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Na3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.37 Å. N3- is bonded to six equivalent Na1+ atoms to form corner-sharing NNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
K3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both K–O bond lengths are 2.64 Å. All K–Br bond lengths are 3.73 Å. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent BrK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent K1+ atoms to form BrK12 cuboctahedra that share corners with twelve equivalent BrK12 cuboctahedra, faces with six equivalent BrK12 cuboctahedra, and faces with eight equivalent OK6 octahedra.
Li3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Li–O bond lengths are 2.00 Å. All Li–Br bond lengths are 2.83 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent BrLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Li1+ atoms to form BrLi12 cuboctahedra that share corners with twelve equivalent BrLi12 cuboctahedra, faces with six equivalent BrLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.
Na3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Na–O bond lengths are 2.27 Å. All Na–Cl bond lengths are 3.21 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent ClNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Na1+ atoms to form ClNa12 cuboctahedra that share corners with twelve equivalent ClNa12 cuboctahedra, faces with six equivalent ClNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.
Rb3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Rb–O bond lengths are 2.79 Å. All Rb–Br bond lengths are 3.94 Å. O2- is bonded to six equivalent Rb1+ atoms to form ORb6 octahedra that share corners with six equivalent ORb6 octahedra and faces with eight equivalent BrRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Rb1+ atoms to form BrRb12 cuboctahedra that share corners with twelve equivalent BrRb12 cuboctahedra, faces with six equivalent BrRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra.
Hg3TeO6 is Skutterudite-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.08–2.89 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.98 Å. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom.
Ag3SI is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted linear geometry to two equivalent S2- and four equivalent I1- atoms. Both Ag–S bond lengths are 2.50 Å. All Ag–I bond lengths are 3.54 Å. S2- is bonded to six equivalent Ag1+ atoms to form SAg6 octahedra that share corners with six equivalent SAg6 octahedra and faces with eight equivalent IAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded to twelve equivalent Ag1+ atoms to form IAg12 cuboctahedra that share corners with twelve equivalent IAg12 cuboctahedra, faces with six equivalent IAg12 cuboctahedra, and faces with eight equivalent SAg6 octahedra.
AuCl(PF3) crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuCl(PF3) clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.21 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a 4-coordinate geometry to one Au1- and three F1- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) P–F bond length. Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.
CNSOF5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four pentafluorosulfanyl isocyanate molecules. C4+ is bonded in a linear geometry to one N5+ and one O2- atom. The C–N bond length is 1.23 Å. The C–O bond length is 1.17 Å. N5+ is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.69 Å. S2- is bonded in an octahedral geometry to one N5+ and five F1- atoms. There are a spread of S–F bond distances ranging from 1.60–1.63 Å. O2- is bonded in a single-bond geometry to one C4+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one S2- atom.
Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 1.95 Å. All Li–Cl bond lengths are 2.76 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent ClLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Li1+ atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent ClLi12 cuboctahedra, faces with six equivalent ClLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.
Ca3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted linear geometry to four equivalent Au and two equivalent N atoms. All Ca–Au bond lengths are 3.43 Å. Both Ca–N bond lengths are 2.42 Å. Au is bonded to twelve equivalent Ca atoms to form AuCa12 cuboctahedra that share corners with twelve equivalent AuCa12 cuboctahedra, faces with six equivalent AuCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent AuCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.
Pd3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 2.04 Å. N is bonded to six equivalent Pd atoms to form corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
C3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.66 Å. N3- is bonded to six equivalent C1+ atoms to form corner-sharing NC6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Lu3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Lu–Pb bond lengths are 3.38 Å. Both Lu–C bond lengths are 2.39 Å. Pb is bonded to twelve equivalent Lu atoms to form PbLu12 cuboctahedra that share corners with twelve equivalent PbLu12 cuboctahedra, faces with six equivalent PbLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent PbLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
C3N4 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two cyanide nitrogen molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.36 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.
CN2S crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four aminothiocyanate molecules. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.87 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.48 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted single-bond geometry to one C4+ and one N1- atom.
Yb3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Yb–Pb bond lengths are 3.54 Å. Both Yb–C bond lengths are 2.50 Å. Pb is bonded to twelve equivalent Yb atoms to form PbYb12 cuboctahedra that share corners with twelve equivalent PbYb12 cuboctahedra, faces with six equivalent PbYb12 cuboctahedra, and faces with eight equivalent CYb6 octahedra. C is bonded to six equivalent Yb atoms to form CYb6 octahedra that share corners with six equivalent CYb6 octahedra and faces with eight equivalent PbYb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.