American Mineralogist Crystal Structure Database

30 matching records for this search.

Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001452
_database_code_amcsd 0012633
3.8128 3.8806 11.6303 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1826
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3542
O1    0  0 .1595
O2   .5  0 .3773
O3    0 .5 .3769
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001453
_database_code_amcsd 0012634
3.8124 3.8807 11.6303 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1830
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3543
O1    0  0 .1592
O2   .5  0 .3764
O3    0 .5 .3773
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001454
_database_code_amcsd 0012635
3.8131 3.8806 11.6329 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1827
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3547
O1    0  0 .1590
O2   .5  0 .3771
O3    0 .5 .3773
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001455
_database_code_amcsd 0012636
3.8141 3.8812 11.6395 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1827
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3545
O1    0  0 .1588
O2   .5  0 .3775
O3    0 .5 .3770
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001456
_database_code_amcsd 0012637
3.8164 3.8824 11.6546 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1841
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3547
O1    0  0 .1587
O2   .5  0 .3768
O3    0 .5 .3776
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001457
_database_code_amcsd 0012638
3.8206 3.8851 11.6757 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1841
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3549
O1    0  0 .1581
O2   .5  0 .3779
O3    0 .5 .3777
O4    0 .5     0
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Li0.93 O4 Ti2
 
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A
 
Journal of Alloys and Compounds 195 (1993) 81-84
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4
_cod_database_code 1008595
_database_code_amcsd 0016486
8.398 8.398 8.398 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
O1   .26261 .26261 .26261       .00614 .00614 .00614 -.00032 -.00032 -.00032
Li1    .125   .125   .125   .93  .0110  .0110  .0110       0       0       0
Ti1      .5     .5     .5 .9978 .00584 .00584 .00584 -.00083 -.00083 -.00083
Ti2       0      0      0 .0022 .00584 .00584 .00584 -.00083 -.00083 -.00083
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Li0.89 O4 Ti2
 
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A
 
Journal of Alloys and Compounds 195 (1993) 81-84
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4
_cod_database_code 1008596
_database_code_amcsd 0016487
8.387 8.387 8.387 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
O1   .26267 .26267 .26267       .00698 .00698 .00698 -.00020 -.00020 -.00020
Li1    .125   .125   .125   .89  .0120  .0120  .0120       0       0       0
Ti1      .5     .5     .5 .9925 .00689 .00689 .00689 -.00084 -.00084 -.00084
Ti2       0      0      0 .0075 .00689 .00689 .00689 -.00084 -.00084 -.00084
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Li0.86 O4 Ti2
 
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A
 
Journal of Alloys and Compounds 195 (1993) 81-84
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4
_cod_database_code 1008597
_database_code_amcsd 0016488
8.386 8.386 8.386 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
O1   .26220 .26220 .26220        .0077  .0077  .0077  .00000  .00000  .00000
Li1    .125   .125   .125   .86  .0108  .0108  .0108       0       0       0
Ti1      .5     .5     .5 .9816 .00802 .00802 .00802 -.00074 -.00074 -.00074
Ti2       0      0      0 .0184 .00802 .00802 .00802 -.00074 -.00074 -.00074
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Ba3.04 Bi3.37 K0.96 Na0.63 O12
 
Chaillout C, Durr J, Escribe-Filippini C, Fournier T, Marcus J, Marezio M
 
Journal of Solid State Chemistry 93 (1991) 63-68
Structure determination of a new perovskite phase in the Ba K-Bi-Na-O system
_cod_database_code 1008911
_database_code_amcsd 0016778
8.54 8.54 8.54 90 90 90 Im3m
atom     x   y   z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1    .25 .25 .25 .760  .0110  .0110  .0110 .00393 .00393 .00393
K1     .25 .25 .25 .240  .0110  .0110  .0110 .00393 .00393 .00393
Bi1      0   0   0 .369  .0039  .0039  .0039      0      0      0
Na1      0   0   0 .631  .0039  .0039  .0039      0      0      0
Bi2      0  .5  .5      .00286 .00306 .00306      0      0      0
O1   .2648   0   0        .006   .028   .028      0      0      0
O2     .25   0  .5        .004   .036   .036      0      0      0
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008644
_database_code_amcsd 0016533
5.55548 7.84868 5.55349 90 90 90 Pnma
atom     x     y     z
La1  .0295   .25 .9951
V1      .5     0     0
O1   .4880   .25 .0707
O2   .2831 .0387 .7168
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008645
_database_code_amcsd 0016534
5.55810 7.83421 5.54862 90 90 90 Pnma
atom     x     y     z
La1  .0318   .25 .9954
V1      .5     0     0
O1   .4876   .25 .0724
O2   .2848 .0392 .7168
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008646
_database_code_amcsd 0016535
5.59360 7.75951 5.56490 90 90 90.1250 P2_1/a
atom     x     y     z
La1  .0334   .25 .9924
V1      .5     0     0
V2       0    .5    .5
O1   .4885   .25 .0716
O2   .2789 .0377 .7134
O3   .7119 .5391 .2792
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008647
_database_code_amcsd 0016536
5.5917 7.7516 5.5623 90 90 90.129 P2_1/a
atom     x     y     z
La1  .0341   .25 .9917
V1      .5     0     0
V2       0    .5    .5
O1   .4900   .25 .0710
O2   .2776 .0381 .7144
O3   .7104 .5389 .2833
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Ba2 Cu Hg O4.12
 
