|
Ba2 Cu3 La O6.7 |
| |
Hervieu M, Nguyen N, Michel C, Deslandes F, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 305 (1987) 1063-1068 |
|
A preliminary X-ray diffraction study of the tetragonal superconducting |
|
oxide La Ba2 Cu3 O7-d |
|
_cod_database_code 1001677 |
|
_database_code_amcsd 0012300 |
|
3.895 3.895 11.727 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 .5 .5 .5 |
|
Ba1 .5 .5 .1846 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3521 |
|
O1 0 0 .1720 .325 |
|
O2 0 .5 .3849 |
|
O3 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 O9 Sr4 Tl0.965 |
| |
Daniel P, Barbey L, Groult D, Nguyen N, Van Tendeloo G, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 235-244 |
|
Mixed valent iron oxides with the 0201-1201 intergrowth structure: |
|
(Pb1-x Tlx) Sr4 Fe2 O9 (0 |
|
_cod_database_code 1001629 |
|
_database_code_amcsd 0012587 |
|
3.8048 3.8048 30.46799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .083 0 0 .2412 |
|
Sr1 .5 .5 .0829 |
|
Sr2 .5 .5 .2049 |
|
Fe1 0 0 .1490 |
|
O1 .137 0 .5 .25 |
|
O2 0 0 .0684 |
|
O3 .5 0 .1431 |
|
O4 0 0 .2144 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu1.85 Fe0.3 O10 Sr4 Tl0.85 |
| |
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990 |
|
Stabilisation of a thallium oxycarbonate by trivalent iron: |
|
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7 |
|
_cod_database_code 1001793 |
|
_database_code_amcsd 0012611 |
|
3.8246 3.8246 16.5069 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .2125 |
|
Fe1 .069 0 0 .0175 |
|
Cu1 .069 0 0 .02 |
|
Sr1 .5 .5 .1587 |
|
Sr2 .5 .5 .3737 |
|
Cu2 0 0 .2634 .885 |
|
Fe2 0 0 .2634 .115 |
|
C1 0 0 .5 |
|
O1 .53 .5 0 .25 |
|
O2 0 0 .123 |
|
O3 .146 0 .418 .25 |
|
O4 .34 0 .5 .25 |
|
O5 .5 0 .271 |
|
|
| 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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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 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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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2 O8 Sr3 Tl0.95 |
| |
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
| |
Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
|
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
|
_cod_database_code 1001672 |
|
_database_code_amcsd 0013242 |
|
3.811 3.811 12.780 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .064 0 0 .2375 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .1948 |
|
Fe1 0 0 .3453 |
|
O1 .362 .5 0 .25 |
|
O2 0 0 .173 |
|
O3 0 0 .5 |
|
O4 0 .5 .3364 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2 O8 Pb0.485 Sr3 Tl0.485 |
| |
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
| |
Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
|
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
|
_cod_database_code 1001673 |
|
_database_code_amcsd 0013243 |
|
3.8180 3.8180 12.834 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .064 0 0 .1213 |
|
Pb1 .064 0 0 .1213 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .1989 |
|
Fe1 0 0 .3516 |
|
O1 .389 .5 0 .25 |
|
O2 0 0 .1679 |
|
O3 0 0 .5 |
|
O4 0 .5 .3342 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chayesite |
 |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013386 |
|
10.22 10.22 14.176 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
KA1 0 0 .25 .8 |
|
KA2 1/3 2/3 0 .5 .6 |
|
MgM1 1/3 2/3 .25 .8 1.6 |
|
FeM1 1/3 2/3 .25 .2 1.6 |
|
MgM2 .5 0 .25 .4667 1.3 |
|
FeM2 .5 0 .25 .5333 1.3 |
|
Si .763 .110 .114 1.1 |
|
O1 .738 .116 0 .1 |
|
O2 .936 .207 .136 .1 |
|
O3 .651 .152 .166 .8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Eifelite |
|
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013387 |
|
10.152 10.152 14.28 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
KA1 0 0 .25 2.2 |
|
NaA2 1/3 2/3 0 .5 .6 |
|
MgM1 1/3 2/3 .25 1.7 |
|
MgM2 .5 0 .25 1.2 |
|
Si .763 .114 .109 1.1 |
|
O1 .734 .132 0 .6 |
|
O2 .945 .221 .133 1.4 |
|
O3 .662 .157 .172 .7 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2Mg3Cu2Si12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013388 |
