American Mineralogist Crystal Structure Database

91 matching records for this search.

Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22
 
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=51&spage=18
Acta Crystallographica B51 (1995) 18-22
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
_cod_database_code 1001657
_database_code_amcsd 0009884
3.8271 3.8271 12.385 90 90 90 P4/mmm
atom     x  y      z occ
Tl1  .0859  0      0 .25
Ca1     .5 .5     .5 .78
Tl2     .5 .5     .5 .22
Ba1     .5 .5 .21450 .52
Sr1     .5 .5 .21450 .48
Cu1      0  0  .3685
O1      .5  0  .3755
O2       0  0  .1629
O3      .5 .5      0
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22
 
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=51&spage=18
Acta Crystallographica B51 (1995) 18-22
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
_cod_database_code 1001658
_database_code_amcsd 0009885
3.8356 3.8356 12.390 90 90 90 P4/mmm
atom     x  y      z occ
Tl1  .0949  0      0 .25
Ca1     .5 .5     .5 .78
Tl2     .5 .5     .5 .22
Ba1     .5 .5 .21615 .52
Sr1     .5 .5 .21615 .48
Cu1      0  0  .3698
O1      .5  0  .3744
O2       0  0  .1621
O3      .5 .5      0
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22
 
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=51&spage=18
Acta Crystallographica B51 (1995) 18-22
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
_cod_database_code 1001659
_database_code_amcsd 0009886
3.8234 3.8234 12.384 90 90 90 P4/mmm
atom     x  y     z occ
Tl1  .0862  0     0 .25
Ca1     .5 .5    .5 .78
Tl2     .5 .5    .5 .22
Ba1     .5 .5 .2128 .52
Sr1     .5 .5 .2128 .48
Cu1      0  0 .3675
O1      .5  0 .3749
O2       0  0  .164
O3      .5 .5     0
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Ba3 Cu2 Hg O10 Sr Tl2
 
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B
 
Chemistry of Materials 6 (1994) 1654-1658
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
_cod_database_code 1000369
_database_code_amcsd 0012201
3.8289 3.8289 41.75699 90 90 90 I4/mmm
atom  x  y     z occ
Hg1   0  0     0
Tl1   0  0 .2237
Cu1   0  0 .1135
Ba1  .5 .5 .0664 .75
Sr1  .5 .5 .0664 .25
Ba2  .5 .5 .1596 .75
Sr2  .5 .5 .1596 .25
O1    0  0  .050
O2   .5  0  .114
O3    0  0  .174
O4   .5 .5  .228
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Ca0.81 Cu2 O7 Sr2 Tl1.19
 
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B
 
Chemistry of Materials 7 (1995) 1414-1418
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
_cod_database_code 1001666
_database_code_amcsd 0012204
3.7966 3.7966 12.092 90 90 90 P4/mmm
atom     x  y     z occ
Tl1  .0793  0     0 .25
Ca1     .5 .5    .5 .81
Tl2     .5 .5    .5 .19
Sr1     .5 .5 .2165
Cu1      0  0 .3642
O1       0 .5 .3714
O2       0  0  .166
O3      .5 .5     0
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Ca0.81 Cu2 O7 Sr2 Tl1.19
 
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B
 
Chemistry of Materials 7 (1995) 1414-1418
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
_cod_database_code 1001667
_database_code_amcsd 0012205
3.7808 3.7808 12.0855 90 90 90 P4/mmm
atom     x  y     z occ
Tl1  .0701  0     0 .25
Ca1     .5 .5    .5 .81
Tl2     .5 .5    .5 .19
Sr1     .5 .5 .2130
Cu1      0  0 .3622
O1       0 .5 .3709
O2       0  0 .1667
O3      .5 .5     0
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Tl3(CrO4)Sr8Cu4O16
 
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B
 
Chemistry of Materials 8 (1996) 865-873
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long-
range ordering between thallium and chromium
_cod_database_code 1001725
_database_code_amcsd 0012210
3.778 15.244 17.67699 90 90 90 Amm2
atom  x    y     z
Tl1   0 .218     0
Tl2   0    0     0
Cr1   0    0    .5
Cu1   0    0 .7471
Cu2   0    0 .2529
Cu3   0  .25   .25
Sr1  .5 .121 .1523
Sr2  .5 .366 .1474
Sr3  .5 .134 .3526
Sr4  .5 .378 .3477
O1   .5    0  .267
O2   .5    0  .733
O3   .5  .25   .25
O4    0 .125 .2562
O5    0 .125 .7438
O6    0    0  .102
O7    0    0  .430
O8    0    0  .570
O9    0    0  .898
O10   0  .25  .108
O11   0  .25  .892
O12  .5 .125     0
O13  .5 .109    .5
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Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85
 
Barnabe A, Letouze F, Pelloquin D, Maignan A, Hervieu M, Raveau B
 
Chemistry of Materials 9 (1997) 2205-2211
A new superconducting oxycarbonitrate: (Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7
_cod_database_code 1001789
_database_code_amcsd 0012212
3.8320 3.8320 16.41119 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .102  0     0 .2125
Cr1  .102  0     0 .0375
Sr1    .5 .5 .1592
Sr2    .5 .5 .3723
Cu1     0  0 .2630
C1      0  0    .5    .5
N1      0  0    .5    .5
O1     .5 .5     0
O2      0  0 .1226
O3   .141  0 .4306   .25
O4   .332  0    .5   .25
O5     .5  0 .2719
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Ba2 Ca2 Cu3 O8.84 Tl0.93
 
Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 27-32
Tl Ba2-x Ca2+x Cu3 O10-y : un supraconducteur a 120 K, nouveau
terme d'une grande famille d'intercroissances de couches multiples
types chlorure de sodium et de couches multiples de type perovskite
deficitaires en oxygene
_cod_database_code 1001373
_database_code_amcsd 0012301
3.844 3.844 15.88 90 90 90 P4/mmm
atom  x  y     z occ
Tl1   0  0    .5 .93
Ba1  .5 .5 .3259
Ca1  .5 .5  .092
Cu1   0  0     0
Cu2   0  0 .1934
O1    0 .5     0
O2    0  0   .10 .32
O3    0 .5  .204 .80
O4    0  0  .328
O5   .5 .5    .5
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Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001704
_database_code_amcsd 0012314
5.4364 5.4462 7.6755 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0056 .0306   .25  .7
Ca1  .0056 .0306   .25  .2
Sr1  .0056 .0306   .25  .1
Mn1     .5     0     0
O1   .0681 .4889   .25
O2   .7172 .2838 .0351
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Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001705
_database_code_amcsd 0012315
5.4363 5.4462 7.6768 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0056 .0306   .25  .7
Ca1  .0056 .0306   .25  .2
Sr1  .0056 .0306   .25  .1
Mn1     .5     0     0
O1   .0677 .4890   .25
O2   .7171 .2841 .0351
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Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001706
_database_code_amcsd 0012316
5.4369 5.4467 7.6799 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0057 .0304   .25  .7
Ca1  .0057 .0304   .25  .2
Sr1  .0057 .0304   .25  .1
Mn1     .5     0     0
O1   .0677 .4888   .25
O2   .7170 .2843 .0351
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Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001707
_database_code_amcsd 0012317
5.4390 5.4521 7.6839 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0053 .0309   .25  .7
Ca1  .0053 .0309   .25  .2
Sr1  .0053 .0309   .25  .1
Mn1     .5     0     0
O1   .0678 .4882   .25
O2   .7171 .2856 .0362
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Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001708
_database_code_amcsd 0012318
5.4356 5.4549 7.6936 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0060 .0290   .25  .7
Ca1  .0060 .0290   .25  .2
Sr1  .0060 .0290   .25  .1
Mn1     .5     0     0
O1   .0668 .4885   .25
O2   .7171 .2846 .0359
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Ba Cu O6 Sr Tl2
 
