cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313265
title: Materials Data on Au2S by Materials Project

description: Au2S is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.32 Å. S2- is bonded to four equivalent Au1+ atoms to form corner-sharing SAu4 tetrahedra.
DOI: 10.17188/1313266
title: Materials Data on LiAg2Ge by Materials Project

description: LiAg2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Li–Ag bond lengths are 2.79 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Ag–Ge bond lengths are 2.79 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1313267
title: Materials Data on Ba(NiP)2 by Materials Project

description: BaNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ba–P bond lengths are 3.37 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.25 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Ni2+ atoms.
DOI: 10.17188/1313268
title: Materials Data on KNO3 by Materials Project

description: KNO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.23 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one N5+ atom.
DOI: 10.17188/1313269
title: Materials Data on BaSi4O9 by Materials Project

description: BaSi4O9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are six shorter (2.80 Å) and six longer (3.32 Å) Ba–O bond lengths. 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 SiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to six equivalent O2- atoms to form corner-sharing SiO6 octahedra. All Si–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1313270
title: Materials Data on Mg(AlSe2)2 by Materials Project

description: Mg(AlSe2)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Mg(AlSe2)2 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Se2- atoms to form MgSe6 octahedra that share corners with six equivalent AlSe4 tetrahedra and edges with six equivalent MgSe6 octahedra. All Mg–Se bond lengths are 2.68 Å. Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with three equivalent MgSe6 octahedra and corners with six equivalent AlSe4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.31 Å) and three longer (2.51 Å) Al–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Mg2+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing SeMg3Al trigonal pyramids. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Al3+ atoms.
DOI: 10.17188/1313271
title: Materials Data on KAlSiO4 by Materials Project

description: KAlSiO4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.98–3.03 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.76 Å) Al–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is one shorter (1.63 Å) and three longer (1.64 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1313272
title: Materials Data on TcS2 by Materials Project

description: TcS2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one TcS2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Tc4+ sites. In the first Tc4+ site, Tc4+ is bonded to six S2- atoms to form edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.34–2.47 Å. In the second Tc4+ site, Tc4+ is bonded to six S2- atoms to form distorted edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.31–2.52 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Tc4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms.
DOI: 10.17188/1313273
title: Materials Data on Zr9V4S by Materials Project

description: Zr9V4S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted single-bond geometry to four V and one S atom. There are a spread of Zr–V bond distances ranging from 2.92–3.06 Å. The Zr–S bond length is 2.67 Å. In the second Zr site, Zr is bonded in a distorted T-shaped geometry to two equivalent V and one S atom. Both Zr–V bond lengths are 2.98 Å. The Zr–S bond length is 3.13 Å. There are two inequivalent V sites. In the first V site, V is bonded to six equivalent Zr and six equivalent V atoms to form face-sharing VZr6V6 cuboctahedra. All V–V bond lengths are 2.64 Å. In the second V site, V is bonded to eight Zr and four V atoms to form VZr8V4 cuboctahedra that share corners with four equivalent VZr8V4 cuboctahedra and faces with eight VZr6V6 cuboctahedra. Both V–V bond lengths are 2.70 Å. S is bonded in a 6-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1313274
title: Materials Data on K2AlF5 by Materials Project

description: K2AlF5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are eight shorter (2.86 Å) and two longer (3.02 Å) K–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.81 Å) and two longer (1.88 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a linear geometry to four equivalent K1+ and two equivalent Al3+ atoms.
DOI: 10.17188/1313275
title: Materials Data on USiAu by Materials Project

description: UAuSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U5+ is bonded to six equivalent Au1- and six equivalent Si4- atoms to form a mixture of edge and face-sharing USi6Au6 cuboctahedra. All U–Au bond lengths are 3.16 Å. All U–Si bond lengths are 3.16 Å. Au1- is bonded in a distorted trigonal planar geometry to six equivalent U5+ and three equivalent Si4- atoms. All Au–Si bond lengths are 2.48 Å. Si4- is bonded in a distorted trigonal planar geometry to six equivalent U5+ and three equivalent Au1- atoms.
DOI: 10.17188/1313276
title: Materials Data on SmOF by Materials Project

description: SmOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sm–O bond lengths are 2.34 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Sm–F bond lengths. O2- is bonded to four equivalent Sm3+ atoms to form distorted OSm4 tetrahedra that share corners with six equivalent OSm4 tetrahedra, corners with ten equivalent FSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra. F1- is bonded to four equivalent Sm3+ atoms to form distorted FSm4 tetrahedra that share corners with six equivalent FSm4 tetrahedra, corners with ten equivalent OSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra.
DOI: 10.17188/1313277
title: Materials Data on NaSmTiO4 by Materials Project

description: NaSmTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent O2- atoms to form a mixture of distorted corner and edge-sharing NaO5 square pyramids. There are one shorter (2.32 Å) and four longer (2.65 Å) Na–O bond lengths. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.69 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Sm3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to five equivalent Na1+ and one Ti4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 7°. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sm3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1313278
title: Materials Data on CoPt by Materials Project

description: CoPt is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Co–Pt bond lengths are 2.67 Å. Pt2- is bonded to eight equivalent Co2+ and four equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtCo8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.
DOI: 10.17188/1313279
title: Materials Data on KAg2SbS4 by Materials Project

