(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2001). E57, i80-i81 [ doi:10.1107/S1600536801013678 ]

Matlockite-type PbFI

M. Weil and F. Kubel

Online 31 August 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (Pb-F) = 0.001 Å
R factor = 0.041
wR factor = 0.098
Data-to-parameter ratio = 16.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.107                                                    

PLAT_030  Alert C Refined Extinction parameter within range ....       2.67 Sigma

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     PB   -PB      1.555   1.655

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     PB   -PB      1.555   1.455

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     PB   -PB      1.555   1.565

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     PB   -PB      1.555   1.545

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     PB   -F       1.555   9.555

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     PB   -F       1.555   1.445

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     I    -I       1.555   1.565

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     I    -I       1.555   1.655

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     I    -I       1.555   1.455

PLAT_731  Alert C Bond    Calc  4.2374(10), Rep   4.2374(3) ....       3.33 s.u-Ratio
                     I    -I       1.555   1.545

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     F    -PB      1.555   9.555

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     F    -PB      1.555   1.665

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     F    -PB      1.555   1.545

PLAT_731  Alert C Bond    Calc  4.9523(11), Rep   4.9523(4) ....       2.75 s.u-Ratio
                     F    -PB      1.555   9.765

General Notes



ABSTM_02  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00             
          Tmin and Tmax reported:      0.023     0.611                          
          Tmin and Tmax expected:      0.000     0.730                          
          RR =     79.809                                                       
          Please check that your absorption correction is appropriate.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 16 Alert Level C = Please check