Acta Cryst. (2008). E64, i48  [ doi:10.1107/S1600536808021995 ]

A new polymorph of Lu(PO₃)₃

A. Bejaoui, K. Horchani-Naifer and M. Férid

Online 19 July 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (Lu-O) = 0.005 Å
• R factor = 0.033
• wR factor = 0.061
• Data-to-parameter ratio = 26.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT213_ALERT_2_C Atom O10     has ADP max/min Ratio .............       3.10 prola
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.75 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P1     
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for      O9     141.20 Deg. 
PLAT395_ALERT_2_C Deviating  X-O-Y  Angle from 120 Deg for     O10     144.90 Deg. 
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio

Alert level G
PLAT793_ALERT_4_G Check the Absolute Configuration of P1     .....          R      
PLAT793_ALERT_4_G Check the Absolute Configuration of P2     .....          R      
PLAT793_ALERT_4_G Check the Absolute Configuration of P3     .....          S      
PLAT793_ALERT_4_G Check the Absolute Configuration of P4     .....          R      

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

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

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