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18
The influence of alkaline-earth ions on the properties of the "2201"
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d
_cod_database_code 1001521
_database_code_amcsd 0012561
3.7988 3.7988 22.7109 90 90 90 I4/mmm
atom    x  y     z occ
Tl1  .042  0 .2019 .25
Ba1    .5 .5 .0830  .5
Sr1    .5 .5 .0830  .5
Cu1     0  0     0
O1      0 .5     0
O2      0  0  .107
O3    .62  0  .207 .25
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Cu O6 Sr2 Tl2
 
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18
The influence of alkaline-earth ions on the properties of the "2201"
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d
_cod_database_code 1001522
_database_code_amcsd 0012562
3.7464 3.7464 22.3013 90 90 90 I4/mmm
atom    x  y     z occ
Tl1  .044  0 .2009 .25
Sr1    .5 .5 .0806
Cu1     0  0     0
O1      0 .5     0
O2      0  0  .107
O3    .58  0  .206 .25
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Cu1.85 Fe0.3 O10 Sr4 Tl0.85
 
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990
Stabilisation of a thallium oxycarbonate by trivalent iron:
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7
_cod_database_code 1001793
_database_code_amcsd 0012611
3.8246 3.8246 16.5069 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .069  0     0 .2125
Fe1  .069  0     0 .0175
Cu1  .069  0     0   .02
Sr1    .5 .5 .1587
Sr2    .5 .5 .3737
Cu2     0  0 .2634  .885
Fe2     0  0 .2634  .115
C1      0  0    .5
O1    .53 .5     0   .25
O2      0  0  .123
O3   .146  0  .418   .25
O4    .34  0    .5   .25
O5     .5  0  .271
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Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31
 
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
_cod_database_code 1001794
_database_code_amcsd 0012613
3.8687 3.8687 12.496 90 90 90 P4/mmm
atom    x    y     z   occ
Hg1     0    0     0   .69
V1     .1    0     0 .0775
Ba1    .5   .5 .2179  .975
Sr1    .5   .5 .2179  .025
Ca1    .5   .5    .5
Cu1     0    0 .3769
O1      0   .5  .378
O2      0    0  .148
O3   .365 .365     0   .25
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Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33
 
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
_cod_database_code 1001795
_database_code_amcsd 0012614
3.8643 3.8643 12.445 90 90 90 P4/mmm
atom    x    y     z   occ
Hg1     0    0     0   .67
V1     .1    0     0 .0825
Ba1    .5   .5 .2182   .85
Sr1    .5   .5 .2182   .15
Ca1    .5   .5    .5
Cu1     0    0 .3733
O1      0   .5  .376
O2      0    0  .147
O3   .365 .365     0   .25
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Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31
 
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
_cod_database_code 1001796
_database_code_amcsd 0012615
3.8628 3.8628 12.407 90 90 90 P4/mmm
atom    x    y     z   occ
Hg1     0    0     0   .69
V1     .1    0     0 .0775
Ba1    .5   .5 .2168  .795
Sr1    .5   .5 .2168  .205
Ca1    .5   .5    .5    .9
Sr2    .5   .5    .5    .1
Cu1     0    0 .3715
O1      0   .5  .370
O2      0    0  .148
O3   .365 .365     0   .25
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Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31
 
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
_cod_database_code 1001797
_database_code_amcsd 0012616
3.8601 3.8601 12.350 90 90 90 P4/mmm
atom    x    y     z   occ
Hg1     0    0     0   .69
V1     .1    0     0 .0775
Ba1    .5   .5 .2171  .665
Sr1    .5   .5 .2171  .335
Ca1    .5   .5    .5   .87
Sr2    .5   .5    .5   .13
Cu1     0    0 .3699
O1      0   .5  .368
O2      0    0  .151
O3   .365 .365     0   .25
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Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31
 
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
_cod_database_code 1001798
_database_code_amcsd 0012617
3.8575 3.8575 12.295 90 90 90 P4/mmm
atom    x    y     z   occ
Hg1     0    0     0   .69
V1     .1    0     0 .0775
Ba1    .5   .5 .2155  .565
Sr1    .5   .5 .2155  .435
Ca1    .5   .5    .5    .8
Sr2    .5   .5    .5    .2
Cu1     0    0 .3670
O1      0   .5  .368
O2      0    0  .147
O3   .365 .365     0   .25
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Ba Bi Cu La O6 Pb
 
Pham A, Michel C, Hervieu M, Maignan A, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 65-71
Substitution of lead for bismuth in the 2201-type oxide
Bi2BaLaCuO6+d
_cod_database_code 1001550
_database_code_amcsd 0013237
5.4028 5.4745 24.515 90 90 90 Fmmm
atom    x    y     z occ
Bi1  .033    0 .1897 .25
Pb1  .033    0 .1897 .25
Ba1     0    0 .4247  .5
La1     0    0 .4247  .5
Cu1     0    0     0
O1    .25  .25     0
O2      0    0 .0968
O3   .094 .110 .3067 .25
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Ba Cu2 Nd O7 Sr Tl
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001523
_database_code_amcsd 0013238
3.8798 3.8798 12.2573 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .081  0     0 .25
Ba1    .5 .5 .2084  .5
Sr1    .5 .5 .2084  .5
Nd1    .5 .5    .5
Cu1     0  0 .3609
O1      0 .5  .376
O2      0  0  .174
O3     .5 .5     0
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Cu2 Nd O7 Sr2 Tl
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001524
_database_code_amcsd 0013239
3.8503 3.8503 12.0724 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .069  0     0 .25
Sr1    .5 .5 .2092
Nd1    .5 .5    .5
Cu1     0  0 .3581
O1      0 .5  .366
O2      0  0  .176
O3     .5 .5     0
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Ba Cu2 O7 Sr Tl Y
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001525
_database_code_amcsd 0013240
3.8421 3.8421 12.2064 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .085  0     0 .25
Ba1    .5 .5 .2098  .5
Sr1    .5 .5 .2098  .5
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .391
O2      0  0  .179
O3     .5 .5     0
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Cu2 O7 Sr2 Tl Y
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001526
_database_code_amcsd 0013241
3.8157 3.8157 11.9963 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .060  0     0 .25
Sr1    .5 .5 .2101
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .378
O2      0  0  .173
O3     .5 .5     0
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Ba2 Ca1.9 Cu3 O10.94 Tl1.82
 
