American Mineralogist Crystal Structure Database

50 matching records for this search.

Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 10 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019547
4.358 4.358 12.300 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25 .0013  .0013  .0013  .0011      0      0      0
I    .25 .25 .3915 .0011  .0024  .0001  .0008      0      0      0
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View JMOL 3-D Structure (permalink)
 
Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 30 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019548
4.358 4.358 12.306 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25 .0035  .0036  .0036  .0032      0      0      0
I    .25 .25 .3914 .0027  .0048  .0009  .0025      0      0      0
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View JMOL 3-D Structure (permalink)
 
Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 60 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019549
4.359 4.359 12.319 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25 .0071  .0071  .0071  .0071      0      0      0
I    .25 .25 .3912 .0057  .0088  .0040  .0043      0      0      0
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Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 100 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019550
4.360 4.360 12.337 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25 .0122  .0124  .0124  .0120      0      0      0
I    .25 .25 .3909 .0103  .0157  .0078  .0074      0      0      0
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View JMOL 3-D Structure (permalink)
 
Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 200 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019551
4.365 4.365 12.389 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25 .0272  .0276  .0276  .0264      0      0      0
I    .25 .25 .3904  .022   .034   .015   .016      0      0      0
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View JMOL 3-D Structure (permalink)
 
Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 293 K, powder neutron data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019552
4.370 4.370 12.437 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25  .043   .042   .042   .042      0      0      0
I    .25 .25 .3898  .033   .052   .022   .026      0      0      0
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View JMOL 3-D Structure (permalink)
 
Coccinite
 
Schwarzenbach D, Birkedal H, Hostettler M, Fischer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=828
Acta Crystallographica B63 (2007) 828-835
Neutron diffraction investigation of the temperature dependence of
crystal structure and thermal motions of red HgI2
Note: T = 293 K, single crystal X-ray data
Locality: synthetic, Fluka 83379
_database_code_amcsd 0019553
4.3675 4.3675 12.470 90 90 90 *P4_2/nmc
.25 -.25 .25
atom   x   y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg   .25 .75   .25  .053   .050   .050   .059      0      0      0
I    .25 .25 .3890  .043   .057   .031   .042      0      0      0
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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008382
_database_code_amcsd 0016291
3.8091 3.8788 11.6369 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1845         .25    .25    .25      0      0      0
Y1      .5 .5    .5         .25    .25    .25      0      0      0
Cu1      0  0     0         .28    .28    .28      0      0      0
Cu2      0  0 .3552         .18    .18    .18      0      0      0
O1       0  0 .1595         .42    .42    .42      0      0      0
O2      .5  0 .3779         .37    .37    .37      0      0      0
O3       0 .5 .3772         .32    .32    .32      0      0      0
O4   .0219 .5     0 .455    .35    .35    .35      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008383
_database_code_amcsd 0016292
3.8093 3.8787 11.6376 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1841         .25    .25    .25      0      0      0
Y1      .5 .5    .5         .22    .22    .22      0      0      0
Cu1      0  0     0         .28    .28    .28      0      0      0
Cu2      0  0 .3548         .23    .23    .23      0      0      0
O1       0  0 .1595         .44    .44    .44      0      0      0
O2      .5  0 .3781         .35    .35    .35      0      0      0
O3       0 .5 .3774         .35    .35    .35      0      0      0