|
10.169 10.169 14.182 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
KA1 0 0 .25 1.3 |
|
KA2 1/3 2/3 0 .5 .9 |
|
MgM1 1/3 2/3 .25 .875 2.2 |
|
CuM1 1/3 2/3 .25 .125 2.2 |
|
MgM2 .5 0 .25 .4167 1.6 |
|
CuM2 .5 0 .25 .5833 1.6 |
|
Si .764 .110 .110 .4 |
|
O1 .747 .131 0 1.4 |
|
O2 .931 .212 .14 .1 |
|
O3 .662 .157 .165 .3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K2Mg3Zn2Si12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013389 |
|
10.199 10.199 14.145 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
KA1 0 0 .25 .9 |
|
KA2 1/3 2/3 0 .5 1.3 |
|
MgM1 1/3 2/3 .25 2.0 |
|
MgM2 .5 0 .25 .3333 .8 |
|
ZnM2 .5 0 .25 .6667 .8 |
|
Si .767 .114 .112 1.3 |
|
O1 .733 .114 0 1.7 |
|
O2 .945 .218 .136 .4 |
|
O3 .651 .158 .172 .1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na2Mg5Si12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013390 |
|
10.151 10.151 14.288 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
NaA1 0 0 .25 .6 1.0 |
|
NaA2 1/3 2/3 0 .7 1.2 |
|
MgM1 1/3 2/3 .25 1.8 |
|
MgM2 .5 0 .25 .3 |
|
Si .764 .116 .111 1.0 |
|
O1 .730 .123 0 .7 |
|
O2 .945 .213 .135 1.4 |
|
O3 .652 .156 .171 .9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na2Mg3Cu2Si12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013391 |
|
10.096 10.096 14.25 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
NaA1 0 0 .25 .4 1.0 |
|
NaA2 1/3 2/3 0 .8 1.2 |
|
MgM1 1/3 2/3 .25 .925 1.9 |
|
CuM1 1/3 2/3 .25 .075 1.9 |
|
MgM2 .5 0 .25 .3833 1.0 |
|
CuM2 .5 0 .25 .6167 1.0 |
|
Si .763 .109 .108 .4 |
|
O1 .738 .137 0 .9 |
|
O2 .942 .213 .138 .6 |
|
O3 .665 .156 .164 .4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
RbNaMg5Si12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013392 |
|
10.135 10.135 14.376 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
RbA1 0 0 .25 2.0 |
|
NaA2 1/3 2/3 0 .5 1.5 |
|
MgM1 1/3 2/3 .25 1.5 |
|
MgM2 .5 0 .25 .7 |
|
Si .761 .116 .107 1.0 |
|
O1 .730 .139 0 .6 |
|
O2 .942 .223 .136 1.0 |
|
O3 .658 .155 .163 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K3Mg4LiSi12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013393 |
|
10.253 10.253 14.04 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
KA1 0 0 .25 .6 |
|
KA2 1/3 2/3 0 .4 |
|
MgM1 1/3 2/3 .25 1.6 |
|
MgM2 .5 0 .25 .6667 .8 |
|
LiM2 .5 0 .25 .3333 .8 |
|
Si .767 .109 .112 .9 |
|
O1 .743 .118 0 .7 |
|
O2 .942 .209 .140 .6 |
|
O3 .659 .155 .169 .7 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na3Mg4LiSi12O30 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
Locality: synthetic |
|
_database_code_amcsd 0013394 |
|
10.155 10.155 14.158 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
NaA1 0 0 .25 2.6 |
|
NaA2 1/3 2/3 0 2.1 |
|
MgM1 1/3 2/3 .25 .9 |
|
MgM2 .5 0 .25 .6667 1.2 |
|
LiM1 .5 0 .25 .3333 1.2 |
|
Si .763 .110 .108 .8 |
|
O1 .738 .138 0 1.4 |
|
O2 .937 .207 .136 1.0 |
|
O3 .669 .160 .164 .7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 K2 Mg3 O30 Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001136 |
|
_database_code_amcsd 0013395 |
|
10.169 10.169 14.182 90 90 120 P6/mcc |
|
atom x y z occ |
|
K1 0 0 .25 |
|
K2 1/3 2/3 0 .5 |
|
Mg1 1/3 2/3 .25 .875 |
|
Mg2 .5 0 .25 .4167 |
|
Cu1 1/3 2/3 .25 .125 |
|
Cu2 .5 0 .25 .5833 |
|
Si1 .764 .11 .11 |
|
O1 .747 .131 0 |
|
O2 .931 .212 .14 |
|
O3 .662 .157 .165 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2 Mg3 O30 Si12 Zn2 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001137 |
|
_database_code_amcsd 0013396 |
|
10.199 10.199 14.145 90 90 120 P6/mcc |
|
atom x y z occ |
|
K1 0 0 .25 |
|
K2 1/3 2/3 0 .5 |
|
Mg1 1/3 2/3 .25 |
|
Mg2 .5 0 .25 .3333 |
|
Zn1 .5 0 .25 .6667 |
|
Si1 .767 .114 .112 |
|
O1 .733 .114 0 |
|
O2 .945 .218 .136 |
|
O3 .651 .158 .172 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mg5 Na2 O30 Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001138 |
|
_database_code_amcsd 0013397 |
|
10.151 10.151 14.288 90 90 120 P6/mcc |
|
atom x y z occ |
|
Na1 0 0 .25 .6 |
|
Na2 1/3 2/3 0 .7 |
|
Mg1 1/3 2/3 .25 |
|
Mg2 .5 0 .25 |
|
Si1 .764 .116 .111 |
|
