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HfSn is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Sn atoms. There are a spread of Hf–Sn bond distances ranging from 2.94–3.13 Å. Sn is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.
HfNbP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to five equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.70–3.04 Å. Nb is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.54–2.70 Å. P is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Nb atoms.
HfCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Hf–Co bond lengths are 2.85 Å. Co is bonded to six equivalent Hf and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoHf6Co6 cuboctahedra. All Co–Co bond lengths are 2.43 Å.
HfMo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent Mo atoms. All Hf–Mo bond lengths are 3.14 Å. Mo is bonded to six equivalent Hf and six equivalent Mo atoms to form a mixture of edge, corner, and face-sharing MoHf6Mo6 cuboctahedra. All Mo–Mo bond lengths are 2.68 Å.
HfAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Al atoms. There are a spread of Hf–Al bond distances ranging from 2.88–3.02 Å. Al is bonded in a 9-coordinate geometry to seven equivalent Hf and two equivalent Al atoms. Both Al–Al bond lengths are 2.64 Å.
HfBe2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to three equivalent Be and six equivalent Hf atoms. All Be–Be bond lengths are 2.19 Å. All Be–Hf bond lengths are 2.70 Å. Hf is bonded to twelve equivalent Be atoms to form a mixture of edge and face-sharing HfBe12 cuboctahedra.
HfH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Hf–H bond lengths are 2.05 Å. H is bonded to four equivalent Hf atoms to form a mixture of edge and corner-sharing HHf4 tetrahedra.
HfRu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.81 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
HfN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded to six equivalent N atoms to form a mixture of edge and corner-sharing HfN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–N bond lengths are 2.27 Å. N is bonded to six equivalent Hf atoms to form a mixture of edge and corner-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Hf2Au crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hf2Au sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 12-coordinate geometry to four equivalent Au atoms. All Hf–Au bond lengths are 2.99 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
Hf2Ga is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Hf–Ga bond lengths are 2.87 Å. Ga is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å.
CuHf2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuHf2 sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 12-coordinate geometry to four equivalent Cu atoms. All Hf–Cu bond lengths are 2.85 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
HfNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Hf–Ni bond lengths are 2.87 Å. Ni is bonded to six equivalent Hf and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiHf6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.44 Å.
HfFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Hf–Fe bond lengths are 2.90 Å. Fe is bonded to six equivalent Hf and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å.
HfB is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded to six equivalent B atoms to form a mixture of edge and corner-sharing HfB6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–B bond lengths are 2.42 Å. B is bonded to six equivalent Hf atoms to form a mixture of edge and corner-sharing BHf6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Co2HfAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Hf–Co bond lengths are 2.61 Å. Co is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Co–Al bond lengths are 2.61 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.
Ba6Hf5S16 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.13–3.57 Å. In the second Ba2+ site, Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with eight BaS12 cuboctahedra, faces with five BaS12 cuboctahedra, and faces with eight HfS6 octahedra. There are a spread of Ba–S bond distances ranging from 3.46–3.59 Å. In the third Ba2+ site, Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with twelve BaS12 cuboctahedra, faces with six BaS12 cuboctahedra, and faces with eight HfS6 octahedra. There are a spread of Ba–S bond distances ranging from 3.52–3.56 Å. There are three inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with six HfS6 octahedra and faces with eight BaS12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Hf–S bond distances ranging from 2.49–2.53 Å. In the second Hf4+ site, Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with six HfS6 octahedra and faces with eight equivalent BaS12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.50 Å) and two longer (2.51 Å) Hf–S bond lengths. In the third Hf4+ site, Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with five HfS6 octahedra and faces with four equivalent BaS12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Hf–S bond distances ranging from 2.49–2.59 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Hf4+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one Hf4+ atom. In the third S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two Hf4+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four Ba2+ and two equivalent Hf4+ atoms. In the fifth S2- site, S2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Hf4+ atoms. In the sixth S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two Hf4+ atoms.
Ba5Hf4S13 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.13–3.57 Å. In the second Ba2+ site, Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with eight BaS12 cuboctahedra, faces with five BaS12 cuboctahedra, and faces with eight HfS6 octahedra. There are a spread of Ba–S bond distances ranging from 3.47–3.59 Å. In the third Ba2+ site, Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with twelve BaS12 cuboctahedra, faces with six BaS12 cuboctahedra, and faces with eight equivalent HfS6 octahedra. All Ba–S bond lengths are 3.54 Å. There are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with five HfS6 octahedra and faces with four equivalent BaS12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Hf–S bond distances ranging from 2.49–2.58 Å. In the second Hf4+ site, Hf4+ is bonded to six S2- atoms to form HfS6 octahedra that share corners with six HfS6 octahedra and faces with eight BaS12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are five shorter (2.50 Å) and one longer (2.53 Å) Hf–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Hf4+ atoms. All S–Ba bond lengths are 3.54 Å. Both S–Hf bond lengths are 2.53 Å. In the second S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two Hf4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Ba2+ and two equivalent Hf4+ atoms. In the fourth S2- site, S2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Hf4+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one Hf4+ atom. In the sixth S2- site, S2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Hf4+ atoms.