C19Sc15 Structure : A19B15_tP68_114_bc4e_ac3e

Picture of Structure; Click for Big Picture
Prototype : C19Sc15
AFLOW prototype label : A19B15_tP68_114_bc4e_ac3e
Strukturbericht designation : None
Pearson symbol : tP68
Space group number : 114
Space group symbol : $P\bar{4}2_{1}c$
AFLOW prototype command : aflow --proto=A19B15_tP68_114_bc4e_ac3e
--params=
$a$,$c/a$,$z_{3}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$,$x_{6}$,$y_{6}$,$z_{6}$,$x_{7}$,$y_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$,$x_{9}$,$y_{9}$,$z_{9}$,$x_{10}$,$y_{10}$,$z_{10}$,$x_{11}$,$y_{11}$,$z_{11}$


Other compounds with this structure

  • C19Er15, C19Lu15, C19Tm15, C19Y15, and C19Yb15

Simple Tetragonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Sc I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Sc I} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{C I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(2b\right) & \mbox{C I} \\ \mathbf{B}_{5} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{C II} \\ \mathbf{B}_{6} & = & -z_{3} \, \mathbf{a}_{3} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{C II} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{C II} \\ \mathbf{B}_{8} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{C II} \\ \mathbf{B}_{9} & = & z_{4} \, \mathbf{a}_{3} & = & z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sc II} \\ \mathbf{B}_{10} & = & -z_{4} \, \mathbf{a}_{3} & = & -z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sc II} \\ \mathbf{B}_{11} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sc II} \\ \mathbf{B}_{12} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sc II} \\ \mathbf{B}_{13} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{14} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{15} & = & y_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{16} & = & -y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{17} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{19} & = & \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{20} & = & \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C III} \\ \mathbf{B}_{21} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{22} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{23} & = & y_{6} \, \mathbf{a}_{1}-x_{6} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & y_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{24} & = & -y_{6} \, \mathbf{a}_{1} + x_{6} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & -y_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{25} & = & \left(\frac{1}{2} - x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{6}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{6}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} +x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{6}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{6}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{27} & = & \left(\frac{1}{2} - y_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{6}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{28} & = & \left(\frac{1}{2} +y_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C IV} \\ \mathbf{B}_{29} & = & x_{7} \, \mathbf{a}_{1} + y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{30} & = & -x_{7} \, \mathbf{a}_{1}-y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}}-y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{31} & = & y_{7} \, \mathbf{a}_{1}-x_{7} \, \mathbf{a}_{2}-z_{7} \, \mathbf{a}_{3} & = & y_{7}a \, \mathbf{\hat{x}}-x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{32} & = & -y_{7} \, \mathbf{a}_{1} + x_{7} \, \mathbf{a}_{2}-z_{7} \, \mathbf{a}_{3} & = & -y_{7}a \, \mathbf{\hat{x}} + x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{33} & = & \left(\frac{1}{2} - x_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{7}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{7}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{34} & = & \left(\frac{1}{2} +x_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{7}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{7}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{35} & = & \left(\frac{1}{2} - y_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{7}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{36} & = & \left(\frac{1}{2} +y_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{7}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C V} \\ \mathbf{B}_{37} & = & x_{8} \, \mathbf{a}_{1} + y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{38} & = & -x_{8} \, \mathbf{a}_{1}-y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{39} & = & y_{8} \, \mathbf{a}_{1}-x_{8} \, \mathbf{a}_{2}-z_{8} \, \mathbf{a}_{3} & = & y_{8}a \, \mathbf{\hat{x}}-x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{40} & = & -y_{8} \, \mathbf{a}_{1} + x_{8} \, \mathbf{a}_{2}-z_{8} \, \mathbf{a}_{3} & = & -y_{8}a \, \mathbf{\hat{x}} + x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{41} & = & \left(\frac{1}{2} - x_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{8}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{8}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{42} & = & \left(\frac{1}{2} +x_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{8}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{8}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{43} & = & \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{8}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{8}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{44} & = & \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{8}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{8}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{C VI} \\ \mathbf{B}_{45} & = & x_{9} \, \mathbf{a}_{1} + y_{9} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & x_{9}a \, \mathbf{\hat{x}} + y_{9}a \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{46} & = & -x_{9} \, \mathbf{a}_{1}-y_{9} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & -x_{9}a \, \mathbf{\hat{x}}-y_{9}a \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{47} & = & y_{9} \, \mathbf{a}_{1}-x_{9} \, \mathbf{a}_{2}-z_{9} \, \mathbf{a}_{3} & = & y_{9}a \, \mathbf{\hat{x}}-x_{9}a \, \mathbf{\hat{y}}-z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{48} & = & -y_{9} \, \mathbf{a}_{1} + x_{9} \, \mathbf{a}_{2}-z_{9} \, \mathbf{a}_{3} & = & -y_{9}a \, \mathbf{\hat{x}} + x_{9}a \, \mathbf{\hat{y}}-z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{49} & = & \left(\frac{1}{2} - x_{9}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{9}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{9}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{50} & = & \left(\frac{1}{2} +x_{9}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{9}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{9}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{51} & = & \left(\frac{1}{2} - y_{9}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{9}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{9}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{52} & = & \left(\frac{1}{2} +y_{9}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{9}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{9}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc III} \\ \mathbf{B}_{53} & = & x_{10} \, \mathbf{a}_{1} + y_{10} \, \mathbf{a}_{2} + z_{10} \, \mathbf{a}_{3} & = & x_{10}a \, \mathbf{\hat{x}} + y_{10}a \, \mathbf{\hat{y}} + z_{10}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{54} & = & -x_{10} \, \mathbf{a}_{1}-y_{10} \, \mathbf{a}_{2} + z_{10} \, \mathbf{a}_{3} & = & -x_{10}a \, \mathbf{\hat{x}}-y_{10}a \, \mathbf{\hat{y}} + z_{10}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{55} & = & y_{10} \, \mathbf{a}_{1}-x_{10} \, \mathbf{a}_{2}-z_{10} \, \mathbf{a}_{3} & = & y_{10}a \, \mathbf{\hat{x}}-x_{10}a \, \mathbf{\hat{y}}-z_{10}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{56} & = & -y_{10} \, \mathbf{a}_{1} + x_{10} \, \mathbf{a}_{2}-z_{10} \, \mathbf{a}_{3} & = & -y_{10}a \, \mathbf{\hat{x}} + x_{10}a \, \mathbf{\hat{y}}-z_{10}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{57} & = & \left(\frac{1}{2} - x_{10}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{10}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{10}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{10}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{58} & = & \left(\frac{1}{2} +x_{10}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{10}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{10}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{10}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{59} & = & \left(\frac{1}{2} - y_{10}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{10}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{10}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{10}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{60} & = & \left(\frac{1}{2} +y_{10}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{10}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{10}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{10}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc IV} \\ \mathbf{B}_{61} & = & x_{11} \, \mathbf{a}_{1} + y_{11} \, \mathbf{a}_{2} + z_{11} \, \mathbf{a}_{3} & = & x_{11}a \, \mathbf{\hat{x}} + y_{11}a \, \mathbf{\hat{y}} + z_{11}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{62} & = & -x_{11} \, \mathbf{a}_{1}-y_{11} \, \mathbf{a}_{2} + z_{11} \, \mathbf{a}_{3} & = & -x_{11}a \, \mathbf{\hat{x}}-y_{11}a \, \mathbf{\hat{y}} + z_{11}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{63} & = & y_{11} \, \mathbf{a}_{1}-x_{11} \, \mathbf{a}_{2}-z_{11} \, \mathbf{a}_{3} & = & y_{11}a \, \mathbf{\hat{x}}-x_{11}a \, \mathbf{\hat{y}}-z_{11}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{64} & = & -y_{11} \, \mathbf{a}_{1} + x_{11} \, \mathbf{a}_{2}-z_{11} \, \mathbf{a}_{3} & = & -y_{11}a \, \mathbf{\hat{x}} + x_{11}a \, \mathbf{\hat{y}}-z_{11}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{65} & = & \left(\frac{1}{2} - x_{11}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{11}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{11}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{11}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{66} & = & \left(\frac{1}{2} +x_{11}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{11}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{11}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{11}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{67} & = & \left(\frac{1}{2} - y_{11}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{11}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{11}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{11}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \mathbf{B}_{68} & = & \left(\frac{1}{2} +y_{11}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{11}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{11}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{11}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Sc V} \\ \end{array} \]

References

  • H. Jedlicka, H. Nowotny, and F. Benesovsky, Zum System Scandium–Kohlenstoff, 2. Mitt.: Kristallstruktur des C–reichen Carbids, Monatshefte für Chemie – Chemical Monthly 102, 389–403 (1971), doi:10.1007/BF00909332.

Geometry files


Prototype Generator

aflow --proto=A19B15_tP68_114_bc4e_ac3e --params=

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