O1 .73 .123 0 |
|
O2 .945 .213 .135 |
|
O3 .652 .156 .171 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Mg3 Na2 O30 Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001139 |
|
_database_code_amcsd 0013398 |
|
10.096 10.096 14.25 90 90 120 P6/mcc |
|
atom x y z occ |
|
Na1 0 0 .25 .4 |
|
Na2 1/3 2/3 0 .8 |
|
Mg1 1/3 2/3 .25 .925 |
|
Mg2 .5 0 .25 .3833 |
|
Cu1 1/3 2/3 .25 .075 |
|
Cu2 .5 0 .25 .6167 |
|
Si1 .763 .109 .108 |
|
O1 .738 .137 0 |
|
O2 .942 .213 .138 |
|
O3 .665 .156 .164 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg5 Na O30 Rb Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001140 |
|
_database_code_amcsd 0013399 |
|
10.135 10.135 14.376 90 90 120 P6/mcc |
|
atom x y z occ |
|
Rb1 0 0 .25 |
|
Na1 1/3 2/3 0 .5 |
|
Mg1 1/3 2/3 .25 |
|
Mg2 .5 0 .25 |
|
Si1 .761 .116 .107 |
|
O1 .73 .139 0 |
|
O2 .942 .223 .136 |
|
O3 .658 .155 .163 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K3 Li Mg4 O30 Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001141 |
|
_database_code_amcsd 0013400 |
|
10.253 10.253 14.04 90 90 120 P6/mcc |
|
atom x y z occ |
|
K1 0 0 .25 |
|
K2 1/3 2/3 0 |
|
Mg1 1/3 2/3 .25 |
|
Mg2 .5 0 .25 .6667 |
|
Li1 .5 0 .25 .3333 |
|
Si1 .767 .109 .112 |
|
O1 .743 .118 0 |
|
O2 .942 .209 .14 |
|
O3 .659 .155 .169 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li Mg4 Na3 O30 Si12 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Journal of Solid State Chemistry 34 (1980) 1-9 |
|
Silicates synthetiques a structure milarite |
|
_cod_database_code 1001142 |
|
_database_code_amcsd 0013401 |
|
10.155 10.155 14.158 90 90 120 P6/mcc |
|
atom x y z occ |
|
Na1 0 0 .25 |
|
Na2 1/3 2/3 0 |
|
Mg1 1/3 2/3 .25 |
|
Mg2 .5 0 .25 .6667 |
|
Li1 .5 0 .25 .3333 |
|
Si1 .763 .11 .108 |
|
O1 .738 .138 0 |
|
O2 .937 .207 .136 |
|
O3 .669 .16 .164 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu La0.74 O4 Sr1.2 |
| |
Nguyen N, Choisnet J, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 39 (1981) 120-127 |
|
Oxygen Defect K2NiF4-Type Oxides: The Compounds La2-xSrxCuO4-x/2+d |
|
_cod_database_code 1001204 |
|
_database_code_amcsd 0013418 |
|
18.804 18.804 12.941 90 90 90 I4/mmm |
|
atom x y z occ |
|
Sr1 0 0 .347 |
|
Sr2 .194 0 .359 .75 |
|
La1 .194 0 .359 .25 |
|
Sr3 .403 0 .356 .75 |
|
La2 .403 0 .356 .25 |
|
Sr4 .2 .2 .357 |
|
Sr5 .41 .41 .358 |
|
La3 .389 .192 .357 .9 |
|
Cu1 0 0 0 |
|
Cu2 .2 0 0 |
|
Cu3 .4 0 0 |
|
Cu4 .2 .2 0 |
|
Cu5 .405 .405 0 |
|
Cu6 .403 .205 0 |
|
O1 0 0 .168 |
|
O2 .216 0 .168 |
|
O3 .382 0 .168 |
|
O4 .182 .182 .172 |
|
O5 .4 .4 .168 |
|
O6 .4 .202 .163 |
|
O7 .1 0 0 |
|
O8 .3 0 0 |
|
O9 0 .5 0 |
|
O10 .214 .1 0 |
|
O11 .43 .1 0 |
|
O12 .3 .2 0 |
|
O13 .39 .31 0 |
|
O14 .2 .5 0 |
|
O15 .4 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca3 Mn3 O8.02 |
| |
Nguyen N, Calage Y, Varret F, Ferey G, Caignaert V, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 53 (1984) 398-405 |
|
The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly |
|
frustrated antiferromagnet |
|
_cod_database_code 1000194 |
|
_database_code_amcsd 0013529 |
|
5.332 11.13 5.455 90 90 90 Pm2a |
|
atom x y z occ |
|
Ca1 .25 .5 .75 |
|
Ca2 .24 .183 .7 .5 |
|
Ca3 .24 .834 .7 .5 |
|
Mn1 .27 .332 .259 .5 |
|
Mn2 .25 .665 .255 |
|
Mn3 .232 0 .237 .5 |
|
O1 0 .329 0 |
|
O2 0 .665 0 |
|
O3 0 .33 .5 |
|
O4 0 .66 .5 |
|
O5 .25 .5 .25 .7 |
|
O6 .25 .17 .25 |
|
O7 .25 .829 .25 |
|
O8 0 .01 0 |
|
O9 0 .01 .5 .3 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Fe8 Ni3 O22 Sb2 |
| |
Fuchs G, Nguyen N, Greneche J, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 61 (1986) 223-229 |
|
Antiferromagnetic 6L-Hexagonal ferrites, Ba2Sb2M3Fe8O22 (M = Zn,Mg,Ni,Co) |
|
_cod_database_code 1001674 |
|
_database_code_amcsd 0013568 |
|
5.882 5.882 14.237 90 90 120 P-3m1 |
|
atom x y z occ |
|
Ba1 1/3 2/3 .417 |
|
Fe1 1/3 2/3 .955 |
|
Ni1 0 0 .384 |
|
Sb1 1/3 2/3 .680 .66 |
|
Ni2 1/3 2/3 .680 .34 |
|
Sb2 0 0 0 .67 |
|
Ni3 0 0 0 .33 |
|
Fe2 .174 .348 .172 |
|
O1 0 0 .236 |
|
O2 1/3 2/3 .084 |
|
O3 .163 .326 .909 |
|
O4 .496 .992 .228 |
|
O5 .183 .366 .585 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Fe0.233 Mn0.767 O2.87 |