Hervieu M, Michel C, Maignan A, Martin C, Raveau B
 
Journal of Solid State Chemistry 74 (1988) 428-432
The 125 K Superconductor Tl2-x Ba2 Ca2 Cu3 O10+d: A Tentative
Structural Model
_cod_database_code 1001366
_database_code_amcsd 0013617
3.85 3.85 35.6 90 90 90 I4/mmm
atom x  y     z  occ
Tl1  0  0 .2185 .879
Ba1  0  0 .6428
Ca1  0  0 .5432  .97
Tl2  0  0 .5432  .03
Cu1  0  0     0
Cu2  0  0 .0995
O1   0 .5     0
O2   0  0  .049  .47
O3   0 .5  .095
O4   0  0  .155
O5   0  0  .718
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Ba2 Ca Cu2 O7 Tl
 
Hervieu M, Maignan A, Martin C, Michel C, Provost J, Raveau B
 
Journal of Solid State Chemistry 75 (1988) 212-215
A New Member of the Thallium Superconductive Series. The "1212" Oxide
Tl Ba2 Ca Cu2 O8-y: Importance of Oxygen Content
_cod_database_code 1001367
_database_code_amcsd 0013619
3.833 3.833 12.68 90 90 90 P4/mmm
atom  x  y    z occ
Tl1  .5 .5   .5
Ba1   0  0 .287
Tl2   0  0    0  .1
Ca1   0  0    0  .9
Cu1  .5 .5 .130 .95
O1    0 .5 .125
O2   .5 .5 .323
O3    0  0   .5
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Ba2 Ca Cu2 O8 Tl2
 
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B
 
Journal of Solid State Chemistry 96 (1992) 271-286
Thallium nonstoichiometry in 2212-thallium cuprate
_cod_database_code 1001532
_database_code_amcsd 0013724
3.8565 3.8565 29.3122 90 90 90 I4/mmm
atom  x  y     z  occ
Tl1  .5 .5 .2134 .915
Ca1  .5 .5 .2134 .085
Ba1   0  0 .1216
Ca2   0  0     0  .83
Tl2   0  0     0  .17
Cu1  .5 .5 .0535
O1    0 .5 .0508
O2   .5 .5 .1428
O3   .5 .5 .2793
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Ba2 Ca Cu2 O8 Tl1.81
 
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B
 
Journal of Solid State Chemistry 96 (1992) 271-286
Thallium nonstoichiometry in 2212-thallium cuprate
_cod_database_code 1001533
_database_code_amcsd 0013725
3.8489 3.8489 29.3153 90 90 90 I4/mmm
atom  x  y     z  occ
Tl1  .5 .5 .2132 .860
Ca1  .5 .5 .2132 .045
Ba1   0  0 .1213
Ca2   0  0     0  .91
Tl2   0  0     0  .09
Cu1  .5 .5 .0545
O1    0 .5 .0510
O2   .5 .5 .1461
O3   .5 .5 .2838
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Ba2 Cu2 Hg1.88 O10 Pr2
 
Huve M, Martin C, Maignan A, Michel C, Van Tendeloo G, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 114 (1995) 230-235
A new cuprate with mercury bilayers: the "2222" oxide
Hg2-xMxBa2Pr2Cu2O10-d (M=Cu,Pr)
_cod_database_code 1001639
_database_code_amcsd 0013835
3.9072 3.9072 17.21919 90 90 90 *P4/nmm
.25 -.25 0
atom   x   y     z occ
Hg1  .75 .75 .4377 .94
Cu1  .75 .75 .1743
Ba1  .25 .25 .2916
Pr1  .25 .25 .0762
O1   .25 .75     0
O2   .75 .25  .175
O3   .75 .75  .312
O4   .25 .25  .448
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Ba2 Cu2 Eu3 Mn2 O12
 
Hervieu M, Michel C, Genouel R, Maignan A, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 1-6
The layered manganocuprate Eu3 Ba2 Mn2 Cu2 O12 : an intergrowth between
the "123" and "0201" structures
_cod_database_code 1001645
_database_code_amcsd 0013840
3.8826 3.8826 35.26599 90 90 90 I4/mmm
atom  x y     z
Eu1   0 0    .5
Eu2   0 0 .7127
Ba1   0 0 .6049
Cu1   0 0 .0470
Mn1   0 0 .1664
O1   .5 0 .0409
O2    0 0 .1144
O3   .5 0 .1732
O4    0 0  .220
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Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7
 
Hervieu M, Van Tendeloo G, Michel C, Martin C, Maignan A, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 525-531
Synthesis and characterization of mercury-based "1222" cuprates
(Hg1-xMx) (Sr,Ba)2 Pr2 Cu2 O9-d
_cod_database_code 1001650
_database_code_amcsd 0013858
3.8642 3.8642 29.56799 90 90 90 I4/mmm
atom x  y     z occ
Hg1  0  0     0  .3
Tl1  0  0     0  .7
Sr1  0  0 .5847
Pr1  0  0 .7055
Cu1  0  0 .1480
O1   0  0  .068
O2   0 .5 .1482
O3   0 .5   .25
O4   0  0    .5
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Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4
 
Maignan A, Martin C, Michel C, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 116 (1995) 347-354
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide
Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d
_cod_database_code 1001652
_database_code_amcsd 0013864
3.7352 7.5749 17.9657 90 90 90 Ammm
atom  x    y     z occ
Hg1   0    0     0  .8
Cu1   0    0     0  .2
Ce1   0   .5     0
La1  .5  .25 .1477  .3
Sr1  .5  .25 .1477  .7
Cu2   0    0   .25
O1    0    0 .1124
O2    0    0 .6124
O3   .5    0   .25
O4    0  .25   .25
O5   .5 .340     0
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Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y
 
Seshadri R, Maignan A, Hervieu M, Martin C, Raveau B, Rao C
 
Journal of Solid State Chemistry 127 (1996) 64-71
Substitution of chromium for univalent copper in superconducting
Pb2Sr2(Ca,Y)Cu3O8+d
_cod_database_code 1001749
_database_code_amcsd 0013903
5.3860 5.4195 15.720 90 90 90 Cmmm
atom   x   y     z  occ
Pb1    0  .5 .3870 .875
Ca1    0  .5 .3870   .1
Sr1    0   0 .2208
Y1     0   0     0
Cu1    0   0    .5  .85
Cr1    0   0    .5  .15
Cu2    0  .5 .1084
O1     0  .5 .2625
O2     0   0  .385
O3   .25 .25 .1007
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Ba3 Cu3 O19 Sr5 Tl5
 
