cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1693171
title: Materials Data on EuBi2 by Materials Project

description: EuBi2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Eu–Bi bond distances ranging from 3.42–3.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Eu and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.36 Å.
DOI: 10.17188/1693172
title: Materials Data on BaO 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: 10.17188/1693173
title: Materials Data on V3Fe(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: 10.17188/1693174
title: Materials Data on Yb5P12Ir19 by Materials Project

description: Yb5Ir19P12 crystallizes in the trigonal P31m 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 nine Ir and six equivalent P atoms. There are a spread of Yb–Ir bond distances ranging from 3.12–3.17 Å. All Yb–P bond lengths are 2.96 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to ten Ir and six P atoms. There are a spread of Yb–Ir bond distances ranging from 3.04–3.41 Å. There are a spread of Yb–P bond distances ranging from 2.97–3.04 Å. There are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted single-bond geometry to eight Ir and five P atoms. There are a spread of Ir–Ir bond distances ranging from 2.84–2.99 Å. There are one shorter (2.29 Å) and four longer (2.87 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent P atoms. All Ir–P bond lengths are 2.28 Å. In the third Ir site, Ir is bonded in a 12-coordinate geometry to three Yb, five Ir, and four P atoms. There are a spread of Ir–Ir bond distances ranging from 2.81–2.83 Å. There are a spread of Ir–P bond distances ranging from 2.38–2.44 Å. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Yb, six Ir, and four P atoms. There are a spread of Ir–P bond distances ranging from 2.37–2.41 Å. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to three Yb, five Ir, and four P atoms. The Ir–Ir bond length is 2.87 Å. There are a spread of Ir–P bond distances ranging from 2.27–2.61 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent Yb and five Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Ir atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Ir atoms.
DOI: 10.17188/1693175
title: Materials Data on NaCu5Se2Cl3O8 by Materials Project

description: NaCu5Se2O8Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Na–O bond length is 2.57 Å. There are a spread of Na–Cl bond distances ranging from 2.72–3.25 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.95–2.02 Å. The Cu–Cl bond length is 2.61 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to three O2- and two Cl1- atoms. There is two shorter (1.99 Å) and one longer (2.00 Å) Cu–O bond length. There are one shorter (2.21 Å) and one longer (2.85 Å) Cu–Cl bond lengths. In the third Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one Cl1- atom. There is two shorter (1.92 Å) and one longer (1.97 Å) Cu–O bond length. The Cu–Cl bond length is 2.36 Å. In the fourth Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.90–2.04 Å. The Cu–Cl bond length is 2.88 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.76 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.77 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded to four Cu2+ atoms to form OCu4 tetrahedra that share corners with three equivalent OCu4 tetrahedra and an edgeedge with one ClNa2Cu3 square pyramid. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Cu2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded to four Cu2+ atoms to form OCu4 tetrahedra that share corners with three equivalent OCu4 tetrahedra and an edgeedge with one ClNa2Cu3 square pyramid. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Se4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Na1+ and three Cu2+ atoms to form distorted ClNa2Cu3 square pyramids that share corners with two equivalent ClNa2Cu3 square pyramids and edges with two OCu4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a linear geometry to one Na1+ and one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Na1+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1693176
title: Materials Data on Li2ZnPb by Materials Project

description: Li2ZnPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Pb atoms to form distorted corner-sharing LiPb4 tetrahedra. All Li–Pb bond lengths are 2.90 Å. In the second Li site, Li is bonded to four equivalent Zn atoms to form distorted corner-sharing LiZn4 tetrahedra. All Li–Zn bond lengths are 2.90 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Zn–Pb bond lengths are 2.90 Å. Pb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Zn atoms.
DOI: 10.17188/1693179
title: Materials Data on FeO3 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: 10.17188/1693180
title: Materials Data on Tb2Ga3Co14 by Materials Project

