Acta Cryst. (2004). E60, i45-i46  [ doi:10.1107/S1600536804003241 ]

Sodium pentafluorouranate(IV) monohydrate, Na[UF₅]·H₂O

A. Fischer and Z. Szabó

Online 20 February 2004

Key indicators

• Single-crystal X-ray study
• T = 299 K
• Mean (U-F) = 0.004 Å
• H-atom completeness 51%
• R factor = 0.023
• wR factor = 0.047
• Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O1     

Alert level B
CHEMS01_ALERT_1_B  The sum formula contains elements in the wrong order.
            H  precedes F
            Sequence must be C, H, then alphabetical.

Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            Emerald
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.31       
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O1       =       2.97 Ang.  

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:H2 F5 Na1 O1 U1
            Atom count from the _atom_site data:  H1 F5 Na1 O1 U1
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    8
           From the CIF: _chemical_formula_sum  H2 F5 Na O U
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H         16.00      8.00    8.00
           F         40.00     40.00    0.00
           Na         8.00      8.00    0.00
           O          8.00      8.00    0.00
           U          8.00      8.00    0.00

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

   7 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

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