|
Eglestonite |
 |
Mereiter K, Zemann J, Hewat A W |
 |
American Mineralogist 77 (1992) 839-842 |
|
Eglestonite, [Hg2]3Cl3O2H: Confirmation of the chemical formula by neutron |
|
powder diffraction |
|
sample SX examined by single-crystal X-ray diffraction |
|
_database_code_amcsd 0001529 |
|
16.036 16.036 16.036 90 90 90 Ia-3d |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Hg .17220 .01354 .00911 .001011 .002994 .002693 .000039 .000165 .000117 |
|
Cl .125 .36416 .88584 1.96 |
|
O .0446 .0446 .0446 1.13 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Eglestonite |
|
Mereiter K, Zemann J, Hewat A W |
|
American Mineralogist 77 (1992) 839-842 |
|
Eglestonite, (Hg2)3Cl3O2H: confirmation of the chemical formula by neutron |
|
powder diffraction |
|
sample SN examined by powder neutron diffraction |
|
_database_code_amcsd 0001530 |
|
16.036 16.036 16.036 90 90 90 Ia-3d |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Hg .17229 .01331 .00910 .00087 .00294 .00254 -.00002 .00001 .00005 |
|
Cl .125 .36352 .88648 1.50 |
|
O .0449 .0449 .0449 1.12 |
|
H .0069 .0069 .0069 .5 1.63 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Ghose S, Hewat A W, Marezio M |
| |
Physics and Chemistry of Minerals 11 (1984) 67-74 |
|
A neutron powder diffraction study of the crystal and |
|
magnetic structures of ilvaite from 305 K to 5 K - a mixed |
|
valence iron silicate with an electronic transition |
|
Sample: T = 5 K |
|
_database_code_amcsd 0007361 |
|
13.0229 8.7977 5.8428 90 90.234 90 P2_1/a |
|
atom x y z occ Biso |
|
Ca .8134 .3705 .7313 1.90 |
|
FeM11 .8890 .0554 .0101 .48 |
|
FeM12 .8896 .0470 .4944 .48 |
|
FeM2 .9410 .7438 .2416 .925 .63 |
|
MnM2 .9410 .7438 .2416 .075 .63 |
|
Si1 .9649 .3681 .2223 .56 |
|
Si2 .6792 .2291 .2561 .56 |
|
O1 .0102 .0285 .7339 .90 |
|
O21 .9379 .2731 .0111 .90 |
|
O22 .9339 .2725 .4853 .90 |
|
O5 .5857 .1030 .2607 .90 |
|
O6 .6004 .0260 .7526 .90 |
|
O3 .7784 .1086 .2639 .90 |
|
O41 .6670 .3280 .0159 .90 |
|
O42 .6716 .3368 .4790 .90 |
|
O7 .7977 .1051 .7381 .90 |
|
H .7336 .0610 .7386 1.48 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ilvaite |
|
Ghose S, Hewat A W, Marezio M |
| |
Physics and Chemistry of Minerals 11 (1984) 67-74 |
|
A neutron powder diffraction study of the crystal and |
|
magnetic structures of ilvaite from 305 K to 5 K - a mixed |
|
valence iron silicate with an electronic transition |
|
Sample: T = 80 K |
|
_database_code_amcsd 0007362 |
|
13.0230 8.7994 5.8422 90 90.231 90 P2_1/a |
|
atom x y z occ Biso |
|
Ca .8128 .3693 .7364 1.67 |
|
FeM11 .8888 .0553 .0088 .975 .48 |
|
MnM11 .8888 .0553 .0088 .025 .48 |
|
FeM12 .8889 .0471 .4920 .95 .48 |
|
MnM12 .8889 .0471 .4920 .05 .48 |
|
FeM2 .9413 .7426 .2437 .9 .52 |
|
MnM2 .9413 .7426 .2437 .1 .52 |
|
Si1 .9623 .3662 .2261 .80 |
|
Si2 .6784 .2300 .2540 .80 |
|
O1 .0098 .0291 .7319 1.01 |
|
O21 .9380 .2730 .0139 1.01 |
|
O22 .9343 .2750 .4863 1.01 |
|
O5 .5853 .1028 .2606 1.01 |
|
O6 .6006 .0248 .7525 1.01 |
|
O3 .7781 .1087 .2586 1.01 |
|
O41 .6676 .3307 .0167 1.01 |
|
O42 .6726 .3334 .4770 1.01 |
|
O7 .7956 .1047 .7380 1.01 |
|
H .7375 .0605 .7412 1.62 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Ghose S, Hewat A W, Marezio M |
| |
Physics and Chemistry of Minerals 11 (1984) 67-74 |
|
A neutron powder diffraction study of the crystal and |
|
magnetic structures of ilvaite from 305 K to 5 K - a mixed |
|
