cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1202294
title: Materials Data on Th6CBr14 by Materials Project

description: Th6CBr14 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to one C and five Br atoms to form a mixture of distorted edge and corner-sharing ThCBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. The Th–C bond length is 2.56 Å. There are a spread of Th–Br bond distances ranging from 2.91–3.32 Å. In the second Th site, Th is bonded to one C and five Br atoms to form a mixture of edge and corner-sharing ThCBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. The Th–C bond length is 2.64 Å. There are a spread of Th–Br bond distances ranging from 2.90–3.04 Å. C is bonded in an octahedral geometry to six Th atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two Th atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Th atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms. In the fifth Br site, Br is bonded in a distorted bent 150 degrees geometry to two equivalent Th atoms.
DOI: 10.17188/1202295
title: Materials Data on Ca5Ni15B4 by Materials Project

description: Ca5Ni15B4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted hexagonal planar geometry to six Ni atoms. All Ca–Ni bond lengths are 2.94 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ca–Ni bond distances ranging from 2.98–3.07 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to twelve Ni and six B atoms. There are six shorter (2.85 Å) and six longer (2.95 Å) Ca–Ni bond lengths. All Ca–B bond lengths are 2.94 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ca and six equivalent Ni atoms to form edge-sharing NiCa6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.61 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Ca, two Ni, and two B atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) Ni–Ni bond lengths. There are one shorter (2.01 Å) and one longer (2.04 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Ni atoms. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Ni atoms. In the fifth Ni site, Ni is bonded in a distorted L-shaped geometry to five Ca, one Ni, and two B atoms. There are one shorter (2.01 Å) and one longer (2.02 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Ni atoms.
DOI: 10.17188/1202296
title: Materials Data on K3IO by Materials Project

description: K3OI is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a linear geometry to two equivalent O2- and four equivalent I1- atoms. Both K–O bond lengths are 2.69 Å. All K–I bond lengths are 3.81 Å. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent IK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded to twelve equivalent K1+ atoms to form IK12 cuboctahedra that share corners with twelve equivalent IK12 cuboctahedra, faces with six equivalent IK12 cuboctahedra, and faces with eight equivalent OK6 octahedra.
DOI: 10.17188/1202297
title: Materials Data on Pd(SCl3)2 by Materials Project

description: PdCl2(SCl2)2 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one palladium(ii) chloride molecule and two sulfur dichloride molecules.
DOI: 10.17188/1202298
title: Materials Data on Pd(SeCl3)2 by Materials Project

description: PdCl2(SeCl2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four palladium(ii) chloride molecules and eight selenium dichloride molecules.
DOI: 10.17188/1202299
title: Materials Data on Te2PdCl10 by Materials Project

description: PdTe2Cl10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PdTe2Cl10 clusters. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are three shorter (2.32 Å) and one longer (2.33 Å) Pd–Cl bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.34–2.86 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.34–3.34 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Pd2+ and one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and two Te4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one Te4+ atom. In the tenth Cl1- site, Cl1- is bonded in a water-like geometry to one Pd2+ and one Te4+ atom.
DOI: 10.17188/1202300
title: Materials Data on NaSbCl6 by Materials Project

description: NaSbCl6 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (2.90 Å) and four longer (3.34 Å) Na–Cl bond lengths. Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.41 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Na1+ and one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Sb5+ atom.
DOI: 10.17188/1202301
title: Materials Data on NaNbCl6 by Materials Project

description: NaNbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaNbCl6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.85–3.03 Å. Nb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Nb–Cl bond distances ranging from 2.30–2.51 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one Nb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one Nb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one Nb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom.
DOI: 10.17188/1202302
title: Materials Data on NaTaCl6 by Materials Project

description: NaTaCl6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaTaCl6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.85–3.04 Å. Ta5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Ta–Cl bond distances ranging from 2.29–2.49 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one Ta5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ta5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one Ta5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom.
DOI: 10.17188/1202303
title: Materials Data on YbAu by Materials Project

description: AuYb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Yb–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1202305
title: Materials Data on TaClF8 by Materials Project

description: TaClF8 crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of two TaClF8 ribbons oriented in the (0, 1, 0) direction. Ta is bonded in an octahedral geometry to six F atoms. There are a spread of Ta–F bond distances ranging from 1.88–2.01 Å. Cl is bonded in a square co-planar geometry to four F atoms. There is two shorter (1.63 Å) and two longer (2.18 Å) Cl–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ta atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In the third F site, F is bonded in a single-bond geometry to one Ta atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to one Ta and one Cl atom.
DOI: 10.17188/1202307
title: Materials Data on FeSeCl7 by Materials Project

