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BaZnF4 |
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Lapasset J, Bordallo H, Almairac R, Nouet J |
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Zeitschrift fur Kristallographie 211 (1996) 934-935 |
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Crystal structures of barium zincate fluoride, BaZnF4 at 295 and 113 K |
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_cod_database_code 1000421 |
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_database_code_amcsd 0011068 |
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4.1974 14.546 5.8391 90 90 90 Cmc2_1 |
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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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Ba1 .5 .35235 .46262 .00653 .01860 .01464 0 0 .00668 |
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Zn1 0 .41317 0 .0092 .0086 .0084 0 0 .0007 |
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F1 0 .3017 .2003 .018 .0101 .0136 0 0 .0009 |
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F2 0 .3326 -.2705 .0117 .021 .015 0 0 -.007 |
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F3 0 .4715 .3241 .022 .0111 .016 0 0 -.0054 |
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F4 .5 .4227 .0118 .0078 .040 .024 0 0 .009 |
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BaZnF4 |
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Lapasset J, Bordallo H, Almairac R, Nouet J |
| |
Zeitschrift fur Kristallographie 211 (1996) 934-935 |
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Crystal structures of barium zincate fluoride, BaZnF4 at 295 and 113 K |
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_cod_database_code 1000422 |
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_database_code_amcsd 0011069 |
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4.1843 14.496 5.8253 90 90 90 Cmc2_1 |
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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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Ba1 .5 .35232 .46138 .00257 .00830 .00660 0 0 .00306 |
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Zn1 0 .41301 0 .0035 .00402 .0039 0 0 .00019 |
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F1 0 .3020 .1997 .0095 .0052 .0068 0 0 .0004 |
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F2 0 .3331 -.2708 .0074 .0085 .0055 0 0 -.0002 |
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F3 0 .4709 .3256 .0102 .0046 .0092 0 0 -.0024 |
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F4 .5 .4225 .0126 .0048 .0161 .0126 0 0 .0041 |
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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 |
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_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 |
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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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|
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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 |
|
|
| Download AMC data (View Text File)
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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 |
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|
| 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 |
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investigations and neutron powder profile refinement of the structures |
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_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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|
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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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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 |
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_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) |
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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
|
| |
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