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NaCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Na–Cl bond lengths are 3.03 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
NaCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.85 Å. Cl1- is bonded to six equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Na2Cl is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Na2Cl sheets oriented in the (0, 0, 1) direction. Na is bonded in a distorted T-shaped geometry to three equivalent Cl atoms. All Na–Cl bond lengths are 2.84 Å. Cl is bonded to six equivalent Na atoms to form edge-sharing ClNa6 octahedra.
Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.
Na2Cl crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two Na2Cl sheets oriented in the (1, 0, 0) direction. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to four equivalent Na atoms. All Na–Na bond lengths are 3.29 Å. In the second Na site, Na is bonded in a square co-planar geometry to four equivalent Cl atoms. All Na–Cl bond lengths are 2.92 Å. In the third Na site, Na is bonded in an L-shaped geometry to two equivalent Na and two equivalent Cl atoms. Both Na–Cl bond lengths are 2.78 Å. Cl is bonded in a rectangular see-saw-like geometry to four Na atoms.
Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.
Na3Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. There are four shorter (3.57 Å) and eight longer (3.90 Å) Na–Na bond lengths. In the second Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Cl bond lengths are 3.04 Å. Cl is bonded in a body-centered cubic geometry to eight equivalent Na atoms.