valence iron silicate with an electronic transition |
|
Sample: T = 150 K |
|
_database_code_amcsd 0007363 |
|
13.0244 8.8006 5.8445 90 90.233 90 P2_1/a |
|
atom x y z occ Biso |
|
Ca .8141 .3683 .7489 2.49 |
|
FeM11 .8883 .0520 .0101 .925 .66 |
|
MnM11 .8883 .0520 .0101 .075 .66 |
|
FeM12 .8904 .0502 .4891 .975 .66 |
|
MnM12 .8904 .0502 .4891 .025 .66 |
|
FeM2 .9414 .7444 .2496 .9 .54 |
|
MnM2 .9414 .7444 .2496 .1 .54 |
|
Si1 .9596 .3675 .2426 1.04 |
|
Si2 .6773 .2296 .2471 1.04 |
|
O1 .0066 .0262 .7319 1.46 |
|
O21 .9376 .2727 .0117 1.46 |
|
O22 .9333 .2731 .4856 1.46 |
|
O5 .5855 .1036 .2584 1.46 |
|
O6 .6002 .0271 .7520 1.46 |
|
O3 .7776 .1078 .2562 1.46 |
|
O41 .6684 .3312 .0162 1.46 |
|
O42 .6721 .3311 .4789 1.46 |
|
O7 .7961 .1060 .7425 1.46 |
|
H .7377 .0607 .7378 2.04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Ghose S, Hewat A W, Marezio M |
| |
Physics and Chemistry of Minerals 11 (1984) 67-74 |
|
A neutron powder diffraction study of the crystal and |
|
magnetic structures of ilvaite from 305 K to 5 K - a mixed |
|
valence iron silicate with an electronic transition |
|
Sample: T = 305 K |
|
_database_code_amcsd 0007364 |
|
13.0207 8.8121 5.8609 90 90.249 90 P2_1/a |
|
atom x y z occ Biso |
|
Ca .8092 .3662 .7558 1.63 |
|
FeM11 .8890 .0494 .0095 .95 .63 |
|
MnM11 .8890 .0494 .0095 .05 .63 |
|
FeM12 .8900 .0548 .4903 .95 .63 |
|
MnM12 .8900 .0548 .4903 .05 .63 |
|
FeM2 .9406 .7396 .2481 .85 .00 |
|
MnM2 .9406 .7396 .2481 .15 .00 |
|
Si1 .9585 .3669 .2451 1.57 |
|
Si2 .6785 .2260 .2464 1.57 |
|
O1 .0085 .0306 .7309 1.57 |
|
O21 .9348 .2736 .0106 1.57 |
|
O22 .9363 .2751 .4795 1.57 |
|
O5 .5854 .1004 .2605 1.57 |
|
O6 .6006 .0214 .7543 1.57 |
|
O3 .7770 .1098 .2545 1.57 |
|
O41 .6721 .3277 .0191 1.57 |
|
O42 .6709 .3320 .4771 1.57 |
|
O7 .7963 .1069 .7492 1.57 |
|
H .7355 .0621 .7402 3.06 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Ballet O, Coey J M D, Fillion G, Ghose A, Hewat A W, Regnard J R |
| |
Physics and Chemistry of Minerals 16 (1989) 672-677 |
|
Magnetic order in acmite; NaFeSi2O6 |
|
Sample: T = 14 K |
|
_database_code_amcsd 0007464 |
|
9.68 8.83 5.30 90 107.3 90 C2/c |
|
atom x y z occ |
|
FeM1 0 .8991 .25 .992 |
|
NaM2 0 .2971 .25 .978 |
|
Si .2890 .0918 .2377 .98 |
|
O1 .1141 .0791 .1387 |
|
O2 .3592 .2559 .3010 |
|
O3 .3540 .0072 .0113 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sb2MoO6 |
| |
Laarif A, Theobald F R, Vivier H, Hewat A W |
|
Zeitschrift fur Kristallographie 167 (1984) 117-124 |
|
Crystal structure of Sb2MoO6 |
|
Note: neutron diffraction refinement |
|
Note: y-coordinate for O9 changed to match magnitude in the X-ray refinement |
|
as well as the reported bond lengths |
|
Note: synthetic polymorph of biehlite |
|
_database_code_amcsd 0010868 |
|
7.4774 7.5017 10.1259 70.374 70.889 83.246 P-1 |
|
atom x y z |
|
Sb1 .129 .557 .1722 |
|
Sb2 .057 .1269 .1792 |
|
Sb3 .586 .618 .1613 |
|
Sb4 .618 .085 .1639 |
|
Mo1 .7739 .7217 .4859 |
|
Mo2 .2699 .7793 .5010 |
|
O1 .406 .762 .3098 |
|
O2 .387 .689 .0585 |
|
O3 .917 .2694 .3186 |
|
O4 .694 .887 .0665 |
|
O5 .741 .5355 .4267 |
|
O6 .229 .0242 .4455 |
|
O7 .7553 .9262 .3144 |
|
O8 .1992 .3715 .0606 |
|
O9 .7229 .6041 .6840 |
|
O10 .870 .2060 .0704 |
|
O11 .5376 .2359 .4395 |
|
O12 .0199 .7257 .4395 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sb2MoO6 |
| |
Laarif A, Theobald F R, Vivier H, Hewat A W |
|
Zeitschrift fur Kristallographie 167 (1984) 117-124 |