O4   .0228 .5     0 .455    .24    .24    .24      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008384
_database_code_amcsd 0016293
3.8097 3.8788 11.6397 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1841         .32    .32    .32      0      0      0
Y1      .5 .5    .5         .26    .26    .26      0      0      0
Cu1      0  0     0         .28    .28    .28      0      0      0
Cu2      0  0 .3550         .23    .23    .23      0      0      0
O1       0  0 .1594         .43    .43    .43      0      0      0
O2      .5  0 .3781         .38    .38    .38      0      0      0
O3       0 .5 .3775         .36    .36    .36      0      0      0
O4   .0223 .5     0 .455    .30    .30    .30      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008385
_database_code_amcsd 0016294
3.8097 3.8788 11.6409 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1841         .26    .26    .26      0      0      0
Y1      .5 .5    .5         .28    .28    .28      0      0      0
Cu1      0  0     0         .30    .30    .30      0      0      0
Cu2      0  0 .3551         .22    .22    .22      0      0      0
O1       0  0 .1594         .51    .51    .51      0      0      0
O2      .5  0 .3781         .40    .40    .40      0      0      0
O3       0 .5 .3774         .36    .36    .36      0      0      0
O4   .0225 .5     0 .455    .35    .35    .35      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008386
_database_code_amcsd 0016295
3.8099 3.8789 11.6425 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1846         .30    .30    .30      0      0      0
Y1      .5 .5    .5         .31    .31    .31      0      0      0
Cu1      0  0     0         .32    .32    .32      0      0      0
Cu2      0  0 .3551         .25    .25    .25      0      0      0
O1       0  0 .1595         .50    .50    .50      0      0      0
O2      .5  0 .3782         .38    .38    .38      0      0      0
O3       0 .5 .3773         .37    .37    .37      0      0      0
O4   .0209 .5     0 .455    .39    .39    .39      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008387
_database_code_amcsd 0016296
3.8102 3.8791 11.6445 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1842         .35    .35    .35      0      0      0
Y1      .5 .5    .5         .30    .30    .30      0      0      0
Cu1      0  0     0         .31    .31    .31      0      0      0
Cu2      0  0 .3550         .26    .26    .26      0      0      0
O1       0  0 .1593         .48    .48    .48      0      0      0
O2      .5  0 .3781         .39    .39    .39      0      0      0
O3       0 .5 .3775         .38    .38    .38      0      0      0
O4   .0254 .5     0 .455    .36    .36    .36      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008388
_database_code_amcsd 0016297
3.8109 3.8793 11.6477 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1841         .37    .37    .37      0      0      0
Y1      .5 .5    .5         .28    .28    .28      0      0      0
Cu1      0  0     0         .31    .31    .31      0      0      0
Cu2      0  0 .3549         .29    .29    .29      0      0      0
O1       0  0 .1589         .50    .50    .50      0      0      0
O2      .5  0 .3779         .41    .41    .41      0      0      0
O3       0 .5 .3776         .39    .39    .39      0      0      0
O4   .0249 .5     0 .455    .38    .38    .38      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008389
_database_code_amcsd 0016298
3.8115 3.8795 11.6512 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1842         .39    .39    .39      0      0      0
Y1      .5 .5    .5         .34    .34    .34      0      0      0
Cu1      0  0     0         .35    .35    .35      0      0      0
Cu2      0  0 .3553         .30    .30    .30      0      0      0
O1       0  0 .1591         .53    .53    .53      0      0      0
O2      .5  0 .3783         .42    .42    .42      0      0      0
O3       0 .5 .3774         .43    .43    .43      0      0      0
O4   .0271 .5     0 .455    .38    .38    .38      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008390
_database_code_amcsd 0016299
3.8121 3.8798 11.6542 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1843         .43    .43    .43      0      0      0
Y1      .5 .5    .5         .33    .33    .33      0      0      0
Cu1      0  0     0         .37    .37    .37      0      0      0
Cu2      0  0 .3552         .32    .32    .32      0      0      0
