Crystal Lattice Structures: | Creation Date: 22 Feb 2002 |
Last Modified: 21 Oct 2004 |
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a and c are the lattice constants of the equivalent hexagonal unit cell.
A_{1} | _{ }=_{ } | + ½ a X - ½ 3^{-1/2} a Y + 1/3 c Z_{ } |
A_{2} | _{ }=_{ } | + 3^{-1/2} a Y + 1/3 c Z_{ } |
A_{3} | _{ }=_{ } | - ½ a X - ½ 3^{-1/2} a Y + 1/3 c Z_{ } |
B_{1} | _{ }=_{ } | x_{Ni} A_{1} + x_{Ni} A_{2} + z_{Ni} A_{3} | _{ }=_{ } | ½ (x_{Ni} - z_{Ni}) a X + (x_{Ni} - z_{Ni}) 12^{-½} a Y + 1/3 (2 x_{Ni} + z_{Ni}) c_{ }Z | _{ }(3b)_{ } | _{ }(Ni) |
B_{2} | _{ }=_{ } | z_{Ni} A_{1} + x_{Ni} A_{2} + x_{Ni} A_{3} | _{ }=_{ } | ½ (z_{Ni} - x_{Ni}) a X + (x_{Ni} - z_{Ni}) 12^{-½} a Y + 1/3 (2 x_{Ni} + z_{Ni}) c_{ }Z | _{ }(3b)_{ } | _{ }(Ni) |
B_{3} | _{ }=_{ } | x_{Ni} A_{1} + z_{Ni} A_{2} + x_{Ni} A_{3} | _{ }=_{ } | - (x_{Ni} - z_{Ni}) 3^{-½} a Y + 1/3 (2 x_{Ni} + z_{Ni}) c_{ }Z | _{ }(3b)_{ } | _{ }(Ni) |
B_{4} | _{ }=_{ } | x_{S} A_{1} + x_{S} A_{2} + z_{S} A_{3} | _{ }=_{ } | ½ (x_{S} - z_{S}) a X + (x_{S} - z_{S}) 12^{-½} a Y + 1/3 (2 x_{S} + z_{S}) c_{ }Z | _{ }(3b)_{ } | _{ }(S) |
B_{5} | _{ }=_{ } | z_{S} A_{1} + x_{S} A_{2} + x_{S} A_{3} | _{ }=_{ } | ½ (z_{S} - x_{S}) a X + (x_{S} - z_{S}) 12^{-½} a Y + 1/3 (2 x_{S} + z_{S}) c_{ }Z | _{ }(3b)_{ } | _{ }(S) |
B_{6} | _{ }=_{ } | x_{S} A_{1} + z_{S} A_{2} + x_{S} A_{3} | _{ }=_{ } | - (x_{S} - z_{S}) 3^{-½} a Y + 1/3 (2 x_{S} + z_{S}) c_{ }Z | _{ }(3b)_{ } | _{ }(S) |
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This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017). |