$\alpha$–Naumannite (Ag2Se) Structure: A2B_oP12_17_abe_e
| Prototype | : | Ag2Se |
| AFLOW prototype label | : | A2B_oP12_17_abe_e |
| Strukturbericht designation | : | None |
| Pearson symbol | : | oP12 |
| Space group number | : | 17 |
| Space group symbol | : | $P222_{1}$ |
| AFLOW prototype command | : | aflow --proto=A2B_oP12_17_abe_e --params=$a,b/a,c/a,x_{1},x_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}$ |
Simple Orthorhombic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\
\mathbf{a}_2 & = & b \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & x_{1} \, \mathbf{a}_{1} & = & x_{1}a \, \mathbf{\hat{x}} & \left(2a\right) & \mbox{Ag I} \\ \mathbf{B}_{2} & = & -x_{1} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{1}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Ag I} \\ \mathbf{B}_{3} & = & x_{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & x_{2}a \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} & \left(2b\right) & \mbox{Ag II} \\ \mathbf{B}_{4} & = & -x_{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Ag II} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Ag III} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Ag III} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{3}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Ag III} \\ \mathbf{B}_{8} & = & x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Ag III} \\ \mathbf{B}_{9} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Se} \\ \mathbf{B}_{10} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Se} \\ \mathbf{B}_{11} & = & -x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Se} \\ \mathbf{B}_{12} & = & x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Se} \\ \end{array} \]References
- Z. G. Pinsker, C. Ching–liang, R. M. Imamov, and E. L. Lapidus, Determination of the crystal structure of the low–temperature phase α–Ag2Se, Sov. Phys. Crystallogr. 10, 225–231 (1965).
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).