O1       0  0 .1591         .56    .56    .56      0      0      0
O2      .5  0 .3779         .43    .43    .43      0      0      0
O3       0 .5 .3778         .44    .44    .44      0      0      0
O4   .0278 .5     0 .455    .38    .38    .38      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008391
_database_code_amcsd 0016300
3.8128 3.8802 11.6580 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1842         .48    .48    .48      0      0      0
Y1      .5 .5    .5         .32    .32    .32      0      0      0
Cu1      0  0     0         .39    .39    .39      0      0      0
Cu2      0  0 .3551         .36    .36    .36      0      0      0
O1       0  0 .1591         .57    .57    .57      0      0      0
O2      .5  0 .3781         .45    .45    .45      0      0      0
O3       0 .5 .3777         .47    .47    .47      0      0      0
O4   .0307 .5     0 .455    .34    .34    .34      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008392
_database_code_amcsd 0016301
3.8136 3.8806 11.6620 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1842         .48    .48    .48      0      0      0
Y1      .5 .5    .5         .41    .41    .41      0      0      0
Cu1      0  0     0         .42    .42    .42      0      0      0
Cu2      0  0 .3552         .37    .37    .37      0      0      0
O1       0  0 .1591         .62    .62    .62      0      0      0
O2      .5  0 .3778         .49    .49    .49      0      0      0
O3       0 .5 .3781         .48    .48    .48      0      0      0
O4   .0321 .5     0 .455    .38    .38    .38      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008393
_database_code_amcsd 0016302
3.8143 3.8812 11.6662 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1841         .51    .51    .51      0      0      0
Y1      .5 .5    .5         .38    .38    .38      0      0      0
Cu1      0  0     0         .44    .44    .44      0      0      0
Cu2      0  0 .3552         .40    .40    .40      0      0      0
O1       0  0 .1590         .64    .64    .64      0      0      0
O2      .5  0 .3780         .52    .52    .52      0      0      0
O3       0 .5 .3778         .53    .53    .53      0      0      0
O4   .0313 .5     0 .455    .48    .48    .48      0      0      0
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View JMOL 3-D Structure (permalink)
 
Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008394
_database_code_amcsd 0016303
3.8148 3.8815 11.6681 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1848         .51    .51    .51      0      0      0
Y1      .5 .5    .5         .38    .38    .38      0      0      0
Cu1      0  0     0         .40    .40    .40      0      0      0
Cu2      0  0 .3551         .38    .38    .38      0      0      0
O1       0  0 .1588         .67    .67    .67      0      0      0
O2      .5  0 .3784         .56    .56    .56      0      0      0
O3       0 .5 .3777         .47    .47    .47      0      0      0
O4   .0307 .5     0 .455    .59    .59    .59      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008395
_database_code_amcsd 0016304
3.8151 3.8817 11.6699 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1843         .53    .53    .53      0      0      0
Y1      .5 .5    .5         .42    .42    .42      0      0      0
Cu1      0  0     0         .46    .46    .46      0      0      0
Cu2      0  0 .3551         .42    .42    .42      0      0      0
O1       0  0 .1590         .66    .66    .66      0      0      0
O2      .5  0 .3781         .53    .53    .53      0      0      0
O3       0 .5 .3780         .52    .52    .52      0      0      0
O4   .0336 .5     0 .455    .43    .43    .43      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008396
_database_code_amcsd 0016305
3.8158 3.8822 11.6737 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1847         .59    .59    .59      0      0      0
Y1      .5 .5    .5         .45    .45    .45      0      0      0
Cu1      0  0     0         .46    .46    .46      0      0      0
Cu2      0  0 .3552         .45    .45    .45      0      0      0
O1       0  0 .1588         .68    .68    .68      0      0      0
O2      .5  0 .3778         .56    .56    .56      0      0      0
O3       0 .5 .3778         .55    .55    .55      0      0      0
O4   .0342 .5     0 .455    .62    .62    .62      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008397
