cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1186875
title: Materials Data on YSi3Ni by Materials Project

description: YNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Y–Si bond distances ranging from 2.98–3.10 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are three shorter (2.27 Å) and two longer (2.28 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.79 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Y3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1186876
title: Materials Data on KMnTe2 by Materials Project

description: KMnTe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All K–Te bond lengths are 3.70 Å. Mn3+ is bonded to four equivalent Te2- atoms to form corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.64 Å. Te2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn3+ atoms.
DOI: 10.17188/1186877
title: Materials Data on RbMnTe2 by Materials Project

description: RbMnTe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Rb–Te bond lengths are 3.82 Å. Mn3+ is bonded to four equivalent Te2- atoms to form corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.65 Å. Te2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Mn3+ atoms.
DOI: 10.17188/1186878
title: Materials Data on LaCuTeS by Materials Project

description: LaCuTeS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to four equivalent Te2- and four equivalent S2- atoms. There are a spread of La–Te bond distances ranging from 3.27–3.63 Å. There are a spread of La–S bond distances ranging from 2.88–3.03 Å. Cu1+ is bonded to three equivalent Te2- and one S2- atom to form a mixture of distorted edge and corner-sharing CuTe3S tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.65–2.73 Å. The Cu–S bond length is 2.31 Å. Te2- is bonded in a 5-coordinate geometry to four equivalent La3+ and three equivalent Cu1+ atoms. S2- is bonded to four equivalent La3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SLa4Cu trigonal bipyramids.
DOI: 10.17188/1186879
title: Materials Data on Ca(BC)2 by Materials Project

description: CaB2C2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Ca–C bond lengths are 2.74 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.53 Å) and two longer (1.60 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three equivalent B3+ atoms.
DOI: 10.17188/1186880
title: Materials Data on BaF2 by Materials Project

description: BaF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Ba–F bond lengths are 2.72 Å. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.
DOI: 10.17188/1186881
title: Materials Data on BaC2 by Materials Project

description: BaC2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent C1- atoms to form distorted edge-sharing BaC8 hexagonal bipyramids. There are a spread of Ba–C bond distances ranging from 2.98–3.24 Å. C1- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one C1- atom. The C–C bond length is 1.26 Å.
DOI: 10.15468/rf76ac
title: Taxonomic notes on Alpheus inopinatus Holthuis & Gottlieb, 1958 and Alpheus cf lobidens De Haan, 1849 from Kuwait (Malacostraca: Decapoda: Alpheidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Anker, Arthur, Al-Kandari, Manal, Grave, Sammy De (2020): Taxonomic notes on Alpheus inopinatus Holthuis & Gottlieb, 1958 and Alpheus cf lobidens De Haan, 1849 from Kuwait (Malacostraca: Decapoda: Alpheidae). Zootaxa 4851 (1): 189-197, DOI: https://doi.org/10.11646/zootaxa.4851.1.10
DOI: 10.17188/1186882
title: Materials Data on Sm(SiPt)2 by Materials Project

description: SmPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.21 Å) and four longer (3.24 Å) Sm–Si bond lengths. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.42 Å) and four longer (2.44 Å) Pt–Si bond lengths. In the second Pt3+ site, Pt3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.50 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Pt3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Pt3+ atoms.
DOI: 10.17188/1186883
title: Materials Data on Ca4PdO6 by Materials Project

description: Ca4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ca–O bond lengths are 2.34 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.75 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. O2- is bonded in a 6-coordinate geometry to five Ca2+ and one Pd4+ atom.
DOI: 10.17188/1186884
title: Materials Data on Hf by Materials Project

description: Hf is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Hf atoms to form a mixture of face, edge, and corner-sharing HfHf12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.20 Å) Hf–Hf bond lengths.
DOI: 10.17188/1186948
title: Materials Data on ZrMoP by Materials Project

description: ZrMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Zr–Mo bond lengths. There are four shorter (2.73 Å) and one longer (2.82 Å) Zr–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four P atoms. There are two shorter (2.46 Å) and two longer (2.65 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Mo atoms.
DOI: 10.17188/1186949
title: Materials Data on Sr2ScIrO6 by Materials Project

