View EntryDate of entry : 02/10/2015


Incommensurate modulation and thermal expansion of
Sr3B2+xSi1-xO8-x/2 solid solutions

Volkov, Sergey; Bubnova, Rimma; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Acta Crystallographica, Section B 71 489 - 497 (2015)

[ B-IncStrDB ID: 11322EzrAh2 ]
 
Submitted by : Luis Elcoro [UPV/EHU]CIF File

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I

Chemical Properties

Structural Formula Sum: B3.041 O10.479 Si0.959 Sr4   [Help]
Weight: 577.9 Daltons  [Help]

Crystallographic Properties

a: 12.2774 Å  [Help]
b: 3.9006 Å  [Help]
c: 5.4091 Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 259.038 Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n m a   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 1   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 20.637 &mm;  [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Radiation source: X-ray tube   [Help]
Total measured intensities #: 8190   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 1031   [Help]
# of observed reflections: 428   [Help]
Residual factor for the observed reflns.: 0.0765   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71073 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   


II

Chemical Properties

Structural Formula Sum: B3.376 O10.312 Si0.624 Sr4   [Help]
Weight: 569.5 Daltons  [Help]

Crystallographic Properties

a: 12.178(2) Å  [Help]
b: 3.8801(8) Å  [Help]
c: 5.387(11) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 254.55(9) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n m a   [Help]
Number of Formula Units: 1   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 20.959 &mm;  [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]
Intensities measure method: ??integration method??   [Help]
Total measured intensities #: 4274   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 1403   [Help]
# of observed reflections: 441   [Help]
Residual factor for the observed reflns.: 0.0605   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: IPDS Stoe   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)   

III

Chemical Properties

Structural Formula Sum: B3.704 O10.148 Si0.296 Sr4   [Help]
Weight: 561.2 Daltons  [Help]

Crystallographic Properties

a: 12.089 Å  [Help]
b: 3.8635 Å  [Help]
c: 5.378 Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 251.184 Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n m a   [Help]
Number of Formula Units: 1   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.198 &mm;  [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]
Intensities measure method: ??integration method??   [Help]
Total measured intensities #: 4765   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 1431   [Help]
# of observed reflections: 431   [Help]
Residual factor for the observed reflns.: 0.0806   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: IPDS Stoe   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)