Acta Cryst. (2009). E65, i90  [ doi:10.1107/S1600536809048454 ]

Non-isovalent substitution in a Zintl phase with the TiNiSi type structure, CaMg_1-xAg_xGe [x = 0.13 (3)]

C. Banenzoué, S. Ponou and J. N. Lambi

Online 21 November 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean () = 0.000 Å
• Disorder in main residue
• R factor = 0.019
• wR factor = 0.041
• Data-to-parameter ratio = 24.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94      

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.02      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         27      

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................      11.00 Perc.
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              MG1  -GE1  -AG1     5.666   1.555   5.666                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              MG1  -GE1  -AG1     5.656   1.555   5.656                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              AG1  -GE1  -MG1     1.655   1.555   1.655                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              MG1  -GE1  -AG1     6.656   1.555   6.656                        
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   8 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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