NaP Structure : AB_oP16_19_2a_2a

Picture of Structure; Click for Big Picture
Prototype : NaP
AFLOW prototype label : AB_oP16_19_2a_2a
Strukturbericht designation : None
Pearson symbol : oP16
Space group number : 19
Space group symbol : $P2_{1}2_{1}2_{1}$
AFLOW prototype command : aflow --proto=AB_oP16_19_2a_2a
--params=
$a$,$b/a$,$c/a$,$x_{1}$,$y_{1}$,$z_{1}$,$x_{2}$,$y_{2}$,$z_{2}$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$


Other compounds with this structure

  • CsSb and KP

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} + y_{1} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & x_{1}a \, \mathbf{\hat{x}} + y_{1}b \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na I} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} - x_{1}\right) \, \mathbf{a}_{1}-y_{1} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{1}\right)a \, \mathbf{\hat{x}}-y_{1}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na I} \\ \mathbf{B}_{3} & = & -x_{1} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{1}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{1}\right) \, \mathbf{a}_{3} & = & -x_{1}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{1}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{1}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na I} \\ \mathbf{B}_{4} & = & \left(\frac{1}{2} +x_{1}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{1}\right) \, \mathbf{a}_{2}-z_{1} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{1}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{1}\right)b \, \mathbf{\hat{y}}-z_{1}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na I} \\ \mathbf{B}_{5} & = & x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na II} \\ \mathbf{B}_{6} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na II} \\ \mathbf{B}_{7} & = & -x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{2}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{2}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na II} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{2}\right)b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Na II} \\ \mathbf{B}_{9} & = & 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(4a\right) & \mbox{P I} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P I} \\ \mathbf{B}_{11} & = & -x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P I} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{3}\right)b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P I} \\ \mathbf{B}_{13} & = & 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(4a\right) & \mbox{P II} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P II} \\ \mathbf{B}_{15} & = & -x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P II} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{4}\right)b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{P II} \\ \end{array} \]

References

  • H. G. von Schnering and W. Hönle, Zur Chemie und Strukturchemie der Phosphide und Polyphosphide. 20. Darstellung, Struktur und Eigenschaften der Alkalimetallmonophosphide NaP und KP, Z. Anorg. Allg. Chem. 456, 194–206 (1979), doi:10.1002/zaac.19794560121.

Found in

Geometry files


Prototype Generator

aflow --proto=AB_oP16_19_2a_2a --params=

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