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Hf2MoNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MoNi ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mo and one Ni atom. The Hf–Mo bond length is 2.40 Å. The Hf–Ni bond length is 2.39 Å. Mo is bonded in a linear geometry to two equivalent Hf atoms. Ni is bonded in a linear geometry to two equivalent Hf atoms.
Hf2NbIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2NbIn ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Nb and one In atom. The Hf–Nb bond length is 2.37 Å. The Hf–In bond length is 2.95 Å. Nb is bonded in a linear geometry to two equivalent Hf atoms. In is bonded in a linear geometry to two equivalent Hf atoms.
HfCoP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Co and five equivalent P atoms. There are a spread of Hf–Co bond distances ranging from 2.76–2.96 Å. There are three shorter (2.64 Å) and two longer (2.67 Å) Hf–P bond lengths. Co is bonded in a 4-coordinate geometry to six equivalent Hf and four equivalent P atoms. There are a spread of Co–P bond distances ranging from 2.29–2.43 Å. P is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.
HfTiMo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Mo atoms. All Hf–Ti bond lengths are 3.25 Å. All Hf–Mo bond lengths are 3.12 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Mo atoms. All Ti–Mo bond lengths are 3.11 Å. Mo is bonded to three equivalent Hf, three equivalent Ti, and six equivalent Mo atoms to form a mixture of edge, face, and corner-sharing MoHf3Ti3Mo6 cuboctahedra. There are three shorter (2.65 Å) and three longer (2.66 Å) Mo–Mo bond lengths.
NaMg30HfO31 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Na is bonded to five O atoms to form NaO5 square pyramids that share corners with four equivalent MgO6 octahedra, corners with five MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (2.28 Å) and one longer (2.30 Å) Na–O bond lengths. There are ten inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with two equivalent HfO6 octahedra, corners with two equivalent NaO5 square pyramids, edges with ten MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 2.03–2.20 Å. In the second Mg site, Mg is bonded to five O atoms to form MgO5 square pyramids that share corners with four equivalent MgO6 octahedra, a cornercorner with one NaO5 square pyramid, corners with four equivalent MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are one shorter (2.06 Å) and four longer (2.19 Å) Mg–O bond lengths. In the third Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, edges with ten MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 2.12–2.17 Å. In the fourth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent HfO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 2.14–2.16 Å. In the fifth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one HfO6 octahedra, edges with eight MgO6 octahedra, an edgeedge with one NaO5 square pyramid, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Mg–O bond distances ranging from 2.09–2.23 Å. In the sixth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with nine MgO6 octahedra, and edges with three MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 2–5°. There are a spread of Mg–O bond distances ranging from 2.14–2.17 Å. In the seventh Mg site, Mg is bonded to five O atoms to form MgO5 square pyramids that share corners with four MgO6 octahedra, a cornercorner with one NaO5 square pyramid, corners with four MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Mg–O bond distances ranging from 2.14–2.18 Å. In the eighth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, an edgeedge with one HfO6 octahedra, edges with nine MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 2–5°. There are a spread of Mg–O bond distances ranging from 2.10–2.20 Å. In the ninth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, edges with ten MgO6 octahedra, an edgeedge with one NaO5 square pyramid, and an edgeedge with one MgO5 square pyramid. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Mg–O bond distances ranging from 2.13–2.19 Å. In the tenth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one HfO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. There are a spread of Mg–O bond distances ranging from 2.10–2.21 Å. Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six MgO6 octahedra and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Hf–O bond distances ranging from 2.11–2.14 Å. There are eleven inequivalent O sites. In the first O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with four OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O site, O is bonded to five Mg and one Hf atom to form OHfMg5 octahedra that share corners with six OMg6 octahedra and edges with twelve OHfMg5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the third O site, O is bonded to one Na and five Mg atoms to form a mixture of edge and corner-sharing ONaMg5 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the fifth O site, O is bonded to five Mg and one Hf atom to form a mixture of edge and corner-sharing OHfMg5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the sixth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. In the seventh O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg6 octahedra and edges with twelve ONaMg5 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. In the eighth O site, O is bonded to one Na and five Mg atoms to form ONaMg5 octahedra that share corners with six OHfMg5 octahedra and edges with eleven OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the ninth O site, O is bonded to five Mg and one Hf atom to form OHfMg5 octahedra that share corners with six OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the tenth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the eleventh O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
Hf2CrIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2CrIr ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Cr and one Ir atom. The Hf–Cr bond length is 2.66 Å. The Hf–Ir bond length is 2.33 Å. Cr is bonded in a linear geometry to two equivalent Hf atoms. Ir is bonded in a linear geometry to two equivalent Hf atoms.