| |
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B |
| |
Journal of Solid State Chemistry 73 (1988) 107-117 |
|
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron |
|
Microscopy, Powder Neutron Diffraction, and Mossbauer Study |
|
_cod_database_code 1001348 |
|
_database_code_amcsd 0013610 |
|
5.687 5.687 14.167 90 90 120 P-6m2 |
|
atom x y z occ |
|
Ba1 0 0 0 |
|
Ba2 1/3 2/3 .5 |
|
Ba3 1/3 2/3 .178 |
|
Ba4 2/3 1/3 .342 |
|
Mn1 0 0 .243 .87 |
|
Fe1 0 0 .243 .13 |
|
Mn2 0 0 .417 .98 |
|
Fe2 0 0 .417 .02 |
|
Mn3 2/3 1/3 .113 .46 |
|
Fe3 2/3 1/3 .113 .54 |
|
O1 .848 .696 .5 |
|
O2 .523 .046 0 .74 |
|
O3 .836 .672 .166 |
|
O4 .152 .304 .329 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe2 O9 Pb0.78 Sr4 |
| |
Lucas S, Groult D, Nguyen N, Michel C, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 102 (1993) 20-30 |
|
Pb1-xSr4Fe2O9-d: a layered iron oxide intergrowth of 1201- and |
|
0201-type structures |
|
_cod_database_code 1001559 |
|
_database_code_amcsd 0013759 |
|
3.8349 3.8349 30.664 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 .060 0 0 .1962 |
|
Sr1 .5 .5 .0851 |
|
Sr2 .5 .5 .2054 |
|
Fe1 0 0 .1499 |
|
O1 0 0 .5 |
|
O2 .192 0 .0694 .25 |
|
O3 .5 0 .1441 |
|
O4 0 0 .2124 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Cu Nd1.6 O5 Sr0.4 |
| |
Barbey L, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 102 (1993) 156-163 |
|
Nd2BaCuO5-type structure: nickel in square planar coordination and |
|
copper mixed valency |
|
_cod_database_code 1001557 |
|
_database_code_amcsd 0013760 |
|
6.7226 6.7226 5.7932 90 90 90 P4/mbm |
|
atom x y z occ |
|
Ba1 .5 .5 .5 |
|
Nd1 .1737 .6737 0 .8 |
|
Sr1 .1737 .6737 0 .2 |
|
Cu1 .5 0 .5 |
|
O1 0 0 0 |
|
O2 .3686 .8686 .2623 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5 |
| |
Barbey L, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 102 (1993) 156-163 |
|
Nd2BaCuO5-type structure: nickel in square planar coordination and |
|
copper mixed valency |
|
_cod_database_code 1001558 |
|
_database_code_amcsd 0013761 |
|
6.6909 6.6909 5.7601 90 90 90 P4/mbm |
|
atom x y z occ |
|
Ba1 .5 .5 .5 |
|
Nd1 .1740 .6740 0 .9 |
|
Ca1 .1740 .6740 0 .1 |
|
Cu1 .5 0 .5 .6 |
|
Ni1 .5 0 .5 .4 |
|
O1 0 0 0 |
|
O2 .3593 .8593 .2674 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nd2Ba4Cu2O9 |
| |
Domenges B, Abbattista F, Michel C, Vallino M, Barbey L, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 106 (1993) 271-281 |
|
A one-dimensional cuprate closely related to the "0212"-structure: Nd2Ba4Cu2O9 |
|
_cod_database_code 1001569 |
|
_database_code_amcsd 0013784 |
|
12.0717 12.0717 3.8737 90 90 90 P-4n2 |
|
atom x y z |
|
Ba1 .1132 .1761 .75 |
|
Nd1 .3879 .1121 .25 |
|
Cu1 .1005 .3995 .25 |
|
O1 .404 .904 .25 |
|
O2 0 0 .5 |
|
O3 .245 .255 .25 |
|
O4 -.026 .300 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2.5 Co2 Cu3 Eu2.5 O12 |
| |
Barbey L, Domenges B, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 111 (1994) 238-246 |
|
Eu2.5Ba2.5Co2Cu3O12, an intergrowth of the "112" and "123" structures |
|
_cod_database_code 1001601 |
|
_database_code_amcsd 0013812 |
|
3.8935 3.8935 19.08499 90 90 90 P4/mmm |
|
atom x y z occ |
|
Eu1 .5 .5 .1996 |
|
Ba1 .5 .5 0 |
|
Eu2 .5 .5 .3892 .25 |
|
Ba2 .5 .5 .3892 .75 |
|
Cu1 0 0 .5 .333 |
|
Co1 0 0 .5 .667 |
|
Cu2 0 0 .2934 |
|
Cu3 0 0 .1077 .333 |
|
Co2 0 0 .1077 .667 |
|
O1 0 0 0 |
|
O2 .5 0 .122 |
|
O3 .5 0 .277 |
|
O4 0 0 .407 |
|
O5 .5 0 .5 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe2 O9 Pb1.01 Sr4 |
| |
Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 126-131 |
|
Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9: |
|
powder neutron diffraction and Mossbauer spectroscopy studies |
|
_cod_database_code 1001606 |
|
_database_code_amcsd 0013824 |
|
3.84845 3.84845 30.68379 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 0 .62 |
|
Pb2 .140 0 0 .0975 |
|
Sr1 .5 .5 .0855 |
|
Sr2 .5 .5 .2050 |
|
Fe1 0 0 .1512 |
|
O1 .141 0 .5 .25 |
|
O2 0 0 .0642 .0348 .0348 .0501 0 0 0 |
|
O3 .5 0 .1419 |
|