Marezio M, Alexandre E, Bordet P, Capponi J, Chaillout C, Kopnin E,
Loureiro S, Radaelli P, Van Tendeloo G
 
Journal of Superconductivity 8 (1995) 507-510
Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d
_cod_database_code 1008723
_database_code_amcsd 0016607
3.87320 3.87320 9.48088 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      .0165  .0165  .0166      0      0      0
Ba1  .5 .5 .29520
Cu1   0  0     .5
O1   .5  0     .5
O2    0  0  .2068       .037   .037   .002      0      0      0
O3   .5 .5      0 .12
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Ba2 Cu4 O8.06 Y
 
Karpinski J, Kaldis E, Rusiecki S, Jilek E, Fischer P, Bordet P, Chaillout C,
Chenavas J, Hodeau J, Marezio M
 
Journal of the Less-Common Metals 150 (1989) 129-137
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba2
Cu3.5 O7+x (Tc 40K) and Y Ba2 Cu4 O8+x (Tc 80K)
_cod_database_code 1008448
_database_code_amcsd 0016353
3.8415 3.8707 27.240 90 90 90 Ammm
atom  x  y     z  occ
Y1   .5 .5     0
Ba1  .5 .5 .1356
Cu1   0  0 .2127
Cu2   0  0 .0614
O1    0  0 .1454
O2   .5  0 .0524
O3    0 .5 .0528
O4    0 .5 .2187 .996
O5   .5  0  .254 .032
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Cu La2 O4
 
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M,
Morosin B, Schirber J
 
Materials Research Society Symposia Proceedings 169 (1990) 47-52
Structural aspects of the phase separation in La2CuO4.032
_cod_database_code 1008572
_database_code_amcsd 0016463
5.350 13.148 5.398 90 90 90 Cmca
atom    x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1     0 .36111  .0069       .0055  .0030  .0022      0      0  .0002
Cu1     0      0      0       .0042  .0050  .0001      0      0      0
O1      0 .18307 -.0356 .943  .0077  .0040  .0123      0      0 -.0014
O2    .25 .99303    .75 .993  .0055  .0094  .0023      0  .0007      0
O3   .030   .182   .100 .024
O4    .25   .243    .25 .016
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Cu La2 O4.024
 
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M,
Morosin B, Schirber J
 
Materials Research Society Symposia Proceedings 169 (1990) 47-52
Structural aspects of the phase separation in La2CuO4.032
_cod_database_code 1008573
_database_code_amcsd 0016464
5.350 13.148 5.398 90 90 90 Fmmm
atom    x      y    z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1     0 .36109    0       .0076  .0029  .0019      0      0      0
Cu1     0      0    0        .005  .0050   .001      0      0      0
O1      0  .1813    0  .80   .012   .001   .059      0      0      0
O2    .25      0  .75 .996   .008  .0191 .00001      0 -.0007      0
O3   -.01   .191 .046  .05
O4    .25    .25  .75 .016
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Ba2.1 Cu3 O6 Y0.9
 
Bordet P, Chaillout C, Capponi J, Chenavas J, Marezio M
 
Nature 327 (1987) 687-689
Crystal structure of Y0.9 Ba2.1 Cu3 O6, a compound related to
the high-Tc superconductor Y Ba2 Cu3 O7.
_cod_database_code 1008355
_database_code_amcsd 0016266
3.8715 3.8715 11.738 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)
Ba1  .5 .5 .1921      .0105  .0105  .0148      0      0      0
Y1   .5 .5    .5 .89  .0051  .0051  .0111      0      0      0
Ba2  .5 .5    .5 .11  .0051  .0051  .0111      0      0      0
Cu1   0  0     0      .0193  .0193   .017      0      0      0
Cu2   0  0 .3605      .0029  .0029  .0129      0      0      0
O1    0  0  .154       .018   .018   .010      0      0      0
O2   .5  0 .3794       .003   .009   .015      0      0      0
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Ba4 Cu7 O14.3 Y2
 
