 cuboctahedra, edges with eighteen MgMg8Sb4 cuboctahedra, and faces with fourteen MgMg8Sb4 cuboctahedra. All Mg–Sb bond lengths are 3.26 Å. Sb is bonded to nine Mg atoms to form distorted SbMg9 cuboctahedra that share corners with twelve MgMg8Sb4 cuboctahedra, corners with fifteen equivalent SbMg9 cuboctahedra, edges with nine MgMg8Sb4 cuboctahedra, faces with five equivalent SbMg9 cuboctahedra, and faces with twelve equivalent MgMg8Sb4 cuboctahedra.
DOI: 10.17188/1753210
title: Materials Data on B8PbO15 by Materials Project

description: B8PbO15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.46 Å) and one longer (1.55 Å) B–O bond length. 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 1.46–1.54 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 1.36–1.39 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. In the fifth 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 1.46–1.52 Å. In the sixth 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 1.35–1.40 Å. In the seventh B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the eighth B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. Pb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.71 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three B atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B and one Pb atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B and one Pb atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two B and one Pb atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two B atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two B and one Pb atom. In the tenth O site, O is bonded in a single-bond geometry to one B and one Pb atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the twelfth O site, O is bonded in a single-bond geometry to one B atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourteenth O site, O is bonded in a single-bond geometry to one B and one Pb atom. In the fifteenth O site, O is bonded in a single-bond geometry to one B atom.
DOI: 10.17188/1753211
title: Materials Data on Ho12In3Fe2 by Materials Project

description: Ho12Fe2In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Ho–Fe bond length is 2.99 Å. There are a spread of Ho–In bond distances ranging from 3.15–3.77 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Ho–Fe bond lengths are 2.87 Å. Both Ho–In bond lengths are 3.50 Å. Fe is bonded in a 9-coordinate geometry to eight Ho and one Fe atom. The Fe–Fe bond length is 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Ho atoms to form a mixture of distorted corner and face-sharing InHo12 cuboctahedra. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.