[HTML version][PDF version] [Open access]

Acta Cryst. (2009). E65, i44  [ doi:10.1107/S1600536809018157 ]

RbCa2Nb3O10 from X-ray powder data

Z.-H. Liang, K.-B. Tang, Q.-W. Chen and H.-G. Zheng

Online 23 May 2009

Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for         O2
Author Response: Because of cooedination of O2 with high Ueq value to Nb1 and Nb2, Ueq value of Nb1 and Nb2 is relatively low. I have confirmed that the atom type is right. Large differences may indicate that thermal motion of the O2 atom is drastic. This case often appeared in the layer perovskites of Nb and Ta. 
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        Nb1
Author Response: Same as above. 
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        Nb2
Author Response: Same as above. 

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
PLAT087_ALERT_2_C Unsatisfactory S value (Too High) ..............       2.54      
PLAT731_ALERT_1_C Bond    Calc 1.92930(10), Rep  1.92932(3) ......       3.33 su-Ra
              NB1  -O1      1.555   1.545                                      
PLAT731_ALERT_1_C Bond    Calc 1.92930(10), Rep  1.92932(3) ......       3.33 su-Ra
              NB1  -O1      1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc 1.92930(10), Rep  1.92932(3) ......       3.33 su-Ra
              NB1  -O1      1.555   2.555                                      
PLAT731_ALERT_1_C Bond    Calc 1.92930(10), Rep  1.92932(3) ......       3.33 su-Ra
              NB1  -O1      1.555   2.655                                      


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

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

Copyright © International Union of Crystallography
IUCr Webmaster