Bordet P, Chaillout C, Chenavas J, Hodeau J, Marezio M, Karpinski J, Kaldis E
 
Nature (London) 334 (1988) 596-598
Structure Determination of the new high-temperature Superconductor
Y Ba Cu O (2/4/7/14.30)
_cod_database_code 1008369
_database_code_amcsd 0016279
3.851 3.869 50.29 90 90 90 Ammm
atom  x  y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .5 .5 .04310      .0141  .0147  .0094      0      0      0
Ba2  .5 .5 .18797      .0059  .0063  .0070      0      0      0
Y1   .5 .5 .11545      .0003 -.0017  .0009      0      0      0
Cu1   0  0      0       .042   .047   .020      0      0      0
Cu2   0  0 .08293      .0033  .0053  .0084      0      0      0
Cu3   0  0 .14831      .0027  .0045  .0071      0      0      0
Cu4   0  0 .23012  .7   .011  .0048  .0015      0      0      0
Cu5   0  0 .23012  .3   .011  .0048  .0015      0      0      0
O1    0  0  .0353       .010    .09    .10      0      0      0
O2   .5  0  .0871
O3    0 .5  .0865
O4   .5  0  .1430
O5    0 .5  .1432
O6    0  0  .1937
O7    0 .5  .2328
O8    0 .5      0 .10
O9   .5  0      0 .20
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Bi O3 Sr
 
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M,
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E
 
Nature (London) 390 (1997) 148-150
Discovery of a second family of bismuth-oxide-based superconductors
_cod_database_code 1008815
_database_code_amcsd 0016685
5.9480 6.0951 8.4854 90 90.063 90 P2_1/n
atom      x     y    z
Sr1  -.0152 .5455 .251
Bi1       0     0    0
Bi2       0     0   .5
O1    .4056 .4617 .241
O2     .284  .190 .546
O3     .187  .714 .556
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Bi K0.56 O3 Sr0.44
 
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M,
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E
 
Nature (London) 390 (1997) 148-150
Discovery of a second family of bismuth-oxide-based superconductors
_cod_database_code 1008816
_database_code_amcsd 0016686
5.9416 5.9416 8.4394 90 90 90 I4/mcm
atom     x     y   z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1      0    .5 .75 .44
K1       0    .5 .75 .56
Bi1      0     0   0
O1       0     0 .25       .033   .033   .009      0      0      0
O2   .2219 .7219   0       .011   .011   .060      0      0      0
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Cl Cu3 O8 Pb3 Sr3
 
Cava R, Bordet P, Capponi J, Chaillout C, Chenavas J, Fournier T,
Hewat E, Hodeau J, Levy J, Marezio M, Batlogg B, Rupp
 
Physica C 167 (1990) 67-74
Pb3Sr3Cu3O8+$-deltaCl: a new layered copper oxychloride
_cod_database_code 1008489
_database_code_amcsd 0016382
5.444 5.495 19.49 90 90 90 Cmmm
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1      0     0 .40972      .0206  .0180  .0141      0      0      0
Sr1     .5     0 .27579      .0179  .0159  .0230      0      0      0
Pb2     .5     0 .09985  .5  .0119  .0116  .0273      0      0      0
Sr2     .5     0 .09985  .5  .0119  .0116  .0273      0      0      0
Cu1     .5     0     .5      .0191  .0183  .0067      0      0      0
Cu2      0     0 .18304      .0149  .0131  .0167      0      0      0
O1       0     0 .30277
O2   .4288 .0743  .4126 .25
O3     .25   .25 .17446
Cl1      0     0      0      .0250  .0306  .0777      0      0      0
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Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73
 
Chaillout C, Chmaissen O, Capponi J, Fournier T, McIntyre G, Marezio M
 
Physica C 175 (1991) 293-300
The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single-
crystal neutron diffraction
_cod_database_code 1008713
_database_code_amcsd 0016597
5.3835 5.4091 15.784 90 90 90 Pman
atom   x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    0  .5035 .38695        .020   .013  .0060      0      0  -.002
Sr1    0 -.0010 .21959 .984   .011   .007  .0083      0      0   .006
Ca1    0      0      0  .27   .013   .003  .0066      0      0   .006
Y1     0      0      0  .73   .013   .003  .0066      0      0   .006
Cu1    0      0     .5 .989    .16   .018  .0095      0      0   .002
Cu2    0  .5010 .10597 .990   .006   .018  .0084      0      0   .003
O1     0  .4955 .25177 .965   .012   .016  .0066      0      0   .004
O2     0 -.0630  .3844 .900   .120  .0116  .0060      0      0 -.0009
O3   .25    .25  .0943        .009   .005  .0146   .002      0      0
O4   .25    .25 -.0951        .009   .005  .0146   .002      0      0
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Ba Cu O5.05 Sr
 
Chaillout C, Huang Q, Cava R, Chenavas J, Santoro A, Bordet P,
Hodeau J, Krajewski J, Levy J, Marezio M, Peck W
 