Letouze F, Martin C, Hervieu M, Michel C, Maignan A, Raveau B
 
Journal of Solid State Chemistry 128 (1997) 150-155
A new structure related to the layered cuprates: the "1201" shear-like
phase Tl5Ba3Sr5Cu3O19, third member of the series (TlA2CuO5)m . (Tl2A2O4)
_cod_database_code 1001803
_database_code_amcsd 0013914
3.7536 30.631 9.219 90 90 90 A2mm
atom  x     y     z  occ
Tl1   0     0    .5
Tl2   0 .1128    .5
Tl3   0 .2397    .5
Ba1  .5 .0615 .2011 .275
Sr1  .5 .0615 .2011 .725
Ba2  .5 .1844 .2152 .475
Sr2  .5 .1844 .2152 .525
Cu1   0     0     0
Cu2   0 .1212     0
O1   .5     0     0
O2   .5 .1212     0
O3    0     0  .263
O4    0 .1212  .263
O5    0 .0606     0
O6   .5  .056    .5
O7   .5  .176    .5
O8    0   .25   .25
O9    0  .186     0
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Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53
 
Hervieu M, Michel C, Pelloquin D, Maignan A, Raveau B
 
Journal of Solid State Chemistry 132 (1997) 420-431
A bismuth manganite with the "2212" structure: Bi2-xPbxSr1.5Ca1.5Mn2O9-d
_cod_database_code 1001814
_database_code_amcsd 0013939
5.3594 5.3443 30.976 90 90 90 Abmm
atom    x   y     z occ
Bi1  .761   0 .0493 .75
Pb1  .761   0 .0493 .25
Sr1   .75  .5 .1296 .35
Ca1   .75  .5 .1296 .65
Sr2   .75  .5   .25 .83
Ca2   .75  .5   .25 .17
Mn1  .761   0 .1873
O1   .871  .5 .0493
O2    .75   0  .119
O3     .5 .25 .1803
O4      0 .25 .1803
O5    .75   0   .25
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Ba2 Ce0.15 Cu Hg0.85 O4.15
 
Letouze F, Huve M, Martin C, Maignan A, Michel C, Hervieu M, Raveau B
 
Materials Research Bulletin 31 (1996) 657-663
Introduction of lanthanide on the mercury site of the HgBa2CuO4 superconductor
_cod_database_code 1001755
_database_code_amcsd 0014374
3.8801 3.8801 9.495 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0 .85
Ce1   0  0     0 .15
Ba1  .5 .5 .2985
Cu1   0  0    .5
O1   .5  0    .5
O2    0  0  .202
O3   .5 .5     0 .15
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Cu2 O10 Pb0.5 Sr4 Tl0.5
 
Hervieu M, Michel C, Huve M, Martin C, Maignan A, Raveau B
 
Microscopy, Microanalysis, Microstructures 4 (1993) 41-50
High resolution electron microscopy study of the high Tc
superconductor Tl0.5Pb0.5Sr4Cu2CO3O7
_cod_database_code 1001597
_database_code_amcsd 0014410
3.8244 3.8244 16.51599 90 90 90 P4/mmm
atom    x  y     z  occ
Tl1  .083  0     0 .125
Pb1  .083  0     0 .125
Sr1    .5 .5 .1596
Sr2    .5 .5 .3725
Cu1     0  0 .2654
C1      0  0    .5
O1    .67 .5     0  .25
O2      0  0  .121
O3   .162  0  .414  .25
O4   .316  0    .5  .25
O5     .5  0  .277
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Ba2 Ca1.07 Cu2 O8 Tl1.93
 
Maignan A, Michel C, Hervieu M, Martin C, Groult D, Raveau B
 
Modern Physics Letters B 2 (1988) 681-687
Tl2Ba2CaCu2O8: structure and superconductivity
_cod_database_code 1001420
_database_code_amcsd 0014653
3.86 3.86 29.388 90 90 90 I4/mmm
atom  x  y     z occ
Tl1  .5 .5 .2147  .9
Ca1  .5 .5 .2147  .1
Ba1   0  0 .1220
Ca2   0  0     0 .87
Tl2   0  0     0 .13
Cu1  .5 .5 .0558
O1    0 .5  .053
O2   .5 .5  .145
O3   .5 .5  .297
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Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001484
_database_code_amcsd 0015022
3.85638 3.85638 12.6534 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0846  0     0 .240
Ba1     .5 .5 .2147
Ca1     .5 .5    .5   .8
Nd1     .5 .5    .5   .2
Cu1      0  0 .3717
O1       0 .5 .3779
O2       0  0 .1594
O3   .5524 .5     0 .215
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Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001485
_database_code_amcsd 0015023
3.87677 3.87677 12.6045 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0771  0     0 .237
Ba1     .5 .5 .2134
Ca1     .5 .5    .5   .5
Nd1     .5 .5    .5   .5
Cu1      0  0 .3696
O1       0 .5 .3780
O2       0  0 .1613
O3   .5712 .5     0 .215
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Ba2 Cu2 Nd O6.96 Tl0.96
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001486
_database_code_amcsd 0015024
3.91021 3.91021 12.4916 90 90 90 P4/mmm
atom     x  y     z occ
Tl1  .0717  0     0 .24
Ba1     .5 .5 .2055
Nd1     .5 .5    .5
Cu1      0  0 .3633
O1       0 .5 .3785
O2       0  0 .1662
O3   .6199 .5     0 .24
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Ba1.6 Cu2 La2.4 O9 Tl
 
Martin C, Maignan A, Huve M, Hervieu M, Michel C, Raveau B
 
Physica C 179 (1991) 1-8
TlBa2-xLa2+xCu2O9+d: a new 42K superconductor, intergrowth of
"1201" and "0201" structures
_cod_database_code 1001483
_database_code_amcsd 0015025
3.8110 3.8110 31.556 90 90 90 I4/mmm
atom  x  y     z occ
Tl1   0  0     0
Ba1  .5 .5 .0850  .8
La1  .5 .5 .0850  .2
La2  .5 .5 .2044
Cu1   0  0 .1466
O1   .5 .5     0
O2    0  0  .063
O3   .5  0 .1458
O4    0  0  .218
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Cu La O5 Sr Tl
 
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B
 
Physica C 179 (1991) 214-226
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range,
structure and superconductivity
_cod_database_code 1001487
_database_code_amcsd 0015026
3.7796 3.7796 8.8466 90 90 90 P4/mmm
atom  x  y     z occ
Tl1   0  0    .5
Sr1  .5 .5 .2058  .5
La1  .5 .5 .2058  .5
Cu1   0  0     0
O1    0  0  .263
O2   .5 .5    .5
O3   .5  0     0
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Cu La0.6 O5 Sr1.4 Tl
 