|
Crystal structure of Sb2MoO6 |
|
Note: X-ray single crystal refinement |
|
Note: synthetic polymorph of biehlite |
|
_database_code_amcsd 0010869 |
|
7.481 7.504 10.120 70.43 70.91 83.35 P-1 |
|
atom x y z |
|
Sb1 .1297 .5591 .1734 |
|
Sb2 .0580 .1217 .1776 |
|
Sb3 .5829 .6272 .1622 |
|
Sb4 .6161 .0835 .1621 |
|
Mo1 .7764 .7232 .4838 |
|
Mo2 .2734 .7812 .4978 |
|
O1 .398 .756 .317 |
|
O2 .387 .688 .060 |
|
O3 .919 .275 .313 |
|
O4 .692 .887 .064 |
|
O5 .739 .532 .433 |
|
O6 .231 .025 .440 |
|
O7 .757 .919 .318 |
|
O8 .196 .371 .065 |
|
O9 .723 .600 .688 |
|
O10 .871 .205 .068 |
|
O11 .532 .231 .439 |
|
O12 .023 .728 .441 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lueshite |
|
Hewat A W |
| |
Ferroelectrics 7 (1974) 83-85 |
|
Neutron powder profile refinement of ferroelectric and |
|
antiferroelectric crystal structures: sodium niobate at 22 deg C |
|
Locality: synthetic |
|
_database_code_amcsd 0018686 |
|
5.5679 15.5156 5.5029 90 90 90 Pbma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Nb1 .2705 .1231 .247 .003226 .000727 .003302 0 0 0 |
|
Na1 .75 0 .257 .008064 .001662 .008256 0 0 0 |
|
Na2 .781 .25 .254 .008064 .001662 .008256 0 0 0 |
|
O1 .25 0 .304 .009677 .000935 .009907 0 0 0 |
|
O2 .232 .25 .180 .009677 .000935 .009907 0 0 0 |
|
O3 .025 .1410 .533 .004838 .001246 .004953 0 0 0 |
|
O4 .456 .1090 -.036 .004838 .001246 .004953 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KAlF4 |
| |
Launay J, Bulou A, Hewat A, Gibaud A, Laval J, Nouet J |
| |
Journal de Physique 46 (1985) 771-782 |
|
Shear transformation in the layered compound KAlF4: low temperature |
|
phase structure and transformation mechanism |
|
_cod_database_code 1000207 |
|
_database_code_amcsd 0012760 |
|
5.0449 5.0449 6.1592 90 90 90 P4/mbm |
|
atom x y z |
|
Al1 0 0 0 |
|
K1 .5 0 .5 |
|
F1 .2826 .2174 0 |
|
F2 0 0 .2828 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KAlF4 |
| |
Launay J, Bulou A, Hewat A, Gibaud A, Laval J, Nouet J |
| |
Journal de Physique 46 (1985) 771-782 |
|
Shear transformation in the layered compound KAlF4: low temperature |
|
phase structure and transformation mechanism |
|
_cod_database_code 1000208 |
|
_database_code_amcsd 0012761 |
|
7.3403 7.2370 6.4070 90 106.801 90 P2_1/m |
|
atom x y z |
|
Al1 0 0 0 |
|
Al2 .5 0 0 |
|
K1 .131 .25 .541 |
|
K2 .633 .25 .544 |
|
F1 .2581 -.0205 .0077 |
|
F2 .029 .25 .051 |
|
F3 .4874 .25 .044 |
|
F4 .0712 -.0370 .2836 |
|
F5 .5738 -.0361 .2840 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Minium |
|
Gavarri J R, Weigel D, Hewat A W |
| |
Journal of Solid State Chemistry 23 (1978) 327-339 |
|
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et |
|
mecanisme de la transition |
|
Locality: synthetic |
|
Sample: T = 240 K |
|
_database_code_amcsd 0013354 |
|
8.8189 8.8068 6.5636 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb4+ 0 .5 .2471 .004050 .003546 .003424 0 0 0 |
|
Pb2+1 .1411 .1610 0 .004050 .003546 .003424 0 0 0 |
|
Pb2+2 .1635 .8556 .5 .004050 .003546 .003424 0 0 0 |
|
O1 .6730 .1711 .239 .004050 .003546 .003424 0 0 0 |
|
O2C .0923 .6373 0 .004050 .003546 .003424 0 0 0 |
|
O2A .1333 .5970 .5 .004050 .003546 .003424 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Minium |
|
Gavarri J R, Weigel D, Hewat A W |
| |
Journal of Solid State Chemistry 23 (1978) 327-339 |
|
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et |
|
