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Hf0.4 O3 Pb Ti0.6 |
| |
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M |
 |
Acta Crystallographica B55 (1999) 8-16 |
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Temperature-dependent neutron powder diffraction evidence for splitting |
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of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 |
|
_cod_database_code 1009025 |
|
_database_code_amcsd 0016887 |
|
3.999 3.999 4.120 90 90 90 P4mm |
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atom x y z occ |
|
Pb1 0 0 0 |
|
Hf1 .5 .5 .539 .42 |
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Ti1 .5 .5 .499 .58 |
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O1 .5 .5 .095 |
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O2 .5 0 .615 |
|
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| Download AMC data (View Text File)
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|
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Hf0.4 O3 Pb Ti0.6 |
| |
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M |
|
Acta Crystallographica B55 (1999) 8-16 |
|
Temperature-dependent neutron powder diffraction evidence for splitting |
|
of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 |
|
_cod_database_code 1009026 |
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_database_code_amcsd 0016888 |
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4.012 4.012 4.100 90 90 90 P4mm |
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atom x y z occ |
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Pb1 0 0 0 |
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Hf1 .5 .5 .535 .42 |
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Ti1 .5 .5 .495 .58 |
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O1 .5 .5 .079 |
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O2 .5 0 .597 |
|
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| Download AMC data (View Text File)
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|
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Hf0.4 O3 Pb Ti0.6 |
| |
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M |
|
Acta Crystallographica B55 (1999) 8-16 |
|
Temperature-dependent neutron powder diffraction evidence for splitting |
|
of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 |
|
_cod_database_code 1009027 |
|
_database_code_amcsd 0016889 |
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4.046 4.046 4.046 90 90 90 Pm3m |
|
atom x y z occ |
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Pb1 0 0 0 |
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Hf1 .5 .5 .5 .42 |
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Ti1 .5 .5 .54 .097 |
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O1 .5 .5 0 |
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| Download AMC data (View Text File)
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|
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Batiferrite |
 |
Krezhov K, Somogyvari Z, Meszaros G, Svab E, Nedkov I, Bouree F |
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Applied Physics A74 (2002) S1086-S1088 |
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Neutron powder diffraction study of (Co,Ti)-substituted fine-particle |
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Ba-hexaferrite |
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Locality: synthetic |
|
_database_code_amcsd 0012030 |
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5.8846 5.8846 23.175 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Ba 2/3 1/3 .25 .73 |
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FeM1 0 0 0 .66 |
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FeM2 0 0 .2596 .5 .41 |
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FeM3 1/3 2/3 .0272 .893 .25 |
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CoM3 1/3 2/3 .0272 .107 .25 |
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FeM4 1/3 2/3 .1895 .893 .60 |
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TiM4 1/3 2/3 .1895 .107 .60 |
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FeM5 .1682 .3364 .8927 .786 .48 |
|
CoM5 .1682 .3364 .8927 .107 .48 |
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TiM5 .1682 .3364 .8927 .107 .48 |
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O1 0 0 .1514 .47 |
|
O2 1/3 2/3 .9434 .54 |
|
O3 .1836 .3672 .25 .44 |
|
O4 .1561 .3122 .0527 .50 |
|
O5 .5002 .0004 .1502 .47 |
|
|
| Download AMC data (View Text File)
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|
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|
BiPbBaLaCuO6 |
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Michel C, Pelloquin D, Hervieu M, Raveau B, Bouree F |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 991-996 |
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Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO6 |
|
_cod_database_code 1001570 |
|
_database_code_amcsd 0012585 |
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5.4071 5.4895 24.549 90 90 90 Pnan |
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atom x y z occ |
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Bi1 -.0052 .2666 .0605 .5 |
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Pb1 -.0052 .2666 .0605 .5 |
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Ba1 .0089 .75 .1756 .5 |
|
La1 .0089 .75 .1756 .5 |
|
Cu1 .5 .75 .25 |
|
O1 .75 0 .25 |
|
O2 .4966 .7814 .1464 |
|
O3 .9025 .6450 .0696 .5 |
|
O4 .0975 .6450 .0696 .5 |
|
|
| Download AMC data (View Text File)
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|
