American Mineralogist Crystal Structure Database

13 matching records for this search.

Hf0.4 O3 Pb Ti0.6
 
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=55&spage=8
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 1009025
_database_code_amcsd 0016887
3.999 3.999 4.120 90 90 90 P4mm
atom  x  y    z occ
Pb1   0  0    0
Hf1  .5 .5 .539 .42
Ti1  .5 .5 .499 .58
O1   .5 .5 .095
O2   .5  0 .615
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Hf0.4 O3 Pb Ti0.6
 
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=55&spage=8
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
_database_code_amcsd 0016888
4.012 4.012 4.100 90 90 90 P4mm
atom  x  y    z occ
Pb1   0  0    0
Hf1  .5 .5 .535 .42
Ti1  .5 .5 .495 .58
O1   .5 .5 .079
O2   .5  0 .597
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Hf0.4 O3 Pb Ti0.6
 
Muller C, Baudour J, Madigou V, Bouree F, Kiat J, Favotto C, Roubin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=55&spage=8
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
4.046 4.046 4.046 90 90 90 Pm3m
atom  x  y   z  occ
Pb1   0  0   0
Hf1  .5 .5  .5  .42
Ti1  .5 .5 .54 .097
O1   .5 .5   0
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Batiferrite
Download hom/batiferrite.pdf
Krezhov K, Somogyvari Z, Meszaros G, Svab E, Nedkov I, Bouree F
 
Applied Physics A74 (2002) S1086-S1088
Neutron powder diffraction study of (Co,Ti)-substituted fine-particle
Ba-hexaferrite
Locality: synthetic
_database_code_amcsd 0012030
5.8846 5.8846 23.175 90 90 120 P6_3/mmc
atom     x     y     z  occ Biso
Ba     2/3   1/3   .25       .73
FeM1     0     0     0       .66
FeM2     0     0 .2596   .5  .41
FeM3   1/3   2/3 .0272 .893  .25
CoM3   1/3   2/3 .0272 .107  .25
FeM4   1/3   2/3 .1895 .893  .60
TiM4   1/3   2/3 .1895 .107  .60
FeM5 .1682 .3364 .8927 .786  .48
CoM5 .1682 .3364 .8927 .107  .48
TiM5 .1682 .3364 .8927 .107  .48
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
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BiPbBaLaCuO6
 
Michel C, Pelloquin D, Hervieu M, Raveau B, Bouree F
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 991-996
Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO6
_cod_database_code 1001570
_database_code_amcsd 0012585
5.4071 5.4895 24.549 90 90 90 Pnan
atom      x     y     z occ
Bi1  -.0052 .2666 .0605  .5
Pb1  -.0052 .2666 .0605  .5
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
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Ba Cu Fe O5 Y
 
Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B
 
Journal of Solid State Chemistry 114 (1995) 24-35
Crystal and magnetic structure of Y Ba Cu Fe O5
_cod_database_code 1001640
_database_code_amcsd 0013833
3.8751 3.8751 7.6790 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Cu1  .5 .5 .2854  .5
Fe1  .5 .5 .2525  .5
O1   .5 .5     0
O2   .5  0 .3156
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Strontium oxalate
 
Vanhoyland G, Bouree F, Van Bael M K, Mullens J, Van Poucke L C
 
Journal of Solid State Chemistry 157 (2001) 283-288
Structure determination and refinement of acid strontium oxalate from X-ray
and neutron powder diffraction
_cod_database_code 1000002
_database_code_amcsd 0013996
6.341 16.880 5.7798 90 97.60 90 P2_1/n
atom     x     y     z
Sr   .8786 .4184 .7385
O1   .6171 .2290 .1597
O2   .6749 .2813 .7532
Ow3  .8613 .5630 .5715
O4   .7759 .5072 .0679
O5   .5734 .1682 .5661
O6   .5139 .5549 .2612
O7   .6978 .3493 .3315
C1   .6300 .2384 .5765
C2   .5849 .5177 .0912
C3   .6495 .2790 .3378
Hw1  .7804 .0700 .0219
Hw2  .6317 .1041 .8019
H3   .1473 .2456 .5027
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Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86
 
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 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
Cu1     0  0     0  .88
Co1     0  0     0  .12
Cu2     0  0 .3575
O1      0 .5 .3770
O2      0  0 .1562
O3   .046 .5     0 .240
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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
Cu1     0  0     0  .76
Co1     0  0     0  .24
Cu2     0  0 .3588
O1      0 .5 .3767
O2      0  0 .1544
O3   .058 .5     0 .250
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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
Ca1    .5 .5    .5  .27
Ba1    .5 .5 .1903
Cu1     0  0     0   .7
Co1     0  0     0   .3
Cu2     0  0 .3600
O1      0 .5 .3762
O2      0  0 .1536
O3   .062 .5     0 .250
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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
Cu1     0  0     0   .64
Co1     0  0     0   .36
Cu2     0  0 .3598
O1      0 .5 .3763
O2      0  0 .1527
O3   .066 .5     0 .2625
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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
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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
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Total number of retrieved datasets: 13
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