_database_code_amcsd 0016306
3.8177 3.8836 11.6827 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1844         .64    .64    .64      0      0      0
Y1      .5 .5    .5         .49    .49    .49      0      0      0
Cu1      0  0     0         .51    .51    .51      0      0      0
Cu2      0  0 .3552         .52    .52    .52      0      0      0
O1       0  0 .1588         .75    .75    .75      0      0      0
O2      .5  0 .3779         .62    .62    .62      0      0      0
O3       0 .5 .3780         .64    .64    .64      0      0      0
O4   .0356 .5     0 .455    .50    .50    .50      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008398
_database_code_amcsd 0016307
3.8091 3.8788 11.6369 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1845        .25    .25    .25      0      0      0
Y1   .5 .5    .5        .25    .25    .25      0      0      0
Cu1   0  0     0        .28    .28    .28      0      0      0
Cu2   0  0 .3552        .18    .18    .18      0      0      0
O1    0  0 .1595        .42    .42    .42      0      0      0
O2   .5  0 .3779        .37    .37    .37      0      0      0
O3    0 .5 .3772        .32    .32    .32      0      0      0
O4    0 .5     0 .91    .94    .25    .45      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008399
_database_code_amcsd 0016308
3.8093 3.8787 11.6376 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1841        .25    .25    .25      0      0      0
Y1   .5 .5    .5        .22    .22    .22      0      0      0
Cu1   0  0     0        .28    .28    .28      0      0      0
Cu2   0  0 .3548        .23    .23    .23      0      0      0
O1    0  0 .1595        .44    .44    .44      0      0      0
O2   .5  0 .3781        .35    .35    .35      0      0      0
O3    0 .5 .3774        .35    .35    .35      0      0      0
O4    0 .5     0 .91    .91    .18    .29      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008400
_database_code_amcsd 0016309
3.8097 3.8788 11.6397 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1841        .32    .32    .32      0      0      0
Y1   .5 .5    .5        .26    .26    .26      0      0      0
Cu1   0  0     0        .28    .28    .28      0      0      0
Cu2   0  0 .3550        .23    .23    .23      0      0      0
O1    0  0 .1594        .43    .43    .43      0      0      0
O2   .5  0 .3781        .38    .38    .38      0      0      0
O3    0 .5 .3775        .36    .36    .36      0      0      0
O4    0 .5     0 .91    .92    .18    .43      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008401
_database_code_amcsd 0016310
3.8097 3.8788 11.6409 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1841        .26    .26    .26      0      0      0
Y1   .5 .5    .5        .28    .28    .28      0      0      0
Cu1   0  0     0        .30    .30    .30      0      0      0
Cu2   0  0 .3551        .22    .22    .22      0      0      0
O1    0  0 .1594        .51    .51    .51      0      0      0
O2   .5  0 .3781        .40    .40    .40      0      0      0
O3    0 .5 .3774        .36    .36    .36      0      0      0
O4    0 .5     0 .91    .99    .31    .39      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008402
_database_code_amcsd 0016311
3.8099 3.8789 11.6425 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1846        .30    .30    .30      0      0      0
Y1   .5 .5    .5        .31    .31    .31      0      0      0
Cu1   0  0     0        .32    .32    .32      0      0      0
Cu2   0  0 .3551        .25    .25    .25      0      0      0
O1    0  0 .1595        .50    .50    .50      0      0      0
O2   .5  0 .3782        .38    .38    .38      0      0      0
O3    0 .5 .3773        .37    .37    .37      0      0      0
O4    0 .5     0 .91    .95    .32    .45      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008403
_database_code_amcsd 0016312
3.8102 3.8791 11.6445 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1842        .35    .35    .35      0      0      0
Y1   .5 .5    .5        .30    .30    .30      0      0      0
Cu1   0  0     0        .31    .31    .31      0      0      0
Cu2   0  0 .3550        .26    .26    .26      0      0      0
O1    0  0 .1593        .48    .48    .48      0      0      0
O2   .5  0 .3781        .39    .39    .39      0      0      0
O3    0 .5 .3775        .38    .38    .38      0      0      0
