(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2009). E65, i68 [ doi:10.1107/S1600536809031559 ]

Titanium germanium antimonide, TiGeSb

R. Lam and A. Mar

Online 15 August 2009

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (Ge-Ti) = 0.001 Å
R factor = 0.032
wR factor = 0.081
Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.125

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.117     0.718
            Tmin and Tmax expected:      0.049     0.754
            RR =      2.525
            Please check that your absorption correction is appropriate.
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.12 mm   

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 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