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B
 
Physica C 179 (1991) 214-226
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range,
structure and superconductivity
_cod_database_code 1001488
_database_code_amcsd 0015027
3.7535 3.7535 8.9038 90 90 90 P4/mmm
atom  x  y     z occ
Tl1   0  0    .5
Sr1  .5 .5 .2061  .7
La1  .5 .5 .2061  .3
Cu1   0  0     0
O1    0  0  .259
O2   .5 .5    .5
O3   .5  0     0
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Cu La0.7 O5 Sr Tl1.3
 
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B
 
Physica C 179 (1991) 214-226
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range,
structure and superconductivity
_cod_database_code 1001489
_database_code_amcsd 0015028
3.7713 3.7713 8.8676 90 90 90 P4/mmm
atom  x  y     z occ
Tl1   0  0    .5
Sr1  .5 .5 .2044  .5
La1  .5 .5 .2044 .35
Tl2  .5 .5 .2044 .15
Cu1   0  0     0
O1    0  0  .281
O2   .5 .5    .5
O3   .5  0     0
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Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001490
_database_code_amcsd 0015029
3.8602 3.8602 11.6646 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1857
Cu1   0  0     0  .91
Fe1   0  0     0  .09
Cu2   0  0 .3566
O1    0 .5 .3771
O2    0  0 .1579
O3    0 .5     0 .505
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Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001491
_database_code_amcsd 0015030
3.8604 3.8604 11.6725 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .88
Ca1  .5 .5    .5  .12
Ba1  .5 .5 .1863
Cu1   0  0     0  .88
Fe1   0  0     0  .12
Cu2   0  0 .3571
O1    0 .5 .3770
O2    0  0 .1578
O3    0 .5     0 .490
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Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001492
_database_code_amcsd 0015031
3.8608 3.8608 11.6653 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5 .85
Ca1  .5 .5    .5 .15
Ba1  .5 .5 .1873
Cu1   0  0     0 .85
Fe1   0  0     0 .15
Cu2   0  0 .3578
O1    0 .5 .3764
O2    0  0 .1553
O3    0 .5     0 .56
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Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001493
_database_code_amcsd 0015032
3.8637 3.8637 11.6899 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .76
Ca1  .5 .5    .5  .24
Ba1  .5 .5 .1892
Cu1   0  0     0  .76
Fe1   0  0     0  .24
Cu2   0  0 .3588
O1    0 .5 .3761
O2    0  0 .1551
O3    0 .5     0 .520
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Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001494
_database_code_amcsd 0015033
3.8588 3.8588 11.8199 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1952
Cu1   0  0     0
Cu2   0  0 .3611 .955
Fe1   0  0 .3611 .045
O1    0 .5 .3783
O2    0  0 .1526
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Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001495
_database_code_amcsd 0015034
3.8616 3.8616 11.8163 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5 .76
Ca1  .5 .5    .5 .24
Ba1  .5 .5 .1957
Cu1   0  0     0
Cu2   0  0 .3610 .88
Fe1   0  0 .3610 .12
O1    0 .5 .3775
O2    0  0 .1526
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Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001496
_database_code_amcsd 0015035
3.8227 3.8227 11.6689 90 90 90 Pmmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1846
Cu1   0  0     0
Cu2   0  0 .3549 .955
Fe1   0  0 .3549 .045
O1    0 .5 .3782
O2   .5  0 .3771
O3    0  0 .1587
O4   .5  0     0  .92
O5    0 .5     0  .13
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Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001497
_database_code_amcsd 0015036
3.8263 3.8263 11.6643 90 90 90 Pmmm
atom  x  y     z occ
Y1   .5 .5    .5 .76
Ca1  .5 .5    .5 .24
Ba1  .5 .5 .1841
Cu1   0  0     0
Cu2   0  0 .3544 .88
Fe1   0  0 .3544 .12
O1    0 .5 .3766
O2   .5  0 .3760
O3    0  0 .1592
O4   .5  0     0 .93
O5    0 .5     0 .14
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Ba2 Ce0.5 Cu2 Eu1.5 O9 Tl
 
Liu R, Hervieu M, Michel C, Maignan A, Martin C, Raveau B, Edwards P
 
Physica C 197 (1992) 131-135
TlBa2(Eu,Ce)2Cu2O9+d, a new member of the double fluorite-type
cuprate family. Structure and possible induced superconductivity by
oxygen high-pressure annealing
_cod_database_code 1001540
_database_code_amcsd 0015037
3.8784 3.8784 30.415 90 90 90 I4/mmm
atom    x  y     z occ
Tl1  .082  0     0 .25
Ba1    .5 .5 .0872
Eu1    .5 .5 .2087 .75
Ce1    .5 .5 .2087 .25
Cu1     0  0 .1520
O1      0 .5 .1554
O2      0  0 .0831
O3     .5 .5     0
O4      0 .5   .25
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Ba Ca2 Cu3 O9 Sr Tl
 
Martin C, Huve M, Hervieu M, Maignan A, Michel C, Raveau B
 
Physica C 201 (1992) 362-368
A 116K superconductor with "1223" structure: TlBaSrCa2Cu3O9-d
_cod_database_code 1001515
_database_code_amcsd 0015039
3.8316 3.8316 15.5926 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .084  0     0 .25
Cu1     0  0    .5
Cu2     0  0 .2892
Ba1    .5 .5 .1698  .5
Sr1    .5 .5 .1698  .5
Ca1    .5 .5 .3939
O1     .5  0    .5
O2     .5  0  .302
O3      0  0  .126
O4     .5 .5     0
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Cu2 O10 Pb0.5 Sr4 Tl0.5
 
Huve M, Michel C, Maignan A, Hervieu M, Martin C, Raveau B
 
Physica C 205 (1993) 219-224
A 70 K superconductor. The oxycarbonate Tl0.5Pb0.5Sr4Cu2(CO3)O7
_cod_database_code 1001579
_database_code_amcsd 0015040
3.8244 3.8244 16.516 90 90 90 P4/mmm
atom    x  y     z  occ
Tl1  .083  0     0 .125
Pb1  .083  0     0 .125
Sr1    .5 .5 .1596
Sr2    .5 .5 .3725
Cu1     0  0 .2654
C1      0  0    .5
O1    .67 .5     0  .25
O2      0  0  .121
O3   .162  0  .414  .25
O4   .316  0    .5  .25
O5     .5  0  .277
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Cu2 Gd2 O9 Pb0.5 Sr2 Tl0.5
 
Vijayaraghavan R, Michel C, Maignan A, Hervieu M, Martin C, Raveau B, Rao C
 
Physica C 206 (1993) 81-89
Structure and properties of Tl0.5Pb0.5Sr2Gd2-xCexCu2O9-d
_cod_database_code 1001580
_database_code_amcsd 0015041
3.8385 3.8385 29.5815 90 90 90 I4/mmm
atom    x  y     z  occ
Tl1  .055  0     0 .125
Pb1  .055  0     0 .125
Sr1     0  0 .5866
Gd1     0  0 .7062
Cu1     0  0 .1493
O1      0  0 .0734
O2      0 .5 .1487
O3      0 .5   .25
O4     .5 .5     0
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Ce0.4 Cu2 Gd1.6 O9 Pb0.5 Sr2 Tl0.5
 
