Acta Cryst. (2006). E62, i266-i268  [ doi:10.1107/S1600536806036737 ]

Na₃Sc₂(BO₃)₃

Y. Zhang, N. Ye and D. A. Keszler

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (O-B) = 0.002 Å
• R factor = 0.019
• wR factor = 0.055
• Data-to-parameter ratio = 11.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT430_ALERT_2_A Short Inter D...A Contact  O1     ..  O1      ..       2.36 Ang. 

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.33 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.90      
PLAT731_ALERT_1_C Bond    Calc  2.5038(18), Rep   2.5037(8) ......       2.25 su-Ra
              NA   -O2      1.555   2.655                                      
PLAT732_ALERT_1_C Angle   Calc    92.08(8), Rep    92.07(3) ......       2.67 su-Ra
              B    -O2   -NA      1.555   1.555   1.555                        

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.902
            Tmax scaled      0.766 Tmin scaled      0.652
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster