cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1721872
title: Materials Data on CsCoH24(C7N4)2 by Materials Project

description: CsCo(CN)6(N(CH3)4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one CsCo(CN)6 framework. In the CsCo(CN)6 framework, Cs1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (3.69 Å) and two longer (3.73 Å) Cs–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. All Co–C bond lengths are 1.88 Å. There are two inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom.
DOI: 10.17188/1721875
title: Materials Data on Sn by Materials Project

description: Sn is Protactinium-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to ten Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.24–3.45 Å. In the second Sn site, Sn is bonded in a distorted q6 geometry to ten Sn atoms. There are two shorter (3.23 Å) and four longer (3.39 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.37–3.46 Å.
DOI: 10.17188/1721876
title: Materials Data on TlHg2Bi by Materials Project

description: Hg2TlBi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2TlBi ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to one Tl and one Bi atom. The Hg–Tl bond length is 3.01 Å. The Hg–Bi bond length is 2.88 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms. Bi is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1721877
title: Materials Data on Li2Cr(CO3)3 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: 10.17188/1721878
title: Materials Data on Co3Ru by Materials Project

description: Co3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve Co atoms to form RuCo12 cuboctahedra that share corners with six equivalent RuCo12 cuboctahedra, corners with twelve equivalent CoCo8Ru4 cuboctahedra, edges with eighteen CoCo8Ru4 cuboctahedra, faces with eight equivalent RuCo12 cuboctahedra, and faces with twelve CoCo8Ru4 cuboctahedra. There are six shorter (2.53 Å) and six longer (2.56 Å) Ru–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ru and eight Co atoms to form distorted CoCo8Ru4 cuboctahedra that share corners with four equivalent RuCo12 cuboctahedra, corners with fourteen CoCo8Ru4 cuboctahedra, edges with six equivalent RuCo12 cuboctahedra, edges with twelve CoCo8Ru4 cuboctahedra, faces with four equivalent RuCo12 cuboctahedra, and faces with sixteen CoCo8Ru4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.50–2.60 Å. In the second Co site, Co is bonded to four equivalent Ru and eight equivalent Co atoms to form distorted CoCo8Ru4 cuboctahedra that share corners with four equivalent RuCo12 cuboctahedra, corners with fourteen CoCo8Ru4 cuboctahedra, edges with six equivalent RuCo12 cuboctahedra, edges with twelve equivalent CoCo8Ru4 cuboctahedra, faces with four equivalent RuCo12 cuboctahedra, and faces with sixteen CoCo8Ru4 cuboctahedra.
DOI: 10.17188/1721879
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.11 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to one Mg and five Si atoms. The Mg–Mg bond length is 3.01 Å. There are a spread of Mg–Si bond distances ranging from 2.70–3.00 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.84–3.26 Å. There are a spread of Mg–Si bond distances ranging from 2.73–3.13 Å. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.80 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to one Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.84–3.08 Å. In the sixth Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.69–3.23 Å. In the seventh Mg site, Mg is bonded in a 4-coordinate geometry to one Mg and four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.79–3.02 Å. In the eighth Mg site, Mg is bonded in a 7-coordinate geometry to one Mg and seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.10 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom. The Si–Si bond length is 2.61 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.60 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to eight Mg and two Si atoms. The Si–Si bond length is 2.55 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. In the fifth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. In the sixth Si site, Si is bonded in a 10-coordinate geometry to nine Mg and one Si atom.
DOI: 10.17188/1721880
title: Materials Data on CrGaIr2 by Materials Project

description: CrIr2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CrIr2Ga ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a linear geometry to two equivalent Ir atoms. Both Cr–Ir bond lengths are 2.12 Å. Ir is bonded in a linear geometry to one Cr and one Ga atom. The Ir–Ga bond length is 2.40 Å. Ga is bonded in a linear geometry to two equivalent Ir atoms.
DOI: 10.17188/1721881
title: Materials Data on MnC8(Br2N)2 by Materials Project

description: MnBr4CC4NC3N is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; four methane molecules; four tetrabromomanganese molecules; and four C4N clusters. In each C4N cluster, there are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.56 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.56 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.68 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms.
DOI: 10.17188/1721882
title: Materials Data on Li4Mn3Fe(BO3)4 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: 10.17188/1721883
title: Materials Data on Mg2ZnAg by Materials Project

description: Mg2AgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2AgZn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Ag and one Zn atom. The Mg–Ag bond length is 2.68 Å. The Mg–Zn bond length is 2.82 Å. Ag is bonded in a linear geometry to two equivalent Mg atoms. Zn is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1721884
title: Materials Data on Li3Co2(GeO4)2 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: 10.17188/1721885
title: Materials Data on SrNdNiO4 by Materials Project

