Acta Cryst. (2007). E63, i47-i49  [ doi:10.1107/S1600536807002000 ]

Reinvestigation of eakerite, Ca₂SnAl₂Si₆O₁₈(OH)₂·2H₂O: H-atom positions by single-crystal X-ray diffraction and correlation with Raman spectroscopic data

H. Uchida, R. T. Downs and R. M. Thompson

Online 24 January 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (l-O) = 0.001 Å
• R factor = 0.027
• wR factor = 0.066
• Data-to-parameter ratio = 33.3

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact  Si2    ..  O8      ..       3.09 Ang. 

Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  Si3    ..  O8      ..       3.27 Ang. 

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c   ....    P21/a        
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O8     -   H81    ...       0.66 Ang. 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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

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