Vijayaraghavan R, Michel C, Maignan A, Hervieu M, Martin C, Raveau B, Rao C
 
Physica C 206 (1993) 81-89
Structure and properties of Tl0.5Pb0.5Sr2Gd2-xCexCu2O9-d
_cod_database_code 1001581
_database_code_amcsd 0015042
3.8429 3.8429 29.5096 90 90 90 I4/mmm
atom    x  y     z  occ
Tl1  .027  0     0 .125
Pb1  .027  0     0 .125
Sr1     0  0 .5878
Gd1     0  0 .7076   .8
Ce1     0  0 .7076   .2
Cu1     0  0 .1477
O1      0  0 .0734
O2      0 .5 .1484
O3      0 .5   .25
O4     .5 .5     0
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Bi2 Cu2 O11 Sr4
 
Pelloquin D, Caldes M, Maignan A, Michel C, Hervieu M, Raveau B
 
Physica C 208 (1993) 121-129
The bismuth oxycarbonate Bi2Sr4Cu2CO3O8. A new superconductor
with a Tc of 30 K
_cod_database_code 1001583
_database_code_amcsd 0015044
5.466 5.460 39.500 90 90 90 Abmm
atom    x    y    z occ
Bi1   .25    0  .04
Sr1   .75    0 .109
Sr2   .75    0 .197
Cu1   .25    0 .155
C1    .25    0  .25
O1    .75    0  .04
O2    .25    0   .1
O3      0  .25  .15
O4     .5  .25  .15
O5    .25    0  .22  .5
O6      0  .25  .25  .5
O7     .5  .25  .25  .5
O8   .082 .168  .25  .5
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Bi0.5 Cu2 O10 Sr4 Tl0.5
 
Maignan A, Huve M, Michel C, Hervieu M, Martin C, Raveau B
 
Physica C 208 (1993) 149-154
A 55 K superconducting copper oxycarbonate: Tl1-xBixSr4Cu2CO3O7
_cod_database_code 1001584
_database_code_amcsd 0015045
3.8309 3.8309 16.518 90 90 90 P4/mmm
atom    x  y     z  occ
Tl1  .077  0     0 .125
Bi1  .077  0     0 .125
Sr1    .5 .5 .1608
Sr2    .5 .5 .3733
Cu1     0  0 .2641
C1      0  0    .5
O1    .67 .5     0  .25
O2      0  0  .125
O3    .13  0  .426  .25
O4    .34  0    .5  .25
O5     .5  0  .268
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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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Bi2 Cu3 O16 Sr5
 
Pelloquin D, Maignan A, Caldes M, Hervieu M, Michel C, Raveau B
 
Physica C 212 (1993) 199-205
The bismuth oxycarbonate Bi2Sr6-xCu3O10(CO3)2. A new 40K
superconductor, second member of the series
(Bi2Sr2CuO6)n(Sr2CuO2CO3)n'
_cod_database_code 1001571
_database_code_amcsd 0015053
5.469 5.483 54.26 90 90 90 Fmmm
atom   x   y    z  occ
Bi1    0   0 .221
Sr1    0   0 .671 .833
Sr2    0   0 .604 .833
Sr3    0   0 .534 .833
Cu1    0   0 .137
Cu2    0   0    0
C1     0   0 .069
O1     0   0 .721
O2     0   0 .171
O3     0   0 .104
O4     0   0 .034
O5   .25 .25 .137
O6   .25 .25    0
O7   .17 .17 .069  .25
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Ba2 Ca0.4 Cu2 Hg0.73 O6.6 Y0.6
 
Maignan A, Van Tendeloo G, Hervieu M, Michel C, Raveau B
 
Physica C 212 (1993) 239-244
A new "1212" mercury-based 90K superconductor: Y0.6Ca0.4Ba2(Hg1-xMx)Cu2O6+y
_cod_database_code 1001572
_database_code_amcsd 0015054
3.870 3.870 12.537 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0 .73
Ba1  .5 .5 .2137
Y1   .5 .5    .5  .6
Ca1  .5 .5    .5  .4
Cu1   0  0 .3728
O1    0  0  .163
O2    0 .5  .385
O3   .5 .5     0  .6
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Ba4 Cu2 Hg O10 Tl2
 
Martin C, Huve M, Van Tendeloo G, Maignan A, Michel C, Hervieu M, Raveau B
 
Physica C 212 (1993) 274-278
A mercury-based superconducting cuprate, intergrowth of the 2201 and
1201 structures Tl2HgBa4Cu2O10+y
_cod_database_code 1001575
_database_code_amcsd 0015055
3.8584 3.8584 42.2031 90 90 90 I4/mmm
atom  x  y     z
Hg1   0  0     0
Tl1   0  0 .2240
Cu1   0  0 .1134
Ba1  .5 .5 .0673
Ba2  .5 .5 .1598
O1    0  0  .050
O2   .5  0  .114
O3    0  0  .180
O4   .5 .5  .229
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Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5
 
Pelloquin D, Michel C, Van Tendeloo G, Maignan A, Hervieu M, Raveau B
 
Physica C 214 (1993) 87-92
A new "1201" mercury cuprate. The 27K-superconductor Hg0.5Bi0.5Sr2-xLaxCuO5-d
_cod_database_code 1001573
_database_code_amcsd 0015056
3.7753 3.7753 8.8765 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0  .5
Bi1   0  0     0  .5
Sr1  .5 .5 .2948 .75
La1  .5 .5 .2948 .25
Cu1   0  0    .5
O1   .5  0    .5
O2    0  0  .228
O3   .5 .5     0
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Bi0.5 Ca0.4 Cu2 Hg0.5 Nd0.6 O6.6 Sr2
 
Pelloquin D, Hervieu M, Michel C, Van Tendeloo G, Maignan A, Raveau B
 
Physica C 216 (1993) 257-263
A 94K Hg-based superconductor with a "1212" structure
Hg0.5Bi0.5Sr2Ca1-xRxCu2O6+d (R=Nd,Y,Pr)
_cod_database_code 1001574
_database_code_amcsd 0015058
3.8259 3.8259 12.0029 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0  .5
Bi1   0  0     0  .5
Sr1  .5 .5 .2121
Cu1   0  0 .3592
Ca1  .5 .5    .5  .4
Nd1  .5 .5    .5  .6
O1   .5  0  .373
O2    0  0  .167
O3   .5 .5     0  .6
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Bi1.5 Cu2 O11 Pb0.5 Sr3.5
 