description: NdSrNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.73 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.75 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ni–O bond distances ranging from 1.91–2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent Nd3+, and one Ni3+ atom to form distorted OSr2Nd3Ni octahedra that share corners with seventeen OSr2Nd2Ni2 octahedra, edges with eight OSr2Nd3Ni octahedra, and faces with four equivalent OSr2Nd2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Nd3+, and one Ni3+ atom to form distorted OSr3Nd2Ni octahedra that share corners with seventeen OSr2Nd2Ni2 octahedra, edges with eight OSr2Nd3Ni octahedra, and faces with four equivalent OSr2Nd2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Ni3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2Nd2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.
DOI: 10.17188/1721886
title: Materials Data on NbCoSi by Materials Project

description: NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1721887
title: Materials Data on Rb2Mo3O11 by Materials Project

description: Rb2Mo3O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.37 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.29 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.27 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.27 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb and three Mo atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Rb and three Mo atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fifth O site, O is bonded in a distorted water-like geometry to two Rb atoms. In the sixth O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Mo atom.
DOI: 10.17188/1721888
title: Materials Data on Li7Mn5O12 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: 10.17188/1721889
title: Materials Data on NdFeSi by Materials Project

description: NdFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd2+ is bonded in a 1-coordinate geometry to five equivalent Fe2+ and six equivalent Si4- atoms. There are a spread of Nd–Fe bond distances ranging from 2.77–3.08 Å. There are a spread of Nd–Si bond distances ranging from 3.19–3.25 Å. Fe2+ is bonded in a 5-coordinate geometry to five equivalent Nd2+ and four equivalent Si4- atoms. There are two shorter (2.42 Å) and two longer (2.43 Å) Fe–Si bond lengths. Si4- is bonded to six equivalent Nd2+, four equivalent Fe2+, and two equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiNd6Fe4Si2 cuboctahedra. Both Si–Si bond lengths are 2.58 Å.
DOI: 10.17188/1721890
title: Materials Data on La2TiMnO6 by Materials Project

description: La2TiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.86 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There are a spread of Ti–O bond distances ranging from 1.98–2.00 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. All Mn–O bond lengths are 2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+, one Ti4+, and one Mn2+ atom to form distorted corner-sharing OLa2TiMn tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Mn2+ atom.
DOI: 10.17188/1721891
title: Materials Data on Cs2InBiBr6 by Materials Project

description: Cs2InBiBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent InBr6 octahedra, and faces with four equivalent BiBr6 octahedra. All Cs–Br bond lengths are 4.23 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent BiBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 3.09 Å. Bi3+ is bonded to six equivalent Br1- atoms to form BiBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Br bond lengths are 2.89 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Bi3+ atom.
DOI: 10.17188/1721893
title: Materials Data on TiCr by Materials Project

description: TiCr crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two TiCr sheets oriented in the (0, 1, 0) direction. Ti is bonded in a 4-coordinate geometry to four equivalent Cr atoms. All Ti–Cr bond lengths are 2.54 Å. Cr is bonded in a 4-coordinate geometry to four equivalent Ti atoms.
DOI: 10.17188/1721894
title: Materials Data on ZnMoN2 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: 10.17188/1721895
title: Materials Data on Mn2CrSi by Materials Project

description: Mn2CrSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All Cr–Mn bond lengths are 2.42 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Si atoms. All Mn–Si bond lengths are 2.42 Å. Si is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1721896
title: Materials Data on RbMgCO3F by Materials Project

description: RbMgCO3F crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to ten O2- and three equivalent F1- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.23 Å. There are one shorter (3.11 Å) and two longer (3.14 Å) Rb–F bond lengths. Mg2+ is bonded to four O2- and two equivalent F1- atoms to form corner-sharing MgO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.03 Å) and two longer (2.23 Å) Mg–O bond lengths. Both Mg–F bond lengths are 2.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to four equivalent Rb1+, one Mg2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Mg2+, and one C4+ atom. F1- is bonded in a linear geometry to three equivalent Rb1+ and two equivalent Mg2+ atoms.
DOI: 10.17188/1721897
title: Materials Data on Fe(BO2)2 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: 10.17188/1721898
title: Materials Data on Mo2P3O14 by Materials Project

description: Mo2P3O14 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to six O atoms to form MoO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.70–2.15 Å. In the second Mo site, Mo is bonded to six O atoms to form distorted MoO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.70–2.21 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the third P site, P is bonded to four O atoms to form distorted PO4 tetrahedra that share corners with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 26–41°. There are a spread of P–O bond distances ranging from 1.49–1.60 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mo and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one Mo and one P atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one P atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one P atom.
DOI: 10.17188/1721899
title: Materials Data on PmHoRu2 by Materials Project

description: HoPmRu2 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 Ru atoms. All Ho–Ru bond lengths are 2.98 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pm–Ru bond lengths are 2.98 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Pm atoms.