description: Tb2Co14Ga3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to thirteen Co and six equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 3.02–3.28 Å. There are three shorter (3.14 Å) and three longer (3.21 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 1-coordinate geometry to sixteen Co and three equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.93–3.32 Å. All Tb–Ga bond lengths are 3.06 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to one Tb, ten Co, and three equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. All Co–Ga bond lengths are 2.66 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Tb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.54–2.67 Å. In the third Co site, Co is bonded to two Tb, eight Co, and two equivalent Ga atoms to form distorted CoTb2Ga2Co8 cuboctahedra that share corners with five equivalent GaTb3Co9 cuboctahedra, corners with nine CoTb2Ga2Co8 cuboctahedra, edges with three equivalent CoTb3Ga2Co7 cuboctahedra, edges with three equivalent GaTb3Co9 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.41 Å. Both Co–Ga bond lengths are 2.46 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two Tb, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.40–2.63 Å. There are one shorter (2.55 Å) and one longer (2.60 Å) Co–Ga bond lengths. In the fifth Co site, Co is bonded to three Tb, seven Co, and two equivalent Ga atoms to form distorted CoTb3Ga2Co7 cuboctahedra that share corners with seven CoTb2Ga2Co8 cuboctahedra, corners with eight equivalent GaTb3Co9 cuboctahedra, an edgeedge with one GaTb3Co9 cuboctahedra, edges with seven CoTb2Ga2Co8 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. Both Co–Ga bond lengths are 2.48 Å. Ga is bonded to three Tb and nine Co atoms to form GaTb3Co9 cuboctahedra that share corners with two equivalent GaTb3Co9 cuboctahedra, corners with thirteen CoTb2Ga2Co8 cuboctahedra, edges with four CoTb2Ga2Co8 cuboctahedra, edges with four equivalent GaTb3Co9 cuboctahedra, faces with four equivalent GaTb3Co9 cuboctahedra, and faces with six CoTb2Ga2Co8 cuboctahedra.
DOI: 10.17188/1693181
title: Materials Data on YV(SeO4)2 by Materials Project

description: YV(SeO4)2 crystallizes in the orthorhombic Aem2 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.45 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.41 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.76 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Se4+ atom.
DOI: 10.17188/1693182
title: Materials Data on CrCoB by Materials Project

description: CoB(Cr) is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Cr2+ is bonded in a 7-coordinate geometry to three equivalent Cr2+ and four equivalent B3- atoms. There are one shorter (2.28 Å) and two longer (2.43 Å) Cr–Cr bond lengths. All Cr–B bond lengths are 2.21 Å. Co1+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.13 Å. B3- is bonded in a 10-coordinate geometry to four equivalent Cr2+, four equivalent Co1+, and two equivalent B3- atoms. Both B–B bond lengths are 2.09 Å.
DOI: 10.17188/1693184
title: Materials Data on TbAlCu by Materials Project

description: TbCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Tb–Cu bond lengths. There are two shorter (3.20 Å) and four longer (3.24 Å) Tb–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Tb and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Al atoms. All Cu–Al bond lengths are 2.76 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tb, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å.
DOI: 10.17188/1693185
title: Materials Data on Na2TeO5 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: 10.17188/1693186
title: Materials Data on LiFe2OF3 by Materials Project

description: LiFe2OF3 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to one O2- and three equivalent F1- atoms to form LiOF3 tetrahedra that share corners with twelve FeF6 octahedra. The corner-sharing octahedra tilt angles range from 53–63°. The Li–O bond length is 1.99 Å. All Li–F bond lengths are 1.98 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form FeO2F4 octahedra that share corners with six equivalent LiOF3 tetrahedra and edges with six FeF6 octahedra. Both Fe–O bond lengths are 2.00 Å. All Fe–F bond lengths are 2.27 Å. In the second Fe2+ site, Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent LiOF3 tetrahedra and edges with six equivalent FeO2F4 octahedra. All Fe–F bond lengths are 2.12 Å. O2- is bonded to one Li1+ and three equivalent Fe2+ atoms to form corner-sharing OLiFe3 tetrahedra. F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Fe2+ atoms.
DOI: 10.17188/1693187
title: Materials Data on Er2Cu3Si by Materials Project