description: Sr2ScIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.18 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. All Sc–O bond lengths are 2.09 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. All Ir–O bond lengths are 1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Ir5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Ir5+ atom.
DOI: 10.17188/1186950
title: Materials Data on Ba2ScIrO6 by Materials Project

description: Ba2ScIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent IrO6 octahedra. All Ba–O bond lengths are 2.91 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.12 Å. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Sc3+, and one Ir5+ atom.
DOI: 10.17188/1186951
title: Materials Data on Ho2Ge2Rh by Materials Project

description: Ho2RhGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to two equivalent Rh and six Ge atoms. Both Ho–Rh bond lengths are 3.05 Å. There are a spread of Ho–Ge bond distances ranging from 2.99–3.09 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to four equivalent Rh and seven Ge atoms. There are a spread of Ho–Rh bond distances ranging from 3.01–3.25 Å. There are a spread of Ho–Ge bond distances ranging from 2.98–3.30 Å. Rh is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.72 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Rh, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.69 Å.
DOI: 10.17188/1186952
title: Materials Data on GdCd by Materials Project

description: GdCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Gd–Cd bond lengths are 3.27 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1186953
title: Materials Data on ZrVGe by Materials Project

description: ZrVGe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Ge atoms. All Zr–V bond lengths are 3.18 Å. There are four shorter (2.75 Å) and one longer (2.87 Å) Zr–Ge bond lengths. V is bonded to four equivalent Zr, four equivalent V, and four equivalent Ge atoms to form a mixture of distorted face and corner-sharing VZr4V4Ge4 cuboctahedra. All V–V bond lengths are 2.65 Å. All V–Ge bond lengths are 2.63 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent V atoms.
DOI: 10.17188/1186954
title: Materials Data on HfVGe by Materials Project

description: HfVGe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Ge atoms. All Hf–V bond lengths are 3.16 Å. There are four shorter (2.73 Å) and one longer (2.82 Å) Hf–Ge bond lengths. V is bonded to four equivalent Hf, four equivalent V, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing VHf4V4Ge4 cuboctahedra. All V–V bond lengths are 2.63 Å. All V–Ge bond lengths are 2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent V atoms.
DOI: 10.17188/1186955
title: Materials Data on Yb(ZnAs)2 by Materials Project

description: YbZn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent As3- atoms to form YbAs6 octahedra that share corners with twelve equivalent ZnAs4 tetrahedra, edges with six equivalent YbAs6 octahedra, and edges with six equivalent ZnAs4 tetrahedra. All Yb–As bond lengths are 3.00 Å. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent YbAs6 octahedra, corners with six equivalent ZnAs4 tetrahedra, edges with three equivalent YbAs6 octahedra, and edges with three equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are three shorter (2.54 Å) and one longer (2.64 Å) Zn–As bond lengths. As3- is bonded to three equivalent Yb2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing AsYb3Zn4 pentagonal bipyramids.
DOI: 10.17188/1186956
title: Materials Data on CeCdAsO by Materials Project

description: CeOCdAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ce–As bond lengths are 3.34 Å. All Ce–O bond lengths are 2.38 Å. Cd2+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing CdAs4 tetrahedra. All Cd–As bond lengths are 2.81 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Cd2+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1186957
title: Materials Data on Tb2Co3Si5 by Materials Project

description: Tb2Co3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Tb–Si bond distances ranging from 2.87–3.16 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.27–2.37 Å. In the second Co2+ site, Co2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.34–2.68 Å. There are four inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Tb3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.51 Å) and two longer (2.76 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Tb3+ and four equivalent Co2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Tb3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.49 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Tb3+, three Co2+, and two Si+2.40- atoms.
DOI: 10.17188/1186958
title: Materials Data on Ta2B by Materials Project

description: Ta2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ta is bonded in a 4-coordinate geometry to four equivalent B atoms. All Ta–B bond lengths are 2.48 Å. B is bonded in a 8-coordinate geometry to eight equivalent Ta atoms.
DOI: 10.17188/1186959
title: Materials Data on La2MgRhO6 by Materials Project

