Acta Cryst. (2007). E63, i3-i4  [ doi:10.1107/S1600536806051300 ]

Li_1,44Al_1,44Si_1,56O₆

M. Graia, R. Ksiksi and A. Driss

Online 13 decembre 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean () = 0.000 Å
• Disorder in main residue
• R factor = 0.017
• wR factor = 0.051
• Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found



Alert level A
GEOM005_ALERT_1_A  _geom_angle_atom_site_label_1 is missing
            Label identifying the atom site 1.
GEOM006_ALERT_1_A  _geom_angle_atom_site_label_2 is missing
            Label identifying the atom site 2.
PLAT043_ALERT_1_A Check Reported Molecular Weight ................     188.67      
PLAT044_ALERT_1_A Calculated and Reported Dx Differ ..............          ?
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .     261.54 Perc.
PLAT075_ALERT_1_A Occupancy       2.00 greater than 1.0 for ......          O      

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT127_ALERT_1_C Implicit Hall Symbol  Inconsistent with Explicit    P 62 2c (00-2
PLAT144_ALERT_4_C su on alpha    Small or Missing  (x 10000) .....          0 Deg. 
PLAT145_ALERT_4_C su on beta     Small or Missing  (x 10000) .....          0 Deg. 
PLAT146_ALERT_4_C su on gamma    Small or Missing  (x 10000) .....          0 Deg. 
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ...         SI     
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ...         AL     
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ...         LI     
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ...         SI     
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ...         AL     
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ...         LI     
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ...         SI     
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ...         AL     
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ...         LI     
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ...          O     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      25.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      48.00 Perc.
PLAT751_ALERT_4_C Bond    Calc     2.05796, Rep  2.0579(15) ......  Senseless su   
              LI   -O       1.555   1.544                                      
PLAT751_ALERT_4_C Bond    Calc     2.05796, Rep  2.0579(15) ......  Senseless su   
              O    -LI      1.555   1.566                                      

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           29.39
           From the CIF: _reflns_number_total                134
           Count of symmetry unique reflns           99
           Completeness (_total/calc)            135.35%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured        35
           Fraction of Friedel pairs measured     0.354
           Are heavy atom types Z>Si present        yes

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

   9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
  18 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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