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TbSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to four equivalent Se atoms to form corner-sharing TbSe4 tetrahedra. All Tb–Se bond lengths are 2.79 Å. Se is bonded to four equivalent Tb atoms to form corner-sharing SeTb4 tetrahedra.
TlSe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se1- atoms. All Tl–Se bond lengths are 3.25 Å. Se1- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
Si is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si is bonded to twelve equivalent Si atoms to form a mixture of face, edge, and corner-sharing SiSi12 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.75 Å) Si–Si bond lengths.
LaSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing LaSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Sb bond lengths are 3.28 Å. Sb3- is bonded to six equivalent La3+ atoms to form a mixture of edge and corner-sharing SbLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
YbSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Yb–Si bond distances ranging from 3.08–3.16 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Yb and two equivalent Si atoms. Both Si–Si bond lengths are 2.44 Å.
SrTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Sr–Te bond lengths are 3.54 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Sr2+ atoms.
Te is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Te is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.20 Å.
TmTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Te atoms to form a mixture of distorted edge and corner-sharing TmTe6 pentagonal pyramids. All Tm–Te bond lengths are 3.07 Å. Te is bonded to six equivalent Tm atoms to form a mixture of edge, face, and corner-sharing TeTm6 octahedra. The corner-sharing octahedral tilt angles are 45°.
Dy is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Dy atoms to form a mixture of edge, face, and corner-sharing DyDy12 cuboctahedra. There are six shorter (3.53 Å) and six longer (3.57 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to twelve Dy atoms to form a mixture of edge, face, and corner-sharing DyDy12 cuboctahedra. There are three shorter (3.52 Å) and six longer (3.57 Å) Dy–Dy bond lengths. In the third Dy site, Dy is bonded to twelve Dy atoms to form a mixture of edge, face, and corner-sharing DyDy12 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.52–3.57 Å. In the fourth Dy site, Dy is bonded to twelve Dy atoms to form a mixture of edge, face, and corner-sharing DyDy12 cuboctahedra. All Dy–Dy bond lengths are 3.57 Å. In the fifth Dy site, Dy is bonded to twelve Dy atoms to form a mixture of edge, face, and corner-sharing DyDy12 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.52–3.57 Å.
Tm is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Tm atoms to form a mixture of face, edge, and corner-sharing TmTm12 cuboctahedra. All Tm–Tm bond lengths are 3.49 Å.
Tm is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Tm atoms. All Tm–Tm bond lengths are 3.41 Å.
K2CO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to six equivalent O2- atoms to form face-sharing KO6 octahedra. All K–O bond lengths are 2.71 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to four K1+ and one C4+ atom.
Mn3AgN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ag and two equivalent N atoms. All Mn–Ag bond lengths are 2.83 Å. Both Mn–N bond lengths are 2.00 Å. Ag is bonded to twelve equivalent Mn atoms to form AgMn12 cuboctahedra that share corners with twelve equivalent AgMn12 cuboctahedra, faces with six equivalent AgMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AgMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
SrAgP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Ag1+ and six equivalent P3- atoms to form a mixture of face and edge-sharing SrAg6P6 cuboctahedra. All Sr–Ag bond lengths are 3.31 Å. All Sr–P bond lengths are 3.31 Å. Ag1+ is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent P3- atoms. All Ag–P bond lengths are 2.56 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent Ag1+ atoms.
YbAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded to eight equivalent Si4- atoms to form YbSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent YbSi8 hexagonal bipyramids. All Yb–Si bond lengths are 3.23 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent YbSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.28 Å.
Ba3Al2Ge2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Ge atoms. Both Ba–Al bond lengths are 3.53 Å. There are four shorter (3.52 Å) and one longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded to eight equivalent Al and four equivalent Ge atoms to form a mixture of edge and face-sharing BaAl8Ge4 cuboctahedra. All Ba–Al bond lengths are 3.62 Å. All Ba–Ge bond lengths are 3.76 Å. Al is bonded in a 2-coordinate geometry to six Ba, one Al, and two equivalent Ge atoms. The Al–Al bond length is 2.61 Å. Both Al–Ge bond lengths are 2.61 Å. Ge is bonded in a 2-coordinate geometry to seven Ba and two equivalent Al atoms.
Ca3(AlGe)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to eight equivalent Al and four equivalent Ge atoms to form a mixture of edge and face-sharing CaAl8Ge4 cuboctahedra. All Ca–Al bond lengths are 3.33 Å. All Ca–Ge bond lengths are 3.56 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Ge atoms. Both Ca–Al bond lengths are 3.17 Å. There are one shorter (3.14 Å) and four longer (3.16 Å) Ca–Ge bond lengths. Al is bonded in a 2-coordinate geometry to six Ca, one Al, and two equivalent Ge atoms. The Al–Al bond length is 2.54 Å. Both Al–Ge bond lengths are 2.53 Å. Ge is bonded in a 7-coordinate geometry to seven Ca and two equivalent Al atoms.
Sr3(AlGe)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Ge atoms. Both Sr–Al bond lengths are 3.34 Å. There are four shorter (3.34 Å) and one longer (3.38 Å) Sr–Ge bond lengths. In the second Sr site, Sr is bonded to eight equivalent Al and four equivalent Ge atoms to form a mixture of edge and face-sharing SrAl8Ge4 cuboctahedra. All Sr–Al bond lengths are 3.48 Å. All Sr–Ge bond lengths are 3.66 Å. Al is bonded in a 2-coordinate geometry to six Sr, one Al, and two equivalent Ge atoms. The Al–Al bond length is 2.58 Å. Both Al–Ge bond lengths are 2.57 Å. Ge is bonded in a 2-coordinate geometry to seven Sr and two equivalent Al atoms.