Acta Cryst. (2009). E65, i56-i57  [ doi:10.1107/S1600536809025100 ]

Redetermination of AgNb₂PS₁₀ revealing a silver deficiency

J. Do and H. Yun

Online 4 July 2009

Key indicators

• Single-crystal X-ray study
• T = 290 K
• Mean (S-P) = 0.004 Å
• Disorder in main residue
• R factor = 0.045
• wR factor = 0.109
• Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   AG     --  NB1     ..       4.31 Ang. 

Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.12 Ratio
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   AG     --  AG      ..       3.55 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   AG     --  P       ..       3.55 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   NB1    --  NB2     ..       3.77 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   NB2    --  NB1     ..       3.77 Ang. 

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      98.09      
PLAT301_ALERT_3_G Note Main Residue  Disorder ....................       6.00 Perc.

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

   7 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
   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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