Acta Cryst. (2006). E62, i176-i178  [ doi:10.1107/S1600536806029382 ]

Dipotassium tetrasodium decavanadate octadecahydrate

U. Lee

Online 2 August 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (V-O) = 0.003 Å
• H-atom completeness 89%
• R factor = 0.045
• wR factor = 0.124
• Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW9     

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?

PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.68 mm   

PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?

PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         39      

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:H36 K2 Na4 O46 V10
            Atom count from the _atom_site data:  H32 K2 Na4 O46 V10
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.192     0.234
            Tmin and Tmax expected:      0.188     0.254
            RR =      1.106
            Please check that your absorption correction is appropriate.
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  H36 K2 Na4 O46 V10
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H        144.00    128.00   16.00
           K          8.00      8.00    0.00
           Na        16.00     16.00    0.00
           O        184.00    184.00    0.00
           V         40.00     40.00    0.00

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

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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

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