O4 0 0 .2145 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co1.6 Cu0.4 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001607 |
|
_database_code_amcsd 0013825 |
|
3.8724 3.8724 7.4953 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2678 .2 |
|
Co1 .5 .5 .2678 .8 |
|
O1 .5 0 .3088 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co1.2 Cu0.8 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001608 |
|
_database_code_amcsd 0013826 |
|
3.8675 3.8675 7.5238 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2720 .4 |
|
Co1 .5 .5 .2720 .6 |
|
O1 .5 0 .3128 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co1.1 Cu0.9 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001609 |
|
_database_code_amcsd 0013827 |
|
3.8666 3.8666 7.5266 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2734 .45 |
|
Co1 .5 .5 .2734 .55 |
|
O1 .5 0 .3130 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Cu Fe O5 Y |
| |
Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B |
| |
Journal of Solid State Chemistry 114 (1995) 24-35 |
|
Crystal and magnetic structure of Y Ba Cu Fe O5 |
|
_cod_database_code 1001640 |
|
_database_code_amcsd 0013833 |
|
3.8751 3.8751 7.6790 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2854 .5 |
|
Fe1 .5 .5 .2525 .5 |
|
O1 .5 .5 0 |
|
O2 .5 0 .3156 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu6 Fe2 La4.4 O20 Sr3.6 |
| |
Genouel R, Michel C, Nguyen N, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 115 (1995) 469-475 |
|
Ordered substitution of iron for copper in the tetragonal perovskite |
|
La6.4 Sr1.6 Cu8 O20 |
|
_cod_database_code 1001647 |
|
_database_code_amcsd 0013851 |
|
10.7807 10.7807 3.8987 90 90 90 P4/mbm |
|
atom x y z occ |
|
La1 .2567 .4723 .5 .55 |
|
Sr1 .2567 .4723 .5 .45 |
|
Fe1 0 0 0 |
|
Cu2 .5 0 0 |
|
Cu3 .2244 .7244 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 |
|
O3 .211 .711 .5 |
|
O4 .383 .883 0 |
|
O5 .153 .094 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co Cu0.5 Fe0.5 O5 Y |
| |
Barbey L, Nguyen N, Ducouret A, Caignaert V, Greneche J, Raveau B |
| |
Journal of Solid State Chemistry 115 (1995) 514-520 |
|
Magnetic behaviour of the "112" type substituted cuprate YBaCoCu1-xFexO5 |
|
_cod_database_code 1001648 |
|
_database_code_amcsd 0013856 |
|
3.8785 3.8785 7.5441 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Co1 .5 .5 .2652 .5 |
|
Cu1 .5 .5 .2652 .25 |
|
Fe1 .5 .5 .2652 .25 |
|
O1 .5 0 .3123 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 |
| |
Nguyen N, Groult D, Boullay P, Michel C, Raveau B |
| |
Journal of Solid State Chemistry 132 (1997) 308-314 |
|
New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0 |
|
the Tl-2212-type structure |
|
_cod_database_code 1001812 |
|
_database_code_amcsd 0013937 |
|
3.8445 3.8445 30.09799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .2862 .701 |
|
Hg1 0 0 .2862 .234 |
|
Ba1 0 0 .1300 .30 |
|
Sr1 0 0 .1300 .70 |
|
Ba2 0 0 0 .40 |
|
Sr2 0 0 0 .60 |
|
Fe1 0 0 .4360 |
|
O1 0 0 .5 |
|
O2 0 0 .354 |
|
O3 .11 0 .221 .219 |
|
O4 0 .5 .4277 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
B0.8 Mn3.2 O10 Sr4 |
| |
Pelloquin D, Hervieu M, Michel C, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 134 (1997) 395-408 |
|
A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to |
|
the perovskite structure type |
|
_cod_database_code 1001822 |
|
_database_code_amcsd 0013946 |
|
3.7865 15.8540 7.6540 90 90 90 Amm2 |
|
atom x y z occ |
|
Mn1 0 0 .0078 |
|
Mn2 0 .25 0 |
|
B1 0 0 .5 .8 |
|
Mn3 0 0 .5 .2 |
|
Sr1 .5 .3665 .2538 |
|
Sr2 .5 .1263 .2284 |
|
O1 .5 0 0 |
|
O2 0 .1211 0 |
|
O3 .5 .2669 0 |
|
O4 0 .25 .25 |
|
O5 0 0 .3159 |
|
O6 0 .4243 -.0882 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 Hg0.4325 O9 Pb0.4325 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
| |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001752 |
|
_database_code_amcsd 0014208 |
|
3.8056 3.8056 30.48199 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .4325 |
|
Hg1 0 0 0 .4325 |
|
Sr1 .5 .5 .0837 |
|
Sr2 .5 .5 .2062 |
|
Fe1 0 0 .1507 |
|
O1 .29 .5 0 .25 |
|
O2 0 0 .069 |
|