description: Er2Cu3Si is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to ten Cu and two equivalent Si atoms to form a mixture of face and edge-sharing ErCu10Si2 cuboctahedra. There are a spread of Er–Cu bond distances ranging from 2.97–3.05 Å. Both Er–Si bond lengths are 3.02 Å. In the second Er site, Er is bonded to eight Cu and four equivalent Si atoms to form a mixture of face and edge-sharing ErCu8Si4 cuboctahedra. There are a spread of Er–Cu bond distances ranging from 2.96–3.03 Å. All Er–Si bond lengths are 3.00 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Er and three Cu atoms. There are two shorter (2.44 Å) and one longer (2.46 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six Er, one Cu, and two equivalent Si atoms. Both Cu–Si bond lengths are 2.37 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to six Er, two equivalent Cu, and one Si atom. The Cu–Si bond length is 2.40 Å. Si is bonded in a 9-coordinate geometry to six Er and three Cu atoms.
DOI: 10.17188/1693188
title: Materials Data on CaGe2Pt by Materials Project

description: CaPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 10-coordinate geometry to four equivalent Pt and ten Ge atoms. All Ca–Pt bond lengths are 3.29 Å. There are a spread of Ca–Ge bond distances ranging from 3.30–3.47 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to six equivalent Pt and nine Ge atoms. All Ca–Pt bond lengths are 3.28 Å. There are a spread of Ca–Ge bond distances ranging from 3.05–3.51 Å. Pt is bonded in a 10-coordinate geometry to five Ca and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Ca and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ca, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Ca, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å.
DOI: 10.17188/1693189
title: Materials Data on Na2ZrFeSi2O8F by Materials Project

description: Na2ZrFeSi2O8F is Esseneite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Na–O bond distances ranging from 2.42–2.96 Å. The Na–F bond length is 2.33 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Na–O bond distances ranging from 2.37–3.06 Å. There are one shorter (2.33 Å) and one longer (2.45 Å) Na–F bond lengths. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent FeO5F octahedra, corners with five SiO4 tetrahedra, and an edgeedge with one FeO5F octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Zr–O bond distances ranging from 2.05–2.31 Å. Fe3+ is bonded to five O2- and one F1- atom to form FeO5F octahedra that share corners with two equivalent ZrO6 octahedra, corners with three SiO4 tetrahedra, an edgeedge with one ZrO6 octahedra, and an edgeedge with one FeO5F octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Fe–O bond distances ranging from 1.98–2.16 Å. The Fe–F bond length is 2.03 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent ZrO6 octahedra, corners with two equivalent FeO5F octahedra, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–58°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one FeO5F octahedra, corners with three equivalent ZrO6 octahedra, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–60°. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Zr4+, and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to three Na1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Zr4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Zr4+, one Fe3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Fe3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Zr4+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Zr4+, one Fe3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one Zr4+, and one Si4+ atom. F1- is bonded in a 4-coordinate geometry to three Na1+ and one Fe3+ atom.
DOI: 10.17188/1693190
title: Materials Data on Ho5P12Ru19 by Materials Project

description: Ho5Ru19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to ten Ru and six P atoms. There are a spread of Ho–Ru bond distances ranging from 3.04–3.34 Å. There are four shorter (3.04 Å) and two longer (3.07 Å) Ho–P bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to nine Ru and six equivalent P atoms. There are six shorter (3.13 Å) and three longer (3.14 Å) Ho–Ru bond lengths. All Ho–P bond lengths are 2.98 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent P atoms. All Ru–P bond lengths are 2.30 Å. In the second Ru site, Ru is bonded in a distorted single-bond geometry to six Ru and five P atoms. There are two shorter (2.84 Å) and four longer (2.88 Å) Ru–Ru bond lengths. There are one shorter (2.28 Å) and four longer (2.79 Å) Ru–P bond lengths. In the third Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Ru, and four P atoms. All Ru–Ru bond lengths are 2.82 Å. There are two shorter (2.30 Å) and two longer (2.34 Å) Ru–P bond lengths. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to three Ho, five Ru, and four P atoms. Both Ru–Ru bond lengths are 2.80 Å. There are a spread of Ru–P bond distances ranging from 2.36–2.41 Å. In the fifth Ru site, Ru is bonded in a 12-coordinate geometry to three Ho, five Ru, and four P atoms. The Ru–Ru bond length is 2.74 Å. There are a spread of Ru–P bond distances ranging from 2.29–2.51 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent Ho and five Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ru atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ru atoms.