HfBC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to six equivalent B and six equivalent C atoms to form a mixture of face and edge-sharing HfB6C6 cuboctahedra. All Hf–B bond lengths are 2.54 Å. All Hf–C bond lengths are 2.54 Å. B is bonded in a trigonal planar geometry to six equivalent Hf and three equivalent C atoms. All B–C bond lengths are 1.70 Å. C is bonded in a distorted trigonal planar geometry to six equivalent Hf and three equivalent B atoms.
Hf4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Hf–Cu bond lengths are 2.79 Å. Both Hf–P bond lengths are 2.76 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.61 Å. P is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent P atoms. Both P–P bond lengths are 2.61 Å.
Hf2TcIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2TcIr ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Tc and one Ir atom. The Hf–Tc bond length is 2.37 Å. The Hf–Ir bond length is 2.43 Å. Tc is bonded in a linear geometry to two equivalent Hf atoms. Ir is bonded in a linear geometry to two equivalent Hf atoms.
Hf2VRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2VRh ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one V and one Rh atom. The Hf–V bond length is 2.25 Å. The Hf–Rh bond length is 2.31 Å. V is bonded in a linear geometry to two equivalent Hf atoms. Rh is bonded in a linear geometry to two equivalent Hf atoms.
HfCuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Cu and five equivalent Ge atoms. There are a spread of Hf–Cu bond distances ranging from 2.90–3.02 Å. There are a spread of Hf–Ge bond distances ranging from 2.79–2.85 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.44–2.57 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Cu atoms.
Hf2TcZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2TcZn ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Tc and one Zn atom. The Hf–Tc bond length is 2.23 Å. The Hf–Zn bond length is 2.96 Å. Tc is bonded in a linear geometry to two equivalent Hf atoms. Zn is bonded in a linear geometry to two equivalent Hf atoms.
Hf4NiP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent P atoms. Both Hf–Ni bond lengths are 2.73 Å. Both Hf–P bond lengths are 2.76 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.62 Å. P is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent P atoms. Both P–P bond lengths are 2.62 Å.
HfCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Si atoms. There are a spread of Hf–Co bond distances ranging from 2.77–3.04 Å. There are four shorter (2.73 Å) and one longer (2.74 Å) Hf–Si bond lengths. Co is bonded in a 12-coordinate geometry to six equivalent Hf and four equivalent Si atoms. There are a spread of Co–Si bond distances ranging from 2.33–2.46 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.
Hf4AlSi is Khatyrkite-derived structured and crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to two equivalent Al and two equivalent Si atoms. Both Hf–Al bond lengths are 2.85 Å. Both Hf–Si bond lengths are 2.85 Å. Al is bonded in a distorted q6 geometry to eight equivalent Hf and two equivalent Si atoms. Both Al–Si bond lengths are 2.62 Å. Si is bonded in a distorted q6 geometry to eight equivalent Hf and two equivalent Al atoms.