O4    0 .5     0 .91   1.17    .15    .57      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008404
_database_code_amcsd 0016313
3.8109 3.8793 11.6477 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1841        .37    .37    .37      0      0      0
Y1   .5 .5    .5        .28    .28    .28      0      0      0
Cu1   0  0     0        .31    .31    .31      0      0      0
Cu2   0  0 .3549        .29    .29    .29      0      0      0
O1    0  0 .1589        .50    .50    .50      0      0      0
O2   .5  0 .3779        .41    .41    .41      0      0      0
O3    0 .5 .3776        .39    .39    .39      0      0      0
O4    0 .5     0 .91   1.14    .12    .68      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008405
_database_code_amcsd 0016314
3.8115 3.8795 11.6512 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1842        .39    .39    .39      0      0      0
Y1   .5 .5    .5        .34    .34    .34      0      0      0
Cu1   0  0     0        .35    .35    .35      0      0      0
Cu2   0  0 .3553        .30    .30    .30      0      0      0
O1    0  0 .1591        .53    .53    .53      0      0      0
O2   .5  0 .3783        .42    .42    .42      0      0      0
O3    0 .5 .3774        .43    .43    .43      0      0      0
O4    0 .5     0 .91   1.37    .30    .43      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008406
_database_code_amcsd 0016315
3.8121 3.8798 11.6542 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1843        .43    .43    .43      0      0      0
Y1   .5 .5    .5        .33    .33    .33      0      0      0
Cu1   0  0     0        .37    .37    .37      0      0      0
Cu2   0  0 .3552        .32    .32    .32      0      0      0
O1    0  0 .1591        .56    .56    .56      0      0      0
O2   .5  0 .3779        .43    .43    .43      0      0      0
O3    0 .5 .3778        .44    .44    .44      0      0      0
O4    0 .5     0 .91   1.39    .12    .64      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008407
_database_code_amcsd 0016316
3.8128 3.8802 11.6580 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1842        .48    .48    .48      0      0      0
Y1   .5 .5    .5        .32    .32    .32      0      0      0
Cu1   0  0     0        .39    .39    .39      0      0      0
Cu2   0  0 .3551        .36    .36    .36      0      0      0
O1    0  0 .1591        .57    .57    .57      0      0      0
O2   .5  0 .3781        .45    .45    .45      0      0      0
O3    0 .5 .3777        .47    .47    .47      0      0      0
O4    0 .5     0 .91   1.66    .16    .48      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008408
_database_code_amcsd 0016317
3.8136 3.8806 11.6620 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1842        .48    .48    .48      0      0      0
Y1   .5 .5    .5        .41    .41    .41      0      0      0
Cu1   0  0     0        .42    .42    .42      0      0      0
Cu2   0  0 .3552        .37    .37    .37      0      0      0
O1    0  0 .1591        .62    .62    .62      0      0      0
O2   .5  0 .3778        .49    .49    .49      0      0      0
O3    0 .5 .3781        .48    .48    .48      0      0      0
O4    0 .5     0 .91   1.83    .15    .59      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008409
_database_code_amcsd 0016318
3.8143 3.8812 11.6662 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1841        .51    .51    .51      0      0      0
Y1   .5 .5    .5        .38    .38    .38      0      0      0
Cu1   0  0     0        .44    .44    .44      0      0      0
Cu2   0  0 .3552        .40    .40    .40      0      0      0
O1    0  0 .1590        .64    .64    .64      0      0      0
O2   .5  0 .3780        .52    .52    .52      0      0      0
O3    0 .5 .3778        .53    .53    .53      0      0      0
O4    0 .5     0 .91   1.82    .21    .77      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008410
_database_code_amcsd 0016319
3.8148 3.8815 11.6681 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1848        .51    .51    .51      0      0      0
Y1   .5 .5    .5        .38    .38    .38      0      0      0
Cu1   0  0     0        .40    .40    .40      0      0      0
Cu2   0  0 .3551        .38    .38    .38      0      0      0
O1    0  0 .1588        .67    .67    .67      0      0      0
O2   .5  0 .3784        .56    .56    .56      0      0      0
O3    0 .5 .3777        .47    .47    .47      0      0      0
