Acta Cryst. (2006). E62, i160-i162  [ doi:10.1107/S1600536806021635 ]

The langbeinite type Rb₂TiY(PO₄)₃

J. C. M. Gustafsson, S. T. Norberg and G. Svensson

Online 28 June 2006

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (P-O) = 0.005 Å
• Disorder in main residue
• R factor = 0.033
• wR factor = 0.079
• Data-to-parameter ratio = 20.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...         -4     
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...         -4     
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...         -4     

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for          P     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc. 

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           31.89
           From the CIF: _reflns_number_total               1254
           Count of symmetry unique reflns          709
           Completeness (_total/calc)            176.87%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       545
           Fraction of Friedel pairs measured     0.769
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
   4 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
   6 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

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