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Ba Cu Fe O5 Y |
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Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B |
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Journal of Solid State Chemistry 114 (1995) 24-35 |
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Crystal and magnetic structure of Y Ba Cu Fe O5 |
|
_cod_database_code 1001640 |
|
_database_code_amcsd 0013833 |
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3.8751 3.8751 7.6790 90 90 90 P4/mmm |
|
atom x y z occ |
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Y1 0 0 .5 |
|
Ba1 0 0 0 |
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Cu1 .5 .5 .2854 .5 |
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Fe1 .5 .5 .2525 .5 |
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O1 .5 .5 0 |
|
O2 .5 0 .3156 |
|
|
| Download AMC data (View Text File)
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|
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Strontium oxalate |
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Vanhoyland G, Bouree F, Van Bael M K, Mullens J, Van Poucke L C |
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Journal of Solid State Chemistry 157 (2001) 283-288 |
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Structure determination and refinement of acid strontium oxalate from X-ray |
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and neutron powder diffraction |
|
_cod_database_code 1000002 |
|
_database_code_amcsd 0013996 |
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6.341 16.880 5.7798 90 97.60 90 P2_1/n |
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atom x y z |
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Sr .8786 .4184 .7385 |
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O1 .6171 .2290 .1597 |
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O2 .6749 .2813 .7532 |
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Ow3 .8613 .5630 .5715 |
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O4 .7759 .5072 .0679 |
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O5 .5734 .1682 .5661 |
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O6 .5139 .5549 .2612 |
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O7 .6978 .3493 .3315 |
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C1 .6300 .2384 .5765 |
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C2 .5849 .5177 .0912 |
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C3 .6495 .2790 .3378 |
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Hw1 .7804 .0700 .0219 |
|
Hw2 .6317 .1041 .8019 |
|
H3 .1473 .2456 .5027 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86 |
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Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
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Physica C 210 (1993) 164-172 |
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Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
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A neutron diffraction study |
|
_cod_database_code 1001586 |
|
_database_code_amcsd 0015047 |
|
3.8618 3.8618 11.6910 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .86 |
|
Ca1 .5 .5 .5 .14 |
|
Ba1 .5 .5 .1872 |
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Cu1 0 0 0 .88 |
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Co1 0 0 0 .12 |
|
Cu2 0 0 .3575 |
|
O1 0 .5 .3770 |
|
O2 0 0 .1562 |
|
O3 .046 .5 0 .240 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001587 |
|
_database_code_amcsd 0015048 |
|
3.8649 3.8649 11.7053 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .82 |
|
Ca1 .5 .5 .5 .18 |
|
Ba1 .5 .5 .1897 |
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Cu1 0 0 0 .76 |
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Co1 0 0 0 .24 |
|
Cu2 0 0 .3588 |
|
O1 0 .5 .3767 |
|
O2 0 0 .1544 |
|
O3 .058 .5 0 .250 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001588 |
|
_database_code_amcsd 0015049 |
|
3.8646 3.8646 11.7257 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .73 |
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Ca1 .5 .5 .5 .27 |
|
Ba1 .5 .5 .1903 |
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Cu1 0 0 0 .7 |
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Co1 0 0 0 .3 |
|
Cu2 0 0 .3600 |
|
O1 0 .5 .3762 |
|
O2 0 0 .1536 |
|
O3 .062 .5 0 .250 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001589 |
|
_database_code_amcsd 0015050 |
|
3.8690 3.8690 11.6982 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .85 |
|
Ca1 .5 .5 .5 .15 |
|
Ba1 .5 .5 .1912 |
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Cu1 0 0 0 .64 |
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Co1 0 0 0 .36 |
|
Cu2 0 0 .3598 |
|
O1 0 .5 .3763 |
|
O2 0 0 .1527 |
|
O3 .066 .5 0 .2625 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001590 |
|
_database_code_amcsd 0015051 |
|
3.8424 3.8810 11.6821 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .85 |
|
Ca1 .5 .5 .5 .15 |
|
Ba1 .5 .5 .1858 |
|
Cu1 0 0 0 .89 |
|
Co1 0 0 0 .11 |
|
Cu2 0 0 .3565 .995 |
|
Co2 0 0 .3565 .005 |
|
O1 0 .5 .3785 |
|
O2 .5 0 .3754 |
|
O3 0 0 .1577 |
|
O4 .051 .5 0 .395 |
|
O5 .5 .051 0 .11 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001591 |
|
_database_code_amcsd 0015052 |
|
3.8666 3.8666 11.6726 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .73 |
|
Ca1 .5 .5 .5 .27 |
|
Ba1 .5 .5 .1886 |
|
Cu1 0 0 0 .73 |
|
Co1 0 0 0 .27 |
|
Cu2 0 0 .3585 .955 |
|
Co2 0 0 .3585 .045 |
|
O1 0 .5 .3758 |
|
O2 0 0 .1564 |
|
O3 .059 .5 0 .2625 |
|
|
| 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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