O4    0 .5     0 .91   1.68    .30    .88      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008411
_database_code_amcsd 0016320
3.8151 3.8817 11.6699 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1843        .53    .53    .53      0      0      0
Y1   .5 .5    .5        .42    .42    .42      0      0      0
Cu1   0  0     0        .46    .46    .46      0      0      0
Cu2   0  0 .3551        .42    .42    .42      0      0      0
O1    0  0 .1590        .66    .66    .66      0      0      0
O2   .5  0 .3781        .53    .53    .53      0      0      0
O3    0 .5 .3780        .52    .52    .52      0      0      0
O4    0 .5     0 .91   2.05    .13    .73      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008412
_database_code_amcsd 0016321
3.8158 3.8822 11.6737 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1847        .59    .59    .59      0      0      0
Y1   .5 .5    .5        .45    .45    .45      0      0      0
Cu1   0  0     0        .46    .46    .46      0      0      0
Cu2   0  0 .3552        .45    .45    .45      0      0      0
O1    0  0 .1588        .68    .68    .68      0      0      0
O2   .5  0 .3778        .56    .56    .56      0      0      0
O3    0 .5 .3778        .55    .55    .55      0      0      0
O4    0 .5     0 .91   2.25    .29    .98      0      0      0
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Ba2 Cu3 O6.91 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008413
_database_code_amcsd 0016322
3.8177 3.8836 11.6827 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1844        .64    .64    .64      0      0      0
Y1   .5 .5    .5        .49    .49    .49      0      0      0
Cu1   0  0     0        .51    .51    .51      0      0      0
Cu2   0  0 .3552        .52    .52    .52      0      0      0
O1    0  0 .1588        .75    .75    .75      0      0      0
O2   .5  0 .3779        .62    .62    .62      0      0      0
O3    0 .5 .3780        .64    .64    .64      0      0      0
O4    0 .5     0 .91   2.40    .17    .78      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008414
_database_code_amcsd 0016323
3.8103 3.8789 11.6287 90 90 90 Pmmm
atom     x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1849        .27    .27    .27      0      0      0
Y1      .5 .5    .5        .29    .29    .29      0      0      0
Cu1      0  0     0        .36    .36    .36      0      0      0
Cu2      0  0 .3555        .22    .22    .22      0      0      0
O1       0  0 .1597        .51    .51    .51      0      0      0
O2      .5  0 .3781        .37    .37    .37      0      0      0
O3       0 .5 .3771        .37    .37    .37      0      0      0
O4   .0265 .5     0 .43    .22    .22    .22      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008415
_database_code_amcsd 0016324
3.8108 3.8789 11.6328 90 90 90 Pmmm
atom     x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1851        .32    .32    .32      0      0      0
Y1      .5 .5    .5        .33    .33    .33      0      0      0
Cu1      0  0     0        .38    .38    .38      0      0      0
Cu2      0  0 .3555        .25    .25    .25      0      0      0
O1       0  0 .1598        .53    .53    .53      0      0      0
O2      .5  0 .3781        .38    .38    .38      0      0      0
O3       0 .5 .3773        .40    .40    .40      0      0      0
O4   .0279 .5     0 .43    .24    .24    .24      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008416
_database_code_amcsd 0016325
3.8114 3.8792 11.6373 90 90 90 Pmmm
atom     x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1851        .36    .36    .36      0      0      0
Y1      .5 .5    .5        .34    .34    .34      0      0      0
Cu1      0  0     0        .42    .42    .42      0      0      0
Cu2      0  0 .3556        .26    .26    .26      0      0      0
O1       0  0 .1596        .55    .55    .55      0      0      0
O2      .5  0 .3780        .41    .41    .41      0      0      0
O3       0 .5 .3774        .41    .41    .41      0      0      0
O4   .0286 .5     0 .43    .29    .29    .29      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008417
_database_code_amcsd 0016326
3.8142 3.8807 11.6527 90 90 90 Pmmm
atom     x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1853        .49    .49    .49      0      0      0
Y1      .5 .5    .5        .42    .42    .42      0      0      0
Cu1      0  0     0        .49    .49    .49      0      0      0
