Acta Cryst. (2009). E65, i25  [ doi:10.1107/S1600536809007211 ]

Gadolinium scandium germanide, Gd₂Sc₃Ge₄

S. Misra and G. J. Miller

Online 6 March 2009

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (Ge-Sc) = 0.003 Å
• Disorder in main residue
• R factor = 0.031
• wR factor = 0.066
• Data-to-parameter ratio = 19.6

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   298.000
            Value of melting point given =     0.000
PLAT301_ALERT_3_C Main Residue  Disorder .........................      20.00 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?

Alert level G
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE1  -GD2     2.664   1.555   2.664                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE1  -GD2     6.657   1.555   6.657                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              GD1  -GE1  -SC1     6.556   1.555   6.556                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE2  -GD2     8.665   1.555   8.665                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE2  -GD2     2.564   1.555   2.564                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE2  -GD2     3.656   1.555   3.656                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              GD2  -GE2  -SC2     5.666   1.555   5.666                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE3  -GD2     3.657   1.555   3.657                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              SC2  -GE3  -GD2     5.667   1.555   5.667                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              GD1  -GE3  -SC1     8.766   1.555   8.766                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......       0.00 Deg. 
              GD1  -GE3  -SC1     2.665   1.555   2.665                        

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

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

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