Pelloquin D, Caldes M, Michel C, Maignan A, Hervieu M, Raveau B
 
Physica C 217 (1993) 27-33
Lead substitution in the 30K-superconductor Bi2Sr4-yCu2CO3O8-d
_cod_database_code 1001577
_database_code_amcsd 0015059
5.468 5.427 39.530 90 90 90 Abmm
atom    x   y     z occ
Bi1   .25   0 .0383 .75
Pb1   .25   0 .0383 .25
Sr1   .75   0 .1073 .75
Sr2   .75   0 .1970
Cu1   .25   0 .1546
C1    .25   0   .25
O1   .669   0 .0377
O2   .196   0 .0933
O3   .168   0 .2184
O4      0 .25 .1539
O5     .5 .25 .1539
O6      0   0   .25  .5
O7     .5   0   .25  .5
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Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16
 
Martin C, Maignan A, Huve M, Labbe P, Ledesert M, Leligny H, Raveau B
 
Physica C 217 (1993) 106-112
A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K.
A single-crystal study.
_cod_database_code 1001576
_database_code_amcsd 0015060
3.8274 3.8274 15.524 90 90 90 P4/mmm
atom     x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .0872  0     0 .25   .046   .024   .081      0      0      0
Cu1      0  0    .5      .0067  .0067   .009      0      0      0
Cu2      0  0 .2902      .0078  .0078   .011      0      0      0
Ba1     .5 .5 .1690 .36  .0070  .0070  .0097      0      0      0
Sr1     .5 .5 .1690 .64  .0070  .0070  .0097      0      0      0
Ca1     .5 .5 .3931 .92  .0065  .0065   .010      0      0      0
Tl2     .5 .5 .3931 .08  .0065  .0065   .010      0      0      0
O1      .5  0    .5       .004   .026   .021      0      0      0
O2      .5  0 .2964       .006   .009   .020      0      0      0
O3       0  0  .131       .021   .021   .012      0      0      0
O4      .5 .5     0       .030   .030   .004      0      0      0
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Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2
 
Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B
 
Physica C 222 (1994) 19-26
Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x
Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7
_cod_database_code 1001631
_database_code_amcsd 0015062
3.8116 3.8116 12.1337 90 90 90 P4/mmm
atom    x  y     z  occ
Pb1  .065  0     0 .175
Hg1  .065  0     0 .075
Sr1    .5 .5 .2145
Nd1    .5 .5    .5  .23
Ca1    .5 .5    .5  .77
Cu1     0  0 .3609
O1     .5 .5     0
O2      0  0  .168
O3      0 .5  .371
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Cu2 Hg0.3 O10 Pb0.7 Sr4
 
Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B
 
Physica C 222 (1994) 19-26
Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x
Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7
_cod_database_code 1001632
_database_code_amcsd 0015063
3.8242 3.8242 16.46809 90 90 90 P4/mmm
atom    x  y     z  occ
Pb1  .069  0     0 .175
Hg1  .069  0     0 .075
Sr1    .5 .5 .1583
Sr2    .5 .5 .3733
Cu1     0  0 .2631
C1      0  0    .5
O1     .5 .5     0
O2      0  0  .123
O3     .5  0  .270
O4   .153  0  .428  .25
O5   .332  0    .5  .25
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Bi0.5 Cu2 Hg0.545 O9.72 Sr4
 
Pelloquin D, Hervieu M, Michel C, Maignan A, Raveau B
 
Physica C 227 (1994) 215-224
A new superconducting oxycarbonate Bi0.5 Hg0.5 Sr4 Cu2 (C O3) O7-d
_cod_database_code 1001633
_database_code_amcsd 0015067
3.8265 3.8265 16.4742 90 90 90 P4/mmm
atom    x  y     z  occ
Hg1     0  0     0   .5
Bi1     0  0     0   .5
Sr1    .5 .5 .1579
Sr2    .5 .5 .3714
Cu1     0  0 .2643
C1      0  0    .5 .955
Hg2     0  0    .5 .045
O1     .5 .5     0  .72
O2      0  0  .118
O3   .151  0  .425  .25
O4   .675  0    .5  .25
O5     .5  0 .2721
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Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78
 
Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B
 
Physica C 232 (1994) 387-395
(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal.
A structural and magnetic study
_cod_database_code 1001634
_database_code_amcsd 0015068
3.7922 3.7922 12.0661 90 90 90 P4/mmm
atom     x    y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .0575    0     0 .1675   .031  .0137  .0046      0      0      0
Bi1  .0575    0     0 .0825   .031  .0137  .0046      0      0      0
Ca1     .5   .5    .5   .89  .0083  .0083  .0091      0      0      0
Tl2     .5   .5    .5   .11  .0083  .0083  .0091      0      0      0
Sr1     .5   .5 .2170        .0101  .0101  .0124      0      0      0
Cu1      0    0 .3642        .0058  .0058  .0106      0      0      0
O1       0   .5 .3693         .012   .010   .014      0      0      0
O2       0    0 .1660         .016   .016   .010      0      0      0
O3    .411 .411     0   .25   .016   .016    .02   -.01      0      0
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Cu2 Hg0.52 Mo0.48 O9.21 Sr4
 
Pelloquin D, Hervieu M, Malo S, Michel C, Maignan A, Raveau B
 
Physica C 246 (1995) 1-10
Two transition-metal-substituted superconducting mercury-based
oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)
_cod_database_code 1001636
_database_code_amcsd 0015070
3.8448 3.8448 16.31729 90 90 90 P4/mmm
atom    x  y     z occ
Hg1     0  0     0 .52
Mo1     0  0     0 .48
Sr1    .5 .5 .1573
Sr2    .5 .5 .3759
Cu1     0  0 .2657
C1      0  0    .5
O1     .5 .5     0 .21
O2      0  0 .1183
O3      0  0 .4238
O4   .675  0    .5 .25
O5     .5  0 .2807
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Cr0.54 Cu2 Hg0.46 O9.88 Sr4
 
Pelloquin D, Hervieu M, Malo S, Michel C, Maignan A, Raveau B
 
Physica C 246 (1995) 1-10
Two transition-metal-substituted superconducting mercury-based
oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)
_cod_database_code 1001637
_database_code_amcsd 0015071
3.8747 3.8747 16.15549 90 90 90 P4/mmm
atom   x   y     z occ
Hg1    0   0     0 .46
Cr1    0   0     0 .54
Sr1   .5  .5 .1579
Sr2   .5  .5 .3720
Cu1    0   0 .2668
C1     0   0    .5
O1    .5  .5     0 .88
O2     0   0 .1205
O3     0   0  .425
O4   .25 .25    .5 .25
O5    .5   0 .2783
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Cu2 Hg0.57 O9.6 Sr4 V0.43
 
Maignan A, Pelloquin D, Malo S, Michel C, Hervieu M, Raveau B
 
Physica C 249 (1995) 220-233
Stabilisation of three new oxycarbonates by V and Cr substitutions. The
superconductors (Tl,M)1Sr4Cu2(CO3)O7 (M= Cr, V) and (Hg,V)1Sr4Cu2(CO3)O6+z
_cod_database_code 1001692
_database_code_amcsd 0015072
3.8505 3.8505 16.23999 90 90 90 P4/mmm
atom    x  y     z occ
Hg1     0  0     0 .57
V1      0  0     0 .43
Sr1    .5 .5 .1568
Sr2    .5 .5 .3754
Cu1     0  0 .2656
C1      0  0    .5
O1     .5 .5     0  .6
O2      0  0 .1169
O3      0  0 .4166
O4   .675  0    .5 .25
O5     .5  0 .2798
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Cu Mo0.2 O5 Sr2 Tl0.8
 
