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KAlF4 |
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Launay J, Bulou A, Hewat A, Gibaud A, Laval J, Nouet J |
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Journal de Physique 46 (1985) 771-782 |
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Shear transformation in the layered compound KAlF4: low temperature |
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phase structure and transformation mechanism |
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_cod_database_code 1000207 |
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_database_code_amcsd 0012760 |
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5.0449 5.0449 6.1592 90 90 90 P4/mbm |
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atom x y z |
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Al1 0 0 0 |
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K1 .5 0 .5 |
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F1 .2826 .2174 0 |
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F2 0 0 .2828 |
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| Download AMC data (View Text File)
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KAlF4 |
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Launay J, Bulou A, Hewat A, Gibaud A, Laval J, Nouet J |
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Journal de Physique 46 (1985) 771-782 |
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Shear transformation in the layered compound KAlF4: low temperature |
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phase structure and transformation mechanism |
|
_cod_database_code 1000208 |
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_database_code_amcsd 0012761 |
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7.3403 7.2370 6.4070 90 106.801 90 P2_1/m |
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atom x y z |
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Al1 0 0 0 |
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Al2 .5 0 0 |
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K1 .131 .25 .541 |
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K2 .633 .25 .544 |
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F1 .2581 -.0205 .0077 |
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F2 .029 .25 .051 |
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F3 .4874 .25 .044 |
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F4 .0712 -.0370 .2836 |
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F5 .5738 -.0361 .2840 |
|
|
| Download AMC data (View Text File)
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|
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Al F4 Rb |
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Bulou A, Nouet J |
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Journal of Physics C: Solid State Physics 15 (1982) 183-196 |
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Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray |
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powder diffraction investigations and neutron powder profile refinement |
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of the structures |
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_cod_database_code 1000453 |
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_database_code_amcsd 0013168 |
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3.6586 3.6586 6.3061 90 90 90 P4/mmm |
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atom x y z |
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Rb1 .5 .5 .5 |
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Al1 0 0 0 |
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F1 .5 0 0 |
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F2 0 0 .2770 |
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|
| Download AMC data (View Text File)
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|
| |
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Al F4 Rb |
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Bulou A, Nouet J |
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Journal of Physics C: Solid State Physics 15 (1982) 183-196 |
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Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray |
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powder diffraction investigations and neutron powder profile refinement |
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of the structures |
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_cod_database_code 1000454 |
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_database_code_amcsd 0013169 |
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5.1375 5.1375 6.2912 90 90 90 P4/mbm |
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atom x y z |
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Rb1 0 .5 .5 |
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Al1 0 0 0 |
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F1 .2801 .2199 0 |
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F2 0 0 .2771 |
|
|
| Download AMC data (View Text File)
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|
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Al F4 Rb |
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Bulou A, Nouet J |
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Journal of Physics C: Solid State Physics 15 (1982) 183-196 |
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Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray |
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powder diffraction investigations and neutron powder profile refinement |
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of the structures |
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_cod_database_code 1000455 |
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_database_code_amcsd 0013170 |
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5.1227 5.1227 6.2815 90 90 90 P4/mbm |
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atom x y z |
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Rb1 0 .5 .5 |
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Al1 0 0 0 |
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F1 .2841 .2159 0 |
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F2 0 0 .2776 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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RbAlF4 |
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Bulou A, Nouet J |
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Journal of Physics C: Solid State Physics 15 (1982) 183-196 |
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Structural phase transitions in ferroelastic RbAlF4: I. DSC, X-ray powder diffraction |
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investigations and neutron powder profile refinement of the structures |
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_cod_database_code 1000456 |
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_database_code_amcsd 0013171 |
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7.2285 7.2252 6.2624 90 90 90 *Pmmn |
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.25 .25 0 |
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atom x y z |
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Rb1 .25 .25 .480 |
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Rb2 .25 .75 .518 |
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Al1 0 0 0 |
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F1 .25 -.0304 0 |
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F2 .040 .25 .0330 |
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F3 -.001 -.0186 .2786 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al F4 Rb |
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Bulou A, Nouet J |
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Journal of Physics C: Solid State Physics 15 (1982) 183-196 |
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Structural phase transitions in ferroelastic RbAlF4: I. DSC, X-ray powder diffraction |
|
investigations and neutron powder profile refinement of the structures |
|
_cod_database_code 1000457 |
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_database_code_amcsd 0013172 |
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7.2124 7.2073 6.2396 90 90 90 *Pmmn |
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.25 .25 0 |
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atom x y z |
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Rb1 .25 .25 .487 |
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Rb2 .25 .75 .533 |
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Al1 0 0 0 |
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F1 .25 -.0356 -.021 |
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F2 .0396 .25 .0350 |
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F3 -.0098 -.0232 .2786 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KAlF4 |
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Gibaud A, Le Bail A, Bulou A |
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Journal of Physics C: Solid State Physics 19 (1986) 4623-4633 |