mecanisme de la transition |
|
Locality: synthetic |
|
Sample: T = 200 K |
|
_database_code_amcsd 0013355 |
|
8.8179 8.8032 6.5620 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb4+ 0 .5 .2464 .003890 .003194 .003193 0 0 0 |
|
Pb2+1 .1418 .1613 0 .003890 .003194 .003193 0 0 0 |
|
Pb2+2 .1632 .8559 .5 .003890 .003194 .003193 0 0 0 |
|
O1 .6720 .1721 .242 .003890 .003194 .003193 0 0 0 |
|
O2C .0937 .6371 0 .003890 .003194 .003193 0 0 0 |
|
O2A .1344 .5963 .5 .003890 .003194 .003193 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Minium |
|
Gavarri J R, Weigel D, Hewat A W |
| |
Journal of Solid State Chemistry 23 (1978) 327-339 |
|
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et |
|
mecanisme de la transition |
|
Locality: synthetic |
|
Sample: T = 180 K |
|
_database_code_amcsd 0013356 |
|
8.8193 8.8008 6.5618 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb4+ 0 .5 .2483 .003632 .003131 .003310 0 0 0 |
|
Pb2+1 .1424 .1604 0 .003632 .003131 .003310 0 0 0 |
|
Pb2+2 .1638 .8561 .5 .003632 .003131 .003310 0 0 0 |
|
O1 .6720 .1720 .242 .003632 .003131 .003310 0 0 0 |
|
O2C .0943 .6361 0 .003632 .003131 .003310 0 0 0 |
|
O2A .1352 .5960 .5 .003632 .003131 .003310 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Minium |
|
Gavarri J R, Weigel D, Hewat A W |
| |
Journal of Solid State Chemistry 23 (1978) 327-339 |
|
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et |
|
mecanisme de la transition |
|
Locality: synthetic |
|
Sample: T = 140 K |
|
_database_code_amcsd 0013357 |
|
8.9496 8.6638 6.5616 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb4+ 0 .5 .2495 .003632 .003131 .003310 0 0 0 |
|
Pb2+1 .1482 .1577 0 .003632 .003131 .003310 0 0 0 |
|
Pb2+2 .1665 .8609 .5 .003632 .003131 .003310 0 0 0 |
|
O1 .6718 .1723 .2505 .003632 .003131 .003310 0 0 0 |
|
O2C .0898 .6371 0 .003632 .003131 .003310 0 0 0 |
|
O2A .1332 .5969 .5 .003632 .003131 .003310 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Minium |
|
Gavarri J R, Weigel D, Hewat A W |
| |
Journal of Solid State Chemistry 23 (1978) 327-339 |
|
Oxydes de plomb. IV. Evolution structurale de l'oxyde Pb3O4 entre 240 et 5 K et |
|
mecanisme de la transition |
|
Locality: synthetic |
|
Sample: T = 5 K |
|
_database_code_amcsd 0013358 |
|
9.1305 8.4629 6.5677 90 90 90 Pbam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb4+ 0 .5 .2487 .001889 .002409 -.000041 0 0 0 |
|
Pb2+1 .1540 .1534 0 .001889 .002409 -.000041 0 0 0 |
|
Pb2+2 .1702 .8700 .5 .001889 .002409 -.000041 0 0 0 |
|
O1 .6716 .1726 .2500 .001889 .002409 -.000041 0 0 0 |
|
O2C .0923 .6410 0 .001889 .002409 -.000041 0 0 0 |
|
O2A .1294 .5989 .5 .001889 .002409 -.000041 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: Neutron Diffraction |
|
T = 2 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013536 |
|
5.6124 5.6089 4.9924 90 90 90 Cmma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 .25 .7642 .00571 .00572 .00240 0 0 0 |
|
O .25 0 0 .00833 .00834 .00892 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: Neutron Diffraction |
|
T = 30 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013537 |
|
5.6112 5.6091 4.9935 90 90 90 Cmma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 .25 .7640 .00484 .00484 .00280 0 0 0 |
|
O .25 0 0 .00698 .00699 .00782 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: Neutron Diffraction |
|
T = 77 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013538 |