Letouze F, Martin C, Maignan A, Michel C, Hervieu M, Raveau B
 
Physica C 254 (1995) 33-43
Stabilization of new superconducting thallium cuprates and
oxycarbonates by molybdenum
_cod_database_code 1001716
_database_code_amcsd 0015073
3.7511 3.7511 8.939 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .061  0    .5  .2
Mo1  .061  0    .5 .05
Cu1     0  0     0
Sr1    .5 .5 .2034
O1   .628 .5    .5 .25
O2     .5  0     0
O3      0  0  .278
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Cu2 Mo0.2 O10 Sr4 Tl0.8
 
Letouze F, Martin C, Maignan A, Michel C, Hervieu M, Raveau B
 
Physica C 254 (1995) 33-43
Stabilization of new superconducting thallium cuprates and
oxycarbonates by molybdenum
_cod_database_code 1001717
_database_code_amcsd 0015074
3.8251 3.8251 16.42899 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .077  0     0  .2
Mo1  .077  0     0 .05
Sr1    .5 .5 .1590
Sr2    .5 .5  .374
Cu1     0  0 .2655
C1      0  0    .5
O1   .617 .5     0 .25
O2     .5  0 .2688
O3      0  0 .1196
O4   .134  0  .425 .25
O5   .355  0    .5 .25
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Ba2 Bi0.22 Cu Hg0.78 O4.28
 
Pelloquin D, Maignan A, Guesdon A, Hardy V, Raveau B
 
Physica C 265 (1996) 5-12
Single crystal study of the "1201" superconductor Hg0.8Bi0.2Ba2CuO4+d
_cod_database_code 1001762
_database_code_amcsd 0015078
3.8800 3.8800 9.492 90 90 90 P4/mmm
atom   x   y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1    0   0     0 .78  .0167  .0167  .0074      0      0      0
Bi1    0   0     0 .22  .0167  .0167  .0074      0      0      0
Ba1   .5  .5 .2963       .076   .076  .0074      0      0      0
Cu1    0   0    .5      .0034  .0034   .007      0      0      0
O1    .5   0    .5       .007   .011  .0010      0      0      0
O2     0   0  .209       .027   .027   .006      0      0      0
O3   .38 .38     0 .07
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Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499
 
Michel C, Hervieu M, Martin C, Maignan A, Huve M, Raveau B
 
Physica C 271 (1996) 111-121
Modulated ordering of bismuth and strontium in the "1201" cuprate
(Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d
_cod_database_code 1001763
_database_code_amcsd 0015079
3.7619 3.7619 8.9984 90 90 90 P4/mmm
atom    x    y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .062    0    .5 .1625
Bi1  .062    0    .5  .080
Sr1    .5   .5 .2018  .930  .0069  .0069  .0209      0      0      0
Bi2    .5   .5 .2018  .070  .0069  .0069  .0209      0      0      0
Cu1     0    0     0
O1     .5    0     0   .98  .0017  .0069  .0242      0      0      0
O2   .412 .412    .5  .255  .0129  .0129  .0193 -.0028      0      0
O3      0    0 .2779 1.005  .0152  .0152  .0041      0      0      0
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Ba2 Cu1.16 Hg0.84 O4.19
 
Pelloquin D, Hardy V, Maignan A, Raveau B
 
Physica C 273 (1997) 205-212
Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d:
growth, structure and magnetism
_cod_database_code 1001764
_database_code_amcsd 0015080
3.8845 3.8845 9.5237 90 90 90 P4/mmm
atom  x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1   0  0     0 .84  .0126  .0126  .0041      0      0      0
Cu1   0  0  .044 .08   .002   .002   .000      0      0      0
Ba1  .5 .5 .2989      .0063  .0063  .0176      0      0      0
Cu2   0  0    .5       .003   .003   .021      0      0      0
O1   .5  0    .5
O2    0  0  .207 .93
O3   .5 .5     0 .05
O4   .5  0   .10 .07
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Ba Cu Hg0.67 O4.66 Sr V0.33
 
Knizek K, Malo S, Michel C, Hervieu M, Maignan A, Raveau B
 
Physica C 277 (1997) 119-132
The 1201 superconductors Hg(1-y) (V O4)(y) (Ba, Sr)2 Cu O(4-2y+delta):
evidence for VO4 tetrahedra
_cod_database_code 1001819
_database_code_amcsd 0015081
3.8523 3.8523 9.077 90 90 90 P4/mmm
atom    x    y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1     0    0     0  .67  .0201  .0201  .0086      0      0      0
V1   .100    0     0 .083
Ba1    .5   .5 .2932   .5  .0084  .0084  .0161      0      0      0
Sr1    .5   .5 .2932   .5  .0084  .0084  .0161      0      0      0
Cu1     0    0    .5       .0053  .0053   .012      0      0      0
O1     .5    0    .5        .005   .012   .015      0      0      0
O2      0    0  .216        .033   .033   .056      0      0      0
O3   .364 .364     0 .165
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Ba1.5 Cu3 La1.5 O7.02
 
Domenges B, Hervieu M, Michel C, Maignan A, Raveau B
 
Physica Status Solidi, Sectio A: Applied Research 107 (1988) 73-84
La3 Ba3 Cu6 O14+x: A Single Phase Or A Mixture?
_cod_database_code 1001376
_database_code_amcsd 0015112
3.9098 3.9098 11.7058 90 90 90 P4/mmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La1  .5 .5    .5        .15    .15   1.11      0      0      0
La2  .5 .5 .1816 .25    .76    .76   2.36      0      0      0
Ba1  .5 .5 .1816 .75    .76    .76   2.36      0      0      0
Cu1   0  0     0       2.85   2.85    .26      0      0      0
Cu2   0  0 .3452        .38    .38    .28      0      0      0
O1    0  0 .1577 .94   3.45   3.45     .0      0      0      0
O2    0 .5 .3638        .64    .65   1.26      0      0      0
O3    0 .5     0 .57  11.56   3.71   1.30      0      0      0
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La0.9125 Mn O3
 
Maignan A, Michel C, Hervieu M, Raveau B
 
Solid State Communications 101 (1997) 277-281
A monoclinic manganite, La0.9 Mn O(3-delta), with colossal
magnetoresistance properties near room temperature
_cod_database_code 1001820
_database_code_amcsd 0015490
7.790 5.526 5.479 90 90.78 90 I2/a
atom   x    y    z   occ
La1  .25 .502    0 .9125
Mn1    0    0    0
O1   .25    0    0
O2     0 .205 .294
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Total number of retrieved datasets: 91
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