Acta Cryst. (2007). E63, i190  [ doi:10.1107/S1600536806040980 ]

The mineral marrucciite: monoclinic Hg₃Pb₁₆Sb₁₈S₄₆

F. Laufek, J. Sejkora, K. Fejfarová, M. Dusek and D. Ozdín

Online 24 October 2007

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean (b-S) = 0.003 Å
• Disorder in main residue
• R factor = 0.024
• wR factor = 0.045
• Data-to-parameter ratio = 19.3

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    S     Ueq(max)/Ueq(min) ...       2.98 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        S14     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      16.27 Deg. 
              SB10 -S20  -SB10    1.555   1.555   4.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      16.27 Deg. 
              SB10 -S20  -SB10    4.555   1.555   1.555                        

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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