O3 .5 0 .1483 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.395 Fe2 O9 Pb0.395 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
| |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001753 |
|
_database_code_amcsd 0014209 |
|
3.8084 3.8084 30.45299 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .215 |
|
Cd1 0 0 0 .215 |
|
Pb2 .102 0 0 .045 |
|
Cd2 .102 0 0 .045 |
|
Sr1 .5 .5 .0826 |
|
Sr2 .5 .5 .2052 |
|
Fe1 0 0 .1484 |
|
O1 .249 .5 0 .25 |
|
O2 0 0 .0687 |
|
O3 .5 0 .1447 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Belkovite |
|
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
Locality: synthetic |
|
_database_code_amcsd 0014242 |
|
8.981 8.981 7.840 90 90 120 P-62m |
|
atom x y z Biso |
|
Ba .593 0 .5 0 |
|
Nb .238 0 .239 0 |
|
Si 1/3 2/3 .203 .25 |
|
O1 1/3 2/3 0 .61 |
|
O2 .273 0 0 .69 |
|
O3 .819 0 .236 .74 |
|
O4 .489 .183 .284 .48 |
|
O5 .227 0 .5 .68 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba3Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014243 |
|
9.001 9.001 7.734 90 90 120 P-62m |
|
atom x y z Biso |
|
Ba .595 0 .5 2.14 |
|
Ta .242 0 .239 .80 |
|
Si 1/3 2/3 .207 .87 |
|
O1 1/3 2/3 0 1.55 |
|
O2 .314 0 0 1.27 |
|
O3 .809 0 .242 1.55 |
|
O4 .500 .174 .279 1.4 |
|
O5 .208 0 .5 1.62 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sr3Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014244 |
|
8.913 8.913 7.633 90 90 120 P-62m |
|
atom x y z Biso |
|
Sr .589 0 .5 1.18 |
|
Ta .242 0 .241 .54 |
|
Si 1/3 2/3 .209 1.72 |
|
O1 1/3 2/3 0 .74 |
|
O2 .307 0 0 2.94 |
|
O3 .799 0 .246 .80 |
|
O4 .498 .169 .278 .70 |
|
O5 .212 0 .5 2.93 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K6Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014245 |
|
9.066 9.066 7.873 90 90 120 P-62m |
|
atom x y z Biso |
|
K1 .586 0 .5 .27 |
|
K2 .61 0 0 2.8 |
|
Ta .239 0 .249 .90 |
|
Si 1/3 2/3 .208 1.25 |
|
O1 1/3 2/3 0 .60 |
|
O2 .262 0 0 .83 |
|
O3 .811 0 .260 .52 |
|
O4 .500 .176 .289 .88 |
|
O5 .242 0 .5 .73 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K6Nb6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014246 |
|
9.032 9.032 8.041 90 90 120 P-62m |
|
atom x y z Biso |
|
K1 .591 0 .5 2.79 |
|
K2 .604 0 0 .73 |
|
Nb .239 0 .234 .80 |
|
Si 1/3 2/3 .203 1.25 |
|
O1 1/3 2/3 0 .60 |
|
O2 .25 0 0 .10 |
|
O3 .816 0 .237 1.3 |
|
O4 .494 .176 .265 .10 |
|
O5 .268 0 .5 1.29 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba3 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_cod_database_code 1001102 |
|
_database_code_amcsd 0014247 |
|
9.001 9.001 7.734 90 90 120 P-62m |
|
atom x y z |
|
Ba1 .595 0 .5 |
|
Ta1 .242 0 .239 |
|
Si1 1/3 2/3 .207 |
|
O1 1/3 2/3 0 |
|
O2 .314 0 0 |
|
O3 .809 0 .242 |
|
O4 .5 .174 .279 |
|
O5 .208 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O26 Si4 Sr3 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_cod_database_code 1001103 |
|
_database_code_amcsd 0014248 |
|
8.913 8.913 7.633 90 90 120 P-62m |
|
atom x y z Uiso |
|
Sr1 .589 0 .5 .01494 |
|
Ta1 .242 0 .241 .00684 |
|
Si1 1/3 2/3 .209 .02178 |
|
O1 1/3 2/3 0 .00937 |
|
O2 .307 0 0 .03724 |
|
O3 .799 0 .246 .01013 |
|
O4 .498 .169 .278 .00887 |
|
O5 .212 0 .5 .03711 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K6 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de |
|
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et |
|
K6 M6 Si4 O26 (M= Nb, Ta) |
|
_cod_database_code 1001104 |
|
_database_code_amcsd 0014249 |
|
9.066 9.066 7.873 90 90 120 P-62m |
|
atom x y z |
|
K1 .586 0 .5 |
|
K2 .61 0 0 |
|
Ta1 .239 0 .249 |
|
Si1 1/3 2/3 .208 |
|
O1 1/3 2/3 0 |
|
O2 .262 0 0 |
|
O3 .811 0 .26 |
|
O4 .5 .176 .289 |
|
O5 .242 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K6 Nb6 O26 Si4 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
| |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de |
|
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et |
|
K6 M6 Si4 O26 (M= Nb, Ta) |
|
_cod_database_code 1001105 |
|
_database_code_amcsd 0014250 |
|
9.032 9.032 8.041 90 90 120 P-62m |
|
atom x y z |
|
K1 .591 0 .5 |
|
K2 .604 0 0 |
|
Nb1 .239 0 .234 |
|
Si1 1/3 2/3 .203 |
|