Cu2      0  0 .3559        .37    .37    .37      0      0      0
O1       0  0 .1596        .67    .67    .67      0      0      0
O2      .5  0 .3781        .52    .52    .52      0      0      0
O3       0 .5 .3775        .52    .52    .52      0      0      0
O4   .0343 .5     0 .43    .38    .38    .38      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008418
_database_code_amcsd 0016327
3.8180 3.8835 11.6726 90 90 90 Pmmm
atom     x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1857        .65    .65    .65      0      0      0
Y1      .5 .5    .5        .54    .54    .54      0      0      0
Cu1      0  0     0        .59    .59    .59      0      0      0
Cu2      0  0 .3560        .50    .50    .50      0      0      0
O1       0  0 .1592        .80    .80    .80      0      0      0
O2      .5  0 .3782        .65    .65    .65      0      0      0
O3       0 .5 .3777        .62    .62    .62      0      0      0
O4   .0377 .5     0 .43    .58    .58    .58      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008419
_database_code_amcsd 0016328
3.8103 3.8789 11.6287 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1849        .27    .27    .27      0      0      0
Y1   .5 .5    .5        .29    .29    .29      0      0      0
Cu1   0  0     0        .36    .36    .36      0      0      0
Cu2   0  0 .3555        .22    .22    .22      0      0      0
O1    0  0 .1597        .51    .51    .51      0      0      0
O2   .5  0 .3781        .37    .37    .37      0      0      0
O3    0 .5 .3771        .37    .37    .37      0      0      0
O4    0 .5     0 .86   1.18    .18    .21      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008420
_database_code_amcsd 0016329
3.8108 3.8789 11.6328 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1851        .32    .32    .32      0      0      0
Y1   .5 .5    .5        .33    .33    .33      0      0      0
Cu1   0  0     0        .38    .38    .38      0      0      0
Cu2   0  0 .3555        .25    .25    .25      0      0      0
O1    0  0 .1598        .53    .53    .53      0      0      0
O2   .5  0 .3781        .38    .38    .38      0      0      0
O3    0 .5 .3773        .40    .40    .40      0      0      0
O4    0 .5     0 .86   1.32    .18    .24      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008421
_database_code_amcsd 0016330
3.8114 3.8792 11.6373 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1851        .36    .36    .36      0      0      0
Y1   .5 .5    .5        .34    .34    .34      0      0      0
Cu1   0  0     0        .42    .42    .42      0      0      0
Cu2   0  0 .3556        .26    .26    .26      0      0      0
O1    0  0 .1596        .55    .55    .55      0      0      0
O2   .5  0 .3780        .41    .41    .41      0      0      0
O3    0 .5 .3774        .41    .41    .41      0      0      0
O4    0 .5     0 .86   1.42    .18    .35      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008422
_database_code_amcsd 0016331
3.8142 3.8807 11.6527 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1853        .49    .49    .49      0      0      0
Y1   .5 .5    .5        .42    .42    .42      0      0      0
Cu1   0  0     0        .49    .49    .49      0      0      0
Cu2   0  0 .3559        .37    .37    .37      0      0      0
O1    0  0 .1596        .67    .67    .67      0      0      0
O2   .5  0 .3781        .52    .52    .52      0      0      0
O3    0 .5 .3775        .52    .52    .52      0      0      0
O4    0 .5     0 .86   2.22    .31    .33      0      0      0
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Ba2 Cu3 O6.86 Y
 
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
 
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008423
_database_code_amcsd 0016332
3.8180 3.8835 11.6726 90 90 90 Pmmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1  .5 .5 .1857        .65    .65    .65      0      0      0
Y1   .5 .5    .5        .54    .54    .54      0      0      0
Cu1   0  0     0        .59    .59    .59      0      0      0
Cu2   0  0 .3560        .50    .50    .50      0      0      0
O1    0  0 .1592        .80    .80    .80      0      0      0
O2   .5  0 .3782        .65    .65    .65      0      0      0
O3    0 .5 .3777        .62    .62    .62      0      0      0
O4    0 .5     0 .86   2.92    .40    .59      0      0      0
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