Acta Cryst. (2009). E65, i33  [ doi:10.1107/S1600536809011866 ]

A synchrotron study of Na_2.27Ho_7.73(SiO₄)₆O_0.72

I. Rosales, E. Orozco, L. Bucio, M. E. Fuentes and L. Fuentes

Online 8 April 2009

Key indicators

• Powder synchrotron study
• T = 295 K
• Mean (Si-O) = 0.016 Å
• Disorder in main residue
• R factor = 0.000
• wR factor = 0.000
• Data-to-parameter ratio = 0.0

checkCIF/PLATON results

No syntax errors found




Alert level C
REFI023_ALERT_1_C  _refine_diff_density_max is missing
            Maximum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMX_01,DIFMX_02
REFI024_ALERT_1_C  _refine_diff_density_min is missing
            Minimum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMN_02,DIFMN_03
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Ho1     
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....        <O4     
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?

Alert level G
PLAT301_ALERT_3_G Note Main Residue  Disorder ....................      22.00 Perc.
PLAT092_ALERT_4_G Check: Wavelength given is not Cu,Mo or Ag Ka ..       1.03 Ang. 
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 168
              fluorine is represented as Na<i>~x~</i>Ho~10 - ~<i>~x~</i>(SiO~4~)~6~O~2 -
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 169
              ~<i>~y~</i>F<i>~y~</i>. The crystal structure of OAp has an arrangement
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   2 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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