O1 1/3 2/3 0 |
|
O2 .25 0 0 |
|
O3 .816 0 .237 |
|
O4 .494 .176 .265 |
|
O5 .268 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba K4 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Raveau B |
| |
Materials Research Bulletin 12 (1977) 91-96 |
|
Silicotantalates et siliconiobates non-stoechiometriques: les composes |
|
K6-2x Bax Ta6 Si4 O26 (0 |
|
_cod_database_code 1001274 |
|
_database_code_amcsd 0014254 |
|
9.047 9.047 7.81 90 90 120 P-62m |
|
atom x y z occ |
|
Ba1 .586 0 .5 .3333 |
|
K1 .586 0 .5 .6667 |
|
K2 .61 0 0 .6667 |
|
Ta1 .239 0 .249 |
|
Si1 1/3 2/3 .208 |
|
O1 1/3 2/3 0 |
|
O2 .262 0 0 |
|
O3 .811 0 .269 |
|
O4 .5 .176 .289 |
|
O5 .242 0 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba1.5 K3 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Raveau B |
| |
Materials Research Bulletin 12 (1977) 91-96 |
|
Silicotantalates et siliconiobates non-stoechiometriques: les composes |
|
K6-2x Bax Ta6 Si4 O26 (0 |
|
_cod_database_code 1001275 |
|
_database_code_amcsd 0014255 |
|
9.035 9.035 7.79 90 90 120 P-62m |
|
atom x y z occ |
|
Ba1 .586 0 .5 .5 |
|
K1 .586 0 .5 .5 |
|
K2 .61 0 0 .5 |
|
Ta1 .239 0 .249 |
|
Si1 1/3 2/3 .208 |
|
O1 1/3 2/3 0 |
|
O2 .262 0 0 |
|
O3 .811 0 .269 |
|
O4 .5 .176 .289 |
|
O5 .242 0 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 La2 O6 Sr |
| |
Nguyen N, Er-Rakho L, Michel C, Choisnet J, Raveau B |
| |
Materials Research Bulletin 15 (1980) 891-897 |
|
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets |
|
type chlorure de sodium: les oxydes La2-x A1+x Cu2 O6-x/2 (A = Ca, Sr) |
|
_cod_database_code 1001291 |
|
_database_code_amcsd 0014285 |
|
3.865 3.865 19.887 90 90 90 I4/mmm |
|
atom x y z occ |
|
La1 0 0 0 .5 |
|
Sr1 0 0 0 .5 |
|
La2 0 0 .1783 .75 |
|
Sr2 0 0 .1783 .25 |
|
Cu1 0 0 .5913 |
|
O1 0 .5 .084 |
|
O2 0 0 .705 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 La1.9 O5.95 Sr1.1 |
| |
Nguyen N, Er-Rakho L, Michel C, Choisnet J, Raveau B |
| |
Materials Research Bulletin 15 (1980) 891-897 |
|
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets |
|
type chlorure de sodium: les oxydes La2-x A1+x Cu2 O6-x/2 (A = Ca, Sr) |
|
_cod_database_code 1001292 |
|
_database_code_amcsd 0014286 |
|
3.863 3.863 19.963 90 90 90 I4/mmm |
|
atom x y z occ |
|
La1 0 0 0 .5 |
|
Sr1 0 0 0 .5 |
|
La2 0 0 .1787 .71 |
|
Sr2 0 0 .1787 .29 |
|
Cu1 0 0 .5927 |
|
O1 0 .5 .081 |
|
O2 0 0 .708 .98 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca1.1 Cu2 La1.9 O5.95 |
| |
Nguyen N, Er-Rakho L, Michel C, Choisnet J, Raveau B |
| |
Materials Research Bulletin 15 (1980) 891-897 |
|
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets |
|
type chlorure de sodium: les oxydes La2-x A1+x Cu2 O6-x/2 (A = Ca, Sr) |
|
_cod_database_code 1001293 |
|
_database_code_amcsd 0014287 |
|
3.825 3.825 19.404 90 90 90 I4/mmm |
|
atom x y z occ |
|
La1 0 0 0 .1 |
|
Ca1 0 0 0 .9 |
|
La2 0 0 .1751 .9 |
|
Ca2 0 0 .1751 .1 |
|
Cu1 0 0 .5833 |
|
O1 0 .5 .080 |
|
O2 0 0 .705 .975 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 Eu1.3 O5.65 Sr1.7 |
| |
Nguyen N, Choisnet J, Raveau B |
| |
Materials Research Bulletin 17 (1982) 567-573 |
|
Intercroissances des structures de type Perovskite et Sr O deficitaires |
|
en oxygene: les oxydes Ln2-x Sr1+x Cu2 O6-x/2 (Ln = Sm, Eu, Gd) |
|
_cod_database_code 1001157 |
|
_database_code_amcsd 0014297 |
|
3.744 11.337 20.047 90 90 90 Immm |
|
atom x y z occ |
|
Eu1 0 0 0 |
|
Eu2 0 .291 0 |
|
Eu3 0 0 .197 .45 |
|
Sr1 0 0 .197 .55 |
|
Sr2 0 .326 .171 |
|
Cu1 0 0 .596 |
|
Cu2 0 .342 .6 |
|
O1 0 .168 .414 |
|
O2 0 .128 .104 .238 |
|
O3 .5 0 .123 |
|
O4 .5 0 .414 |
|
O5 0 0 .69 |
|
O6 0 .305 .699 |
|
O7 0 .352 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn2 O5 Sr2 |
| |
Caignaert V, Nguyen N, Hervieu M, Raveau B |
| |
Materials Research Bulletin 20 (1985) 479-484 |
|
Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square |
|
pyramidal coordination |
|
_cod_database_code 1001352 |
|
_database_code_amcsd 0014316 |
|
5.523 10.761 3.811 90 90 90 Pbam |
|
atom x y z |
|
Mn1 .2583 .1236 0 |
|
O1 .2790 .0912 .5 |
|
O2 .5530 .2259 0 |
|