description: La2MgRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are two shorter (2.07 Å) and four longer (2.09 Å) Mg–O bond lengths. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.80 Å. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. There are two shorter (2.03 Å) and four longer (2.04 Å) Rh–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent La3+, and one Rh4+ atom to form distorted corner-sharing OLa2MgRh tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Rh4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Rh4+ atom.
DOI: 10.17188/1186960
title: Materials Data on La2ZnRhO6 by Materials Project

description: La2ZnRhO6 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 2.40–2.80 Å. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of Rh–O bond distances ranging from 2.03–2.05 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of Zn–O bond distances ranging from 2.09–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+, one Rh4+, and one Zn2+ atom to form distorted corner-sharing OLa2ZnRh tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Rh4+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Rh4+, and one Zn2+ atom.
DOI: 10.17188/1186961
title: Materials Data on BaHfN2 by Materials Project

description: BaHfN2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form BaN5 square pyramids that share corners with four equivalent BaN5 square pyramids, corners with five equivalent HfN5 trigonal bipyramids, and edges with eight equivalent BaN5 square pyramids. There are one shorter (2.82 Å) and four longer (2.95 Å) Ba–N bond lengths. Hf4+ is bonded to five N3- atoms to form distorted HfN5 trigonal bipyramids that share corners with five equivalent BaN5 square pyramids, corners with four equivalent HfN5 trigonal bipyramids, and edges with four equivalent HfN5 trigonal bipyramids. There are one shorter (1.99 Å) and four longer (2.20 Å) Hf–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five equivalent Ba2+ and one Hf4+ atom to form distorted NBa5Hf octahedra that share corners with four equivalent NBa5Hf octahedra, corners with four equivalent NHf4 trigonal pyramids, and edges with eight equivalent NBa5Hf octahedra. The corner-sharing octahedral tilt angles are 9°. In the second N3- site, N3- is bonded to four equivalent Hf4+ atoms to form distorted NHf4 trigonal pyramids that share corners with four equivalent NBa5Hf octahedra, corners with four equivalent NHf4 trigonal pyramids, and edges with four equivalent NHf4 trigonal pyramids. The corner-sharing octahedral tilt angles are 71°.
DOI: 10.17188/1186962
title: Materials Data on Zn(ReO4)2 by Materials Project

description: Zn(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Zn(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Zn–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Re7+ and one Zn2+ atom.
DOI: 10.17188/1186963
title: Materials Data on LaCrS3 by Materials Project

description: LaCrS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.97–3.29 Å. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.38–2.48 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent La3+ and three equivalent Cr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Cr3+ atoms. In the third S2- site, S2- is bonded to four equivalent La3+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing SLa4Cr square pyramids.
DOI: 10.17188/1186964
title: Materials Data on BeNi by Materials Project

description: NiBe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Be–Ni bond lengths are 2.26 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Be atoms.
DOI: 10.17188/1186965
title: Materials Data on Pr(ZnP)3 by Materials Project

description: PrZn3P3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent P3- atoms to form PrP6 octahedra that share corners with six equivalent ZnP4 tetrahedra, edges with six equivalent PrP6 octahedra, and edges with six equivalent ZnP4 tetrahedra. All Pr–P bond lengths are 2.95 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.35 Å. In the second Zn2+ site, Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with three equivalent PrP6 octahedra, corners with seven equivalent ZnP4 tetrahedra, and edges with three equivalent PrP6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are one shorter (2.42 Å) and three longer (2.49 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to five Zn2+ atoms to form PZn5 trigonal bipyramids that share corners with six equivalent PPr3Zn3 octahedra and corners with six equivalent PZn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. In the second P3- site, P3- is bonded to three equivalent Pr3+ and three equivalent Zn2+ atoms to form distorted PPr3Zn3 octahedra that share corners with three equivalent PPr3Zn3 octahedra, corners with three equivalent PZn5 trigonal bipyramids, and edges with nine equivalent PPr3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.