Physica C 195 (1992) 335-344
Synthesis and crystal structure of BaSrCuO2+xCO3
_cod_database_code 1008567
_database_code_amcsd 0016458
5.5899 5.5899 7.7153 90 90 90 P4/mbm
atom     x     y     z   occ
Ba1      0     0 .2115    .5
Sr1      0     0 .2423    .5
Cu1     .5     0     0
C1      .5     0    .5
O1   .3434 .8434 .4553 .2625
O2   .2509 .7509 .0187    .5
O3   .4672 .9672 .3286   .25
O4   .4140 .9140 .3771   .25
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Ba2 Ca2 Cu3 Hg0.692 O8.6
 
Kopnin E, Antipov E, Capponi J, Bordet P, Chaillout C, de Brion S,
Marezio M, Bobylev A, Van Tendeloo G
 
Physica C 243 (1995) 222-232
Suppression of superconductivity in Hg-1223 and Hg-1234 by partial
replacement of Hg by carbon
_cod_database_code 1008674
_database_code_amcsd 0016560
3.86521 3.86521 15.6486 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    .5 .692   .029   .029  -.001      0      0      0
Ba1  .5 .5 .3276
Ca1  .5 .5 .1059
Cu1   0  0     0
Cu2   0  0 .2041
O1   .5  0     0
O2   .5  0 .1990
O3    0  0  .388
O4   .5 .5    .5  .60
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Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3
 
Bordet P, Le Floch S, Capponi J, Chaillout C, Gorius M, Marezio M, Tholence J, Radaelli P
 
Physica C 262 (1996) 151-158
Gold substitution in mercury cuprate superconductors
_cod_database_code 1008771
_database_code_amcsd 0016648
3.8464 3.8464 15.739 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 .69   .006   .006   .048      0      0      0
Au1   0  0     0 .17   .006   .006   .048      0      0      0
Ba1  .5 .5 .1728       .015   .015   .031      0      0      0
Ca1  .5 .5 .3978
Cu1   0  0    .5
Cu2   0  0 .2972
O1   .5  0    .5
O2   .5  0 .3004
O3    0  0 .1204       .005   .005   .056      0      0      0
O4   .5 .5     0 .30
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Au Ba2 Ca0.3 Cu2 O7 Y0.7
 
Bordet P, LeFloch S, Chaillout C, Duc F, Gorius M, Perroux M,
Capponi J, Toulemonde P, Tholence J
 
Physica C 276 (1997) 237-244
Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with
Tc above 80 K
_cod_database_code 1008814
_database_code_amcsd 0016684
3.8298 3.8420 12.111 90 90 90 Pmmm
atom   x  y    z occ
Au1    0  0    0
Ba1   .5 .5 .199
Y1    .5 .5   .5  .7
Ca1   .5 .5   .5  .3
Cu1    0  0 .363
O1     0  0 .153
O2    .5  0  .39
O3     0 .5  .38
O4   .19 .5    0  .5
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Ba2 Cu Hg0.88 O4.87 S0.18
 
Bordet P, Loureiro S, LeFloch S, Capponi J, Chaillout C, Chenavas J,
Tholence J, Antipov E, Radaelli P, Marezio M
 
Physica C 282 (1997) 65-68
High pressure synthesis and structure of the superconducting mercury
cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S
_cod_database_code 1008817
_database_code_amcsd 0016687
3.8986 3.8986 9.2466 90 90 90 P4/mmm
atom    x     y     z  occ
Hg1     0     0     0  .88
Ba1    .5    .5 .2927
Cu1     0     0    .5
O1      0    .5    .5
O2      0     0 .2153
O3     .5    .5     0  .15
S1      0  .139     0 .045
O4   .330  .372     0 .045
O5      0 -.095  .138 .045
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Ba2 Cu2.78 O7 Y
 
Bordet P, Chaillout C, Fournier T, Marezio M, Kaldis E, Karpinski J, Jilek E
 
Physical Review B47 (1993) 3465-3468
Evidence by x-ray diffraction for two apical oxygen sites in a copper-
deficient Y Ba2 Cu2.78 O7 crystal
_cod_database_code 1008857
_database_code_amcsd 0016723
3.8764 3.8764 11.624 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)
Y1   .5 .5     .5       .0046  .0046  .0085      0      0      0
Ba1  .5 .5 .18937       .0147  .0147  .0114      0      0      0
Cu1   0  0      0 .787  .0235  .0235  .0081      0      0      0
Cu2   0  0  .3602       .0041  .0041  .0104      0      0      0
O1    0  0   .143  .96  .0041  .0041    .09      0      0      0
O2   .5  0  .3763        .006   .011   .011      0      0      0
O3   .5  0      0  .54    .30    .28   .015      0      0      0
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