Hf2SiH is I4/mcm-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Hf is bonded in a distorted L-shaped geometry to four equivalent Si and two equivalent H atoms. All Hf–Si bond lengths are 2.79 Å. Both Hf–H bond lengths are 2.03 Å. Si is bonded in a 10-coordinate geometry to eight equivalent Hf and two equivalent Si atoms. Both Si–Si bond lengths are 2.72 Å. H is bonded to four equivalent Hf atoms to form edge-sharing HHf4 tetrahedra.
HfW4Si is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent W and four equivalent Si atoms. All Hf–W bond lengths are 3.12 Å. All Hf–Si bond lengths are 3.26 Å. W is bonded to three equivalent Hf, six equivalent W, and three equivalent Si atoms to form a mixture of corner, edge, and face-sharing WHf3Si3W6 cuboctahedra. There are three shorter (2.65 Å) and three longer (2.67 Å) W–W bond lengths. All W–Si bond lengths are 3.12 Å. Si is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent W atoms.
KMg30HfO31 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K is bonded to five O atoms to form KO5 square pyramids that share corners with four equivalent MgO6 octahedra, corners with five MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are four shorter (2.38 Å) and one longer (2.43 Å) K–O bond lengths. There are ten inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with two equivalent HfO6 octahedra, corners with two equivalent KO5 square pyramids, edges with ten MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 1.96–2.24 Å. In the second Mg site, Mg is bonded to five O atoms to form MgO5 square pyramids that share corners with four equivalent MgO6 octahedra, a cornercorner with one KO5 square pyramid, corners with four equivalent MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are one shorter (2.02 Å) and four longer (2.22 Å) Mg–O bond lengths. In the third Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, edges with ten MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mg–O bond distances ranging from 2.12–2.19 Å. In the fourth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent HfO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.15 Å) and two longer (2.18 Å) Mg–O bond lengths. In the fifth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one HfO6 octahedra, edges with eight MgO6 octahedra, an edgeedge with one KO5 square pyramid, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 3–14°. There are a spread of Mg–O bond distances ranging from 2.13–2.22 Å. In the sixth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with nine MgO6 octahedra, and edges with three MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Mg–O bond distances ranging from 2.15–2.18 Å. In the seventh Mg site, Mg is bonded to five O atoms to form MgO5 square pyramids that share corners with four MgO6 octahedra, a cornercorner with one KO5 square pyramid, corners with four MgO5 square pyramids, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are two shorter (2.13 Å) and three longer (2.19 Å) Mg–O bond lengths. In the eighth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, an edgeedge with one HfO6 octahedra, edges with nine MgO6 octahedra, and edges with two equivalent MgO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Mg–O bond distances ranging from 2.10–2.22 Å. In the ninth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four MgO6 octahedra, corners with two equivalent MgO5 square pyramids, edges with ten MgO6 octahedra, an edgeedge with one KO5 square pyramid, and an edgeedge with one MgO5 square pyramid. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Mg–O bond distances ranging from 2.13–2.18 Å. In the tenth Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, an edgeedge with one HfO6 octahedra, and edges with eleven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Mg–O bond distances ranging from 2.10–2.23 Å. Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six MgO6 octahedra and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.10 Å) and two longer (2.12 Å) Hf–O bond lengths. There are eleven inequivalent O sites. In the first O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with four OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O site, O is bonded to five Mg and one Hf atom to form OHfMg5 octahedra that share corners with six OMg6 octahedra and edges with twelve OHfMg5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the third O site, O is bonded to one K and five Mg atoms to form a mixture of edge and corner-sharing OKMg5 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the fifth O site, O is bonded to five Mg and one Hf atom to form a mixture of edge and corner-sharing OHfMg5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the sixth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. In the seventh O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OMg6 octahedra and edges with twelve OKMg5 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. In the eighth O site, O is bonded to one K and five Mg atoms to form OKMg5 octahedra that share corners with six OHfMg5 octahedra and edges with eleven OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the ninth O site, O is bonded to five Mg and one Hf atom to form OHfMg5 octahedra that share corners with six OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the tenth O site, O is bonded to six Mg atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the eleventh O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six OHfMg5 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.