View EntryDate of entry : 04/10/2017


Sergey Volkova, Stanislav Filatov Acta Crystallographica Section B ()

[ B-IncStrDB ID: 13312EZvd8l ]
 
Submitted by : Luis Elcoro [UPV/EHU]CIF File

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I

Chemical Properties

Structural Formula Sum: B2 O5 Sr2   [Help]
Weight: 276.9 Daltons  [Help]

Crystallographic Properties

a: 7.763(2) Å  [Help]
b: 5.3386(10) Å  [Help]
c: 11.875(2) Å  [Help]
α: 90 °  [Help]
β: 92.64(2) °  [Help]
γ: 90 °  [Help]
Volume: 491.62(18) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name (H-M): P 1 21/c 1   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 4   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.623 &mm;  [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]
Total measured intensities #: 3450   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 1214   [Help]
# of observed reflections: 1017   [Help]
Residual factor for the observed reflns.: 0.0314   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: X-ray tube   [Help]
Nature of the radiation: X-ray   [Help]
Radiation Wavelength: 0.71069 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   


II

Commensurate Supercell Matrix

200
010
001

Chemical Properties

Structural Formula Sum: B2 O5 Sr2   [Help]
Weight: 276.9 Daltons  [Help]

Crystallographic Properties

a: 3.882(2) Å  [Help]
b: 5.3386(10) Å  [Help]
c: 11.875(2) Å  [Help]
α: 90 °  [Help]
β: 92.64(2) °  [Help]
γ: 90 °  [Help]
Volume: 245.81(14) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name: P21/c(α0γ)00   [Help]
Number of Formula Units: 2   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.623 &mm;  [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]
Total measured intensities #: 3450   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 1214   [Help]
# of observed reflections: 1017   [Help]
Residual factor for the observed reflns.: 0.0314   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: X-ray tube   [Help]
Nature of the radiation: X-ray   [Help]
Radiation Wavelength: 0.71069 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)   

III

Chemical Properties

Structural Formula Sum: B2 O5 Sr2   [Help]
Weight: 276.9 Daltons  [Help]

Crystallographic Properties

a: 9.4662(11) Å  [Help]
b: 13.2754(7) Å  [Help]
c: 11.8671(16) Å  [Help]
α: 88.815(11) °  [Help]
β: 91.651(11) °  [Help]
γ: 91.473(11) °  [Help]
Volume: 1489.9(3) Å3  [Help]
Crystal System: triclinic   [Help]
Space Group Name (H-M): P -1   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 12   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.405 &mm;  [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Radiation source: X-ray tube   [Help]
Total measured intensities #: 42872   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 11221   [Help]
# of observed reflections: 4809   [Help]
Residual factor for the observed reflns.: 0.04   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: X-ray tube   [Help]
Nature of the radiation: X-ray   [Help]
Radiation Wavelength: 0.71073 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   


Iv

Commensurate Supercell Matrix

2-20
120
001

Chemical Properties

Structural Formula Sum: B2 O5 Sr2   [Help]
Weight: 276.9 Daltons  [Help]

Crystallographic Properties

a: 3.9001(11) Å  [Help]
b: 5.3685(7) Å  [Help]
c: 11.8671(16) Å  [Help]
α: 89.994(11) °  [Help]
β: 92.008(11) °  [Help]
γ: 90.038(11) °  [Help]
Volume: 248.32(8) Å3  [Help]
Crystal System: triclinic   [Help]
Space Group Name: P-1(αβγ)0   [Help]
Number of Formula Units: 2   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.549 &mm;  [Help]
Absorption-correction type: analytical   [Help]
Minimum transmission factor: 0.037   [Help]
Maximum transmission factor: 0.186   [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Radiation source: X-ray tube   [Help]
Area detector resolution: 5.1783   [Help]
Intensities measure method: ω scans   [Help]
Total measured intensities #: 42872   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 11221   [Help]
# of observed reflections: 4809   [Help]
Residual factor for the observed reflns.: 0.0412   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: X-ray tube   [Help]
Nature of the radiation: X-ray   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: Xcalibur, AtlasS2, Gemini ultra   [Help]
Class of the radiation detector: CCD plate   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)   

v

Chemical Properties

Structural Formula Sum: B2 O5 Sr2   [Help]
Weight: 276.9 Daltons  [Help]

Crystallographic Properties

a: 3.9125 Å  [Help]
b: 5.3699 Å  [Help]
c: 11.8732 Å  [Help]
α: 90 °  [Help]
β: 91.849 °  [Help]
γ: 90 °  [Help]
Volume: 249.323 Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name (H-M): P 1 21/c 1   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 2   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 21.613 &mm;  [Help]
Absorption-correction type: analytical   [Help]
Minimum transmission factor: 0.103   [Help]
Maximum transmission factor: 0.773   [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Radiation source: X-ray tube   [Help]
Area detector resolution: 5.1783   [Help]
Intensities measure method: ω scans   [Help]
Total measured intensities #: 2432   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 572   [Help]
# of observed reflections: 463   [Help]
Residual factor for the observed reflns.: 0.0299   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: X-ray tube   [Help]
Nature of the radiation: X-ray   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: Xcalibur, AtlasS2, Gemini ultra   [Help]
Class of the radiation detector: CCD plate   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)