|
5.6118 5.6114 4.9988 90 90 90 Cmma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 .25 .7642 .00651 .00651 .00450 0 0 0 |
|
O .25 0 0 .00849 .00849 .01100 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: Neutron Diffraction |
|
T = 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013539 |
|
5.6253 5.6253 5.0259 90 90 90 Cmma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 .25 .7655 .01169 .01169 .01405 0 0 0 |
|
O .25 0 0 .01145 .01145 .02672 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction |
|
T = 77.6 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013540 |
|
3.9645 3.9645 4.9956 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2368 .4 |
|
O 0 0 0 .6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction |
|
T = 182 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013541 |
|
3.9634 3.9634 5.0088 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2364 .6 |
|
O 0 0 0 .9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction; in the cryostat |
|
T = 295 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013542 |
|
3.9744 3.9744 5.0220 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2351 1.2 |
|
O 0 0 0 .8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction; in the four-circle diffractometer |
|
T = 295 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013543 |
|
3.9744 3.9744 5.0219 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2356 1.2 |
|
O 0 0 0 .8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction |
|
T = 473 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013544 |
|
3.9854 3.9854 5.0435 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2355 1.0 |
|
O 0 0 0 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Method: X-ray Diffraction |
|
T = 673 K |
|
Locality: synthetic |
|
_database_code_amcsd 0013545 |
|
3.9998 3.9998 5.0654 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2342 1.2 |
|
O 0 0 0 1.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Litharge |
|
Boher P, Garnier P, Gavarri J R, Hewat A W |
| |
Journal of Solid State Chemistry 57 (1985) 343-350 |
|
Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique |
|
Locality: synthetic |
|
Method: X-ray Diffraction |
|
T = 723 K |
|
_database_code_amcsd 0013546 |
|
4.0039 4.0039 5.0712 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Pb 0 .5 .2336 1.3 |
|
O 0 0 0 1.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NH4AlF4 |
| |
Bulou A, Leble A, Hewat A |
| |
Materials Research Bulletin 17 (1982) 391-397 |
|
NH4AlF4: Determination of the Ordered and Disordered Structures by |
|
Neutron Powder Profile Refinement |
|
_cod_database_code 1000182 |
|
_database_code_amcsd 0014295 |
|
5.0875 5.0875 12.7319 90 90 90 I4/mcm |
|
atom x y z occ |
|
N1 0 .5 .25 |
|
H1 -.0015 .3303 .2043 .5 |
|
Al1 0 0 0 |
|
F1 0 0 .1386 |
|
F2 .2102 .7102 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NH4AlF4 |
| |
Bulou A, Leble A, Hewat A |
| |
Materials Research Bulletin 17 (1982) 391-397 |
|
NH4AlF4: Determination of the Ordered and Disordered Structures by |
|
Neutron Powder Profile Refinement |
|
_cod_database_code 1000183 |
|
_database_code_amcsd 0014296 |
|
5.0564 5.0564 12.7113 90 90 90 P4_2/mbc |
|
atom x y z |
|
N1 0 0 .25 |
|
H1 .0017 .8310 .2030 |
|
Al1 0 .5 0 |
|
F1 0 .5 .1394 |
|
F2 .2957 .2980 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
