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Acta Cryst. (2005). E61, i177-i179  [ doi:10.1107/S160053680502060X ]

Sel mixte de lithium et de sodium eicosahydrate, Na5.22Li0.78[V10O28]·20H2O

R. Ksiksi, M. Graia and T. Jouini

Online 16 juillet 2005


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Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 17.00 Perc. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. O10 .. 2.61 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H18 .. O8# .. 2.67 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 11 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 5.60 Deg. LI5 -O10 -NA3 1.545 1.555 1.545 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 14.70 Deg. LI5 -OW5 -NA3 2.445 1.555 2.445 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 22.60 Deg. LI5 -OW5 -NA4 2.445 1.555 2.445 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 8.00 Deg. NA3 -OW5 -NA4 2.445 1.555 2.445 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 15.50 Deg. NA3 -OW6 -NA4 1.545 1.555 1.545 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 15.80 Deg. NA3 -OW6 -LI5 1.545 1.555 1.545 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 31.10 Deg. NA4 -OW6 -LI5 1.545 1.555 1.545 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 16.60 Deg. NA3 -OW8 -LI5 3.565 1.555 3.565 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 15.30 Deg. NA3 -OW8 -NA4 3.565 1.555 3.565 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 31.70 Deg. LI5 -OW8 -NA4 3.565 1.555 3.565 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 13.50 Deg. NA4 -OW9 -NA3 2.545 1.555 2.545
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: H40 Li0.78 Na5.22 O48 V10 Atom count from _chemical_formula_moiety:Li0.78 Na5.22
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 20 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 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 5 ALERT type 4 Improvement, methodology, query or suggestion

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