[Open access]

Acta Cryst. (2012). E68, i71
[ doi:10.1107/S1600536812037038 ]

Pb6Co9(TeO6)5

C. Artner and M. Weil

Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A
PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density       3.52 eA-3
Author Response: From the SHELX output ALL relevant remaining electron density is found NEAR the Pb atoms (as expected, see CIF). Probably another problem with respect to differences between PLATON and SHELXL. 

Alert level C
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   PB1    --  PB2     ..       3.58 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   PB1    --  PB2     ..       3.58 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              Co9 O30 Pb6 Te5                                                  
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          6      
PLAT924_ALERT_1_C The Reported and Calculated Rho(min) Differ by .       1.04 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.50 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.04 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.74 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.54 eA-3 
PLAT975_ALERT_2_C Positive Residual Density at 0.73A from O1     .       1.08 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.81A from O6     .      -1.33 eA-3 


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           37.57
           From the CIF: _reflns_number_total               2262
           Count of symmetry unique reflns         1386
           Completeness (_total/calc)            163.20%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       876
           Fraction of Friedel pairs measured     0.632
           Are heavy atom types Z>Si present        yes
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pb1    --  Te2     ..       38.4 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pb2    --  Te1     ..       36.5 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Te1    --  Co1     ..        6.8 su   


   1 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  11 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   8 ALERT level G = General information/check it is not something unexpected

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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