O3 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe Li O7 P2 |
| |
Riou D, Nguyen N, Benloucif R, Raveau B |
| |
Materials Research Bulletin 25 (1990) 1363-1369 |
|
LiFeP2O7: Structure and magnetic properties |
|
_cod_database_code 1001451 |
|
_database_code_amcsd 0014354 |
|
4.8229 8.0813 6.9419 90 109.387 90 P2_1 |
|
atom x y z |
|
Li1 .803 .384 .819 |
|
Fe1 .21948 .25 .23398 |
|
P1 .7939 .47040 .41633 |
|
P2 .6008 .07093 .98019 |
|
O1 .4029 .0722 .1099 |
|
O2 .8141 .2156 .0198 |
|
O3 .1318 .0616 .3813 |
|
O4 .0619 .4302 .3611 |
|
O5 .2481 .4056 .0103 |
|
O6 .3985 .1016 .7475 |
|
O7 .6082 .3197 .4183 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O5 Y2 |
| |
Benloucif R, Nguyen N, Caignaert V, Raveau B |
| |
Materials Research Bulletin 26 (1991) 213-218 |
|
The solid solution Nd2-xYxBaNiO5, a progressive transition from a |
|
tridimensional to an unidimensional anti-ferromagnetic state |
|
_cod_database_code 1001501 |
|
_database_code_amcsd 0014357 |
|
3.760 5.762 11.339 90 90 90 Immm |
|
atom x y z |
|
Y1 .5 0 .7022 |
|
Ba1 0 0 0 |
|
Ni1 .5 .5 0 |
|
O1 0 .7599 .3504 |
|
O2 .5 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Co Cu O4.96 Y |
| |
Barbey L, Nguyen N, Caignaert V, Hervieu M, Raveau B |
| |
Materials Research Bulletin 27 (1992) 295-301 |
|
Mixed oxides of cobalt and copper with a double pyramidal layer structure |
|
_cod_database_code 1001549 |
|
_database_code_amcsd 0014364 |
|
3.8688 3.8688 7.5726 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Co1 .5 .5 .2649 .5 |
|
Cu1 .5 .5 .2649 .5 |
|
O1 .5 0 .3137 |
|
O2 .5 .5 0 .96 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
| |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001757 |
|
_database_code_amcsd 0015006 |
|
3.81474 3.81474 12.8293 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0763 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2004 |
|
Fe1 0 0 .3500 |
|
O1 .3860 .5 0 .25 |
|
O2 0 0 .1559 .016 .016 .024 0 0 0 |
|
O3 0 0 .5 |
|
O4 0 .5 .3356 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
| |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001758 |
|
_database_code_amcsd 0015007 |
|
3.81002 3.81002 12.7964 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0780 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2009 |
|
Fe1 0 0 .3500 |
|
O1 .3806 .5 0 .25 |
|
O2 0 0 .1629 .480 |
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O3 0 0 .1507 .520 |
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O4 0 0 .5 |
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O5 0 .5 .3359 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Ge4 K6 Nb6 O26 |
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Choisnet J, Nguyen N, Raveau B |
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Revue de Chimie Minerale 14 (1977) 311-317 |
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Etude du comportement du germanium dans les structures a tunnels de |
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section pentagonale: Les silicogermanates K6 Nb6 Gex Si4-x O26 |
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_cod_database_code 1001302 |
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_database_code_amcsd 0015382 |
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9.188 9.188 8.123 90 90 120 P-62m |
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atom x y z |
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K1 .610 0 .5 |
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K2 .599 0 0 |
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Ge1 1/3 2/3 .219 |
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Nb1 .232 0 .239 |
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O1 1/3 2/3 0 |
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O2 .228 0 0 |
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O3 .831 0 .292 |
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O4 .478 .166 .280 |
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O5 .256 0 .5 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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