description: FeSeCl7 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one FeSeCl7 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four Cl1- atoms to form FeCl4 tetrahedra that share corners with three SeCl6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Fe–Cl bond distances ranging from 2.16–2.24 Å. In the second Fe3+ site, Fe3+ is bonded to four Cl1- atoms to form FeCl4 tetrahedra that share corners with three SeCl6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Fe–Cl bond distances ranging from 2.17–2.23 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded to six Cl1- atoms to form distorted SeCl6 octahedra that share corners with three FeCl4 tetrahedra. There are a spread of Se–Cl bond distances ranging from 2.18–2.97 Å. In the second Se4+ site, Se4+ is bonded to six Cl1- atoms to form distorted SeCl6 octahedra that share corners with three FeCl4 tetrahedra. There are a spread of Se–Cl bond distances ranging from 2.18–2.95 Å. There are fourteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the eleventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the twelfth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom. In the fourteenth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Fe3+ and one Se4+ atom.
DOI: 10.17188/1202308
title: Materials Data on InTe by Materials Project

description: InTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All In–Te bond lengths are 3.36 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent In2+ atoms.
DOI: 10.17188/1202309
title: Materials Data on AuSCl5 by Materials Project

description: AuSCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AuSCl5 clusters. Au1- is bonded in a rectangular see-saw-like geometry to one S6+ and three Cl1- atoms. The Au–S bond length is 2.38 Å. There are a spread of Au–Cl bond distances ranging from 2.30–2.34 Å. S6+ is bonded in a distorted trigonal non-coplanar geometry to one Au1- and two Cl1- atoms. There are one shorter (2.01 Å) and one longer (2.02 Å) S–Cl bond lengths. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1202328
title: Materials Data on BiClF8 by Materials Project

description: BiClF8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one BiClF8 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.12 Å. In the second Bi site, Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.12 Å. Cl is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Cl–F bond distances ranging from 1.62–2.18 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Bi atom. In the second F site, F is bonded in a single-bond geometry to one Bi atom. In the third F site, F is bonded in a single-bond geometry to one Cl atom. In the fourth F site, F is bonded in a single-bond geometry to one Cl atom. In the fifth F site, F is bonded in a single-bond geometry to one Bi atom. In the sixth F site, F is bonded in a single-bond geometry to one Bi atom. In the seventh F site, F is bonded in a bent 150 degrees geometry to one Bi and one Cl atom. In the eighth F site, F is bonded in a distorted bent 150 degrees geometry to one Bi and one Cl atom.
DOI: 10.17188/1202329
title: Materials Data on SiAg2O3 by Materials Project

description: Ag2SiO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.78 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.86 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and two equivalent Si4+ atoms.
DOI: 10.17188/1202330
title: Materials Data on KH9O5 by Materials Project

description: (K(H2O)3)2(H2O)2H2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules; four water molecules; and one K(H2O)3 sheet oriented in the (1, 0, 0) direction. In the K(H2O)3 sheet, K1+ is bonded in a 3-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.73–3.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms.
DOI: 10.17188/1202331
title: Materials Data on RbInI4 by Materials Project

description: RbInI4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Rb–I bond distances ranging from 3.78–4.13 Å. In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.76 Å) and three longer (2.77 Å) In–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Rb1+ and one In3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one In3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one In3+ atom.
DOI: 10.17188/1202332
title: Materials Data on TiF2 by Materials Project

description: TiF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Ti–F bond lengths are 2.25 Å. F1- is bonded to four equivalent Ti2+ atoms to form a mixture of edge and corner-sharing FTi4 tetrahedra.
DOI: 10.17188/1202333
title: Materials Data on LaNb7O19 by Materials Project

description: LaNb7O19 crystallizes in the trigonal P321 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 2.47–2.69 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (1.96 Å) and three longer (2.09 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.51 Å. In the third Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.05 Å. In the fourth Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.10 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three equivalent Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms.
DOI: 10.17188/1202334
title: Materials Data on Sr4(PPd)5 by Materials Project

description: Sr4(PdP)5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five Pd and seven P atoms to form a mixture of edge and face-sharing SrP7Pd5 cuboctahedra. There are a spread of Sr–Pd bond distances ranging from 3.19–3.26 Å. There are a spread of Sr–P bond distances ranging from 3.23–3.27 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Pd and six P atoms. There are a spread of Sr–Pd bond distances ranging from 3.27–3.31 Å. There are a spread of Sr–P bond distances ranging from 3.24–3.28 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sr and three P atoms. There are two shorter (2.42 Å) and one longer (2.45 Å) Pd–P bond lengths. In the second Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Pd–P bond lengths. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Sr and three P atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Sr and three P atoms. There are one shorter (2.40 Å) and two longer (2.41 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Pd–P bond lengths. There are five inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Pd, and one P atom. The P–P bond length is 2.27 Å. In the second P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. The P–P bond length is 2.70 Å. In the third P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. In the fourth P site, P is bonded in a 9-coordinate geometry to six Sr, two equivalent Pd, and one P atom. In the fifth P site, P is bonded in a 9-coordinate geometry to six Sr and three Pd atoms.