Acta Cryst. (2005). E61, i70-i72  [ doi:10.1107/S1600536805011098 ]

Triammonium nonaiododiantimonate(III), (NH₄)₃[Sb₂I₉]

H. Zhang, L. Fang and R.-Z. Yuan

Online 16 April 2005

Key indicators

• Single-crystal X-ray study
• T = 223 K
• Mean (I-Sb) = 0.001 Å
• H-atom completeness 1%
• R factor = 0.041
• wR factor = 0.089
• Data-to-parameter ratio = 46.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         I5     

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:H12 I9 N3 Sb2
            Atom count from the _atom_site data:  I9 N3 Sb2
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  H12 I9 N3 Sb2
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H         48.00      0.00   48.00
           I         36.00     36.00    0.00
           N         12.00     12.00    0.00
           Sb         8.00      8.00    0.00

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

   4 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
   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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