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A re-investigation of the room-temperature phase of KAlF4: evidence |
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of antiphase domains |
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_cod_database_code 1000125 |
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_database_code_amcsd 0013176 |
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5.0424 5.0424 6.1564 90 90 90 P4/mbm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .5 .0127 .0127 .0243 .0077 0 0 |
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Al 0 0 0 .0035 .0035 .0113 0 0 0 |
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F1 0 0 .2830 .0238 .0238 .0135 0 0 0 |
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F2 .2984 .7984 0 .0049 .0049 .0320 -.0028 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KAlF4 |
| |
Gibaud A, Le Bail A, Bulou A |
| |
Journal of Physics C: Solid State Physics 19 (1986) 4623-4633 |
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A re-investigation of the room-temperature phase of KAlF4: evidence |
|
of antiphase domains |
|
_cod_database_code 1000126 |
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_database_code_amcsd 0013177 |
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5.0431 5.0431 6.1567 90 90 90 P4/mbm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .5 .0157 .0157 .0211 .0001 0 0 |
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Al 0 0 0 .0061 .0061 .0033 0 0 0 |
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F1 0 0 .2843 .0324 .0324 -.0006 0 0 0 |
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F2 .2986 .7986 0 .0058 .0058 .0333 -.0044 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KAlF4 |
| |
Gibaud A, Le Bail A, Bulou A |
| |
Journal of Physics C: Solid State Physics 19 (1986) 4623-4633 |
|
A re-investigation of the room-temperature phase of KAlF4: evidence |
|
of antiphase domains |
|
_cod_database_code 1000127 |
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_database_code_amcsd 0013178 |
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5.0432 5.0432 6.1573 90 90 90 P4/mbm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .5 .0160 .0160 .0199 .0024 0 0 |
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Al 0 0 0 .0054 .0054 .0044 0 0 0 |
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F1 0 0 .2859 .0345 .0345 -.0019 0 0 0 |
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F2 .294 .794 0 .0128 .0128 .0352 -.0105 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Al F3 |
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Daniel P, Bulou A, Rousseau M, Nouet J, Fourquet J, Leblanc M, Burriel R |
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Journal of Physics: Condensed Matter 2 (1990) 5663-5677 |
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A study of the structural phase transitions in Al F3: X-ray powder |
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diffraction, DSC and Raman scattering investigations of the lattice |
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dynamics and phonon spectrum |
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_cod_database_code 1000467 |
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_database_code_amcsd 0013259 |
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4.9305 4.9305 12.4462 90 90 120 R-3c |
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atom x y z |
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Al1 0 0 0 |
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F1 .4275 0 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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F4 Fe Rb |
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Moron M, Bulou A, Pique C, Fourquet J |
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Journal of Physics: Condensed Matter 2 (1990) 8269-8275 |
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Structural phase transitions in Rb Fe F4: I.Powder and single crystal |
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X-ray diffraction study of the room temperature phase |
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_cod_database_code 1000439 |
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_database_code_amcsd 0013260 |
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7.6651 7.6316 6.2789 90 90 90 Pmab |
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atom x y z |
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Fe1 0 0 0 |
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Rb1 .25 .2824 .5136 |
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F1 0 .25 -.0711 |
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F2 .25 -.0093 -.0630 |
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F3 .0410 .0497 .2889 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NH4AlF4 |
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Bulou A, Leble A, Hewat A |
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Materials Research Bulletin 17 (1982) 391-397 |
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NH4AlF4: Determination of the Ordered and Disordered Structures by |
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Neutron Powder Profile Refinement |
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_cod_database_code 1000182 |
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_database_code_amcsd 0014295 |
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5.0875 5.0875 12.7319 90 90 90 I4/mcm |
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atom x y z occ |
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N1 0 .5 .25 |
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H1 -.0015 .3303 .2043 .5 |
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Al1 0 0 0 |
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F1 0 0 .1386 |
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F2 .2102 .7102 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NH4AlF4 |
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Bulou A, Leble A, Hewat A |
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Materials Research Bulletin 17 (1982) 391-397 |
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NH4AlF4: Determination of the Ordered and Disordered Structures by |
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Neutron Powder Profile Refinement |
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_cod_database_code 1000183 |
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_database_code_amcsd 0014296 |
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5.0564 5.0564 12.7113 90 90 90 P4_2/mbc |
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atom x y z |
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N1 0 0 .25 |
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H1 .0017 .8310 .2030 |
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Al1 0 .5 0 |
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F1 0 .5 .1394 |
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F2 .2957 .2980 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F3 V |
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Daniel P, Bulou A, Leblanc M, Rousseau M, Nouet J |
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Materials Research Bulletin 25 (1990) 413-420 |
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Structural and vibrational study of V F3 |
|
_cod_database_code 1000468 |
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_database_code_amcsd 0014345 |
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5.168 5.168 13.438 90 90 120 R-3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V1 0 0 0 .0051 .0051 .0060 .00255 0 0 |
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F1 .4001 0 .25 .0122 .0106 .0132 .0053 -.0027 -.0054 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al F4 H4 N |
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Fourquet J, Plet F, Courbion G, Bulou A, de Pape R |
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Revue de Chimie Minerale 16 (1979) 490-500 |
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Etude de la filiation structurale des phases M(I)AlF4 |
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(M(I) = K, Rb, Tl, N H4, Cs) |
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_cod_database_code 1000199 |
|
_database_code_amcsd 0015388 |
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5.078 5.078 12.715 90 90 90 I-4c2 |
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atom x y z |
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N1 0 .5 .25 |
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Al1 0 0 0 |
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F1 0 0 .1386 |
|
F2 .2097 .7097 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
RbAlF4 |
| |
Fourquet J, Plet F, Courbion G, Bulou A, de Pape R |
| |
Revue de Chimie Minerale 16 (1979) 490-500 |
|
Etude de la filiation structurale des phases M(I)AlF4 (M(I) = K,Rb,Tl,NH4,Cs) |
|
_cod_database_code 1000496 |
|
_database_code_amcsd 0015389 |
|
5.125 5.125 6.283 90 90 90 P4/mbm |
|
atom x y z |
|
Rb1 0 .5 .5 |
|
Al1 0 0 0 |
|
F1 .237 .737 0 |
|
F2 0 0 .273 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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