description: KAg2SbS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.20 Å) and four longer (3.76 Å) K–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent SbS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Sb–S bond lengths are 2.38 Å. S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Sb5+ atom.
DOI: 10.17188/1313280
title: Materials Data on Sn by Materials Project

description: Sn is Clathrate structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four Sn atoms to form corner-sharing SnSn4 tetrahedra. There are a spread of Sn–Sn bond distances ranging from 2.86–2.90 Å. In the second Sn site, Sn is bonded to four equivalent Sn atoms to form corner-sharing SnSn4 tetrahedra. In the third Sn site, Sn is bonded to four Sn atoms to form corner-sharing SnSn4 tetrahedra. The Sn–Sn bond length is 2.85 Å.
DOI: 10.17188/1313281
title: Materials Data on Cs by Materials Project

description: Cs crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Cs atoms. There are two shorter (4.91 Å) and four longer (5.49 Å) Cs–Cs bond lengths. In the second Cs site, Cs is bonded to twelve equivalent Cs atoms to form a mixture of edge and face-sharing CsCs12 cuboctahedra.
DOI: 10.17188/1313282
title: Materials Data on Yb2Cu(GeO3)4 by Materials Project

description: CuYb2Ge4O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with six GeO4 tetrahedra, edges with two equivalent YbO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.31–2.52 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (1.87 Å) Cu–O bond length. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent YbO7 pentagonal bipyramids and corners with two equivalent GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent YbO7 pentagonal bipyramids, corners with two equivalent GeO4 tetrahedra, and an edgeedge with one YbO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.72–1.81 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cu2+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Cu2+, and one Ge4+ atom.
DOI: 10.17188/1313283
title: Materials Data on Pr2C(NO)2 by Materials Project

description: Pr2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Pr–N bond lengths are 2.71 Å. There are three shorter (2.38 Å) and one longer (2.40 Å) Pr–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Pr3+ and one C4+ atom. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.
DOI: 10.17188/1313284
title: Materials Data on Nd2C(NO)2 by Materials Project

description: Nd2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Nd–N bond lengths are 2.68 Å. There are three shorter (2.35 Å) and one longer (2.38 Å) Nd–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Nd3+ and one C4+ atom. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.
DOI: 10.17188/1313285
title: Materials Data on Sm2C(NO)2 by Materials Project

description: Sm2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Sm–N bond lengths are 2.65 Å. There are three shorter (2.31 Å) and one longer (2.35 Å) Sm–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one C4+ atom. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.
DOI: 10.17188/1313286
title: Materials Data on Sr by Materials Project

description: Sr is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. All Sr–Sr bond lengths are 4.12 Å.
DOI: 10.17188/1313287
title: Materials Data on NaZn13 by Materials Project

description: NaZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All Na–Zn bond lengths are 3.57 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Na and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.95 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.
DOI: 10.17188/1313288
title: Materials Data on Cd2TeCl2O3 by Materials Project

description: Cd2TeO3Cl2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of two Cd2TeO3Cl2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four O2- and one Cl1- atom to form distorted CdClO4 square pyramids that share corners with two equivalent CdClO4 square pyramids and corners with three equivalent CdCl2O2 trigonal pyramids. There are a spread of Cd–O bond distances ranging from 2.24–2.36 Å. The Cd–Cl bond length is 2.61 Å. In the second Cd2+ site, Cd2+ is bonded to two O2- and two Cl1- atoms to form distorted corner-sharing CdCl2O2 trigonal pyramids. There are one shorter (2.21 Å) and one longer (2.27 Å) Cd–O bond lengths. There are one shorter (2.45 Å) and one longer (2.49 Å) Cd–Cl bond lengths. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.90 Å) and one longer (1.92 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Cd2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one Te4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms.
DOI: 10.17188/1313289
title: Materials Data on BiI4 by Materials Project

description: BiI4 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two BiI4 ribbons oriented in the (1, 0, 0) direction. Bi is bonded to six I atoms to form edge-sharing BiI6 octahedra. There are two shorter (3.11 Å) and four longer (3.13 Å) Bi–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted single-bond geometry to one Bi atom. In the second I site, I is bonded in an L-shaped geometry to two equivalent Bi atoms.
DOI: 10.17188/1313290
title: Materials Data on BaDyCuTe3 by Materials Project

description: BaDyCuTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.50–3.95 Å. Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share corners with two equivalent DyTe6 octahedra, edges with two equivalent DyTe6 octahedra, and edges with four equivalent CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (3.05 Å) and four longer (3.10 Å) Dy–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with two equivalent CuTe4 tetrahedra and edges with four equivalent DyTe6 octahedra. There are two shorter (2.66 Å) and two longer (2.70 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, two equivalent Dy3+, and one Cu1+ atom. In the second Te2- site, Te2- is bonded to two equivalent Ba2+, two equivalent Dy3+, and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeBa2Dy2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313291
title: Materials Data on K2PAuS4 by Materials Project

description: K2AuPS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.46 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.54 Å. Au1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.10 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and one P5+ atom. In the second S2- site, S2- is bonded to four K1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing SK4P trigonal bipyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one Au1+, and one P5+ atom.
DOI: 10.17188/1313293
title: Materials Data on CeRh2 by Materials Project

description: CeRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Ce–Rh bond lengths are 3.15 Å. Rh is bonded to six equivalent Ce and six equivalent Rh atoms to form a mixture of edge, face, and corner-sharing RhCe6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.68 Å.