Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: ABC_tP6_129_c_a_c-001

This structure originally had the label ABC_tP6_129_c_a_c. Calls to that address will be redirected here.

If you are using this page, please cite:
M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)

Links to this page

https://aflow.org/p/0VRY
or https://aflow.org/p/ABC_tP6_129_c_a_c-001
or PDF Version

Matlockite ($E0_{1}$, PbFCl) Structure: ABC_tP6_129_c_a_c-001

Picture of Structure; Click for Big Picture
Prototype ClFPb
AFLOW prototype label ABC_tP6_129_c_a_c-001
Strukturbericht designation $E0_{1}$
Mineral name matlockite
ICSD 82884
Pearson symbol tP6
Space group number 129
Space group symbol $P4/nmm$
AFLOW prototype command aflow --proto=ABC_tP6_129_c_a_c-001
--params=$a, \allowbreak c/a, \allowbreak z_{2}, \allowbreak z_{3}$

Other compounds with this structure

AcOBr,  AlGeMn,  AmOCl,  BaHCl,  BiOBr,  BiOI,  CaHBr,  CeCoSi,  CeFeSi,  CeOCl,  CuFeAs,  CuFeSb,  DyOCl,  GeSZr,  GeSeZr,  GeTeZr,  LaOI,  LiFeAs,  NaFeAs,  NdOCl,  NpOS,  PbFBr,  PrOCl,  SSiZr,  SeSiZr,  SiTeZr,  SmOI,  SrHI,  ThOTe,  UOS,  UTe$_{2}$,  YbOI


\[ \begin{array}{ccc} \mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ (2a) F I
$\mathbf{B_{2}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}$ (2a) F I
$\mathbf{B_{3}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ (2c) Cl I
$\mathbf{B_{4}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ (2c) Cl I
$\mathbf{B_{5}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ (2c) Pb I
$\mathbf{B_{6}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ (2c) Pb I

References

Found in

  • R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Prototype Generator

aflow --proto=ABC_tP6_129_c_a_c --params=$a,c/a,z_{2},z_{3}$

Species:

Running:

Output: