Acta Cryst. (2005). E61, i116-i119  [ doi:10.1107/S1600536805016211 ]

Europium antimony sulfide, Eu₆Sb₆S₁₇

G. Jin, D. M. Wells, S. J. Crerar, T. C. Shehee, A. Mar and T. E. Albrecht-Schmitt

Online 28 May 2005

Key indicators

• Single-crystal X-ray study
• T = 193 K
• Mean (S-S) = 0.003 Å
• R factor = 0.031
• wR factor = 0.062
• Data-to-parameter ratio = 26.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          m     
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          n     
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          b     

Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.699
           From the CIF: _refine_ls_abs_structure_Flack_su    0.016
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.70       
PLAT113_ALERT_2_C ADDSYM Suggests Possible Pseudo/New Spacegroup .       Pbca     

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           28.32
           From the CIF: _reflns_number_total               7062
           Count of symmetry unique reflns         3990
           Completeness (_total/calc)            176.99%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3072
           Fraction of Friedel pairs measured     0.770
           Are heavy atom types Z>Si present        yes

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 242
              chalcoantimonites and chalcobismuthites, <i>e.g.</i> K~2~(Ln~2-~<i>~x~</i>~
              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 243
              ~)Sb~4+~<i>~x~</i>Sb~4~Se~12~ (Ln = La, Ce, Pr and Gd; Chen & Dorhout, 1997),
              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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