|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
 |
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001007 |
|
_database_code_amcsd 0009592 |
|
8.753 8.753 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .5964 0 .4989 |
|
Nb1 .2463 0 0 |
|
O1 .8179 0 -.0076 |
|
O2 .2606 0 .4930 |
|
O3 .5030 .1854 -.0169 |
|
B1 1/3 2/3 -.0188 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
 |
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001008 |
|
_database_code_amcsd 0009593 |
|
34.01 34.01 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .1489 0 .4596 |
|
K2 .3983 0 .4585 |
|
K3 .6490 0 .4493 |
|
K4 .8996 0 .4687 |
|
K5 .1482 .2480 .4583 |
|
K6 .1492 .5 .4641 |
|
K7 .1502 .7523 .4543 |
|
K8 .1013 .3500 .4523 |
|
K9 .1003 .6009 .4583 |
|
K10 .3523 .6007 .4723 |
|
Nb1 .0617 0 0 |
|
Nb2 .3110 0 -.0738 |
|
Nb3 .5612 0 -.0664 |
|
Nb4 .8126 0 -.0140 |
|
Nb5 .0609 .2498 -.0648 |
|
Nb6 .0611 .4990 -.0277 |
|
Nb7 .0622 .7508 -.0733 |
|
Nb8 .1873 .4381 -.0676 |
|
Nb9 .1888 .6883 -.0204 |
|
Nb10 .4389 .6888 .0071 |
|
O1 .2053 0 -.0004 |
|
O2 .4537 0 -.0409 |
|
O3 .7067 0 -.0904 |
|
O4 .9546 0 -.0630 |
|
O5 .2032 .2468 .0021 |
|
O6 .2056 .4999 -.0313 |
|
O7 .2039 .7501 -.0425 |
|
O8 .0457 .2935 -.0372 |
|
O9 .0461 .5471 -.0489 |
|
O10 .2961 .5458 -.0668 |
|
O11 .0606 0 .4316 |
|
O12 .3100 0 .4544 |
|
O13 .5673 0 .4816 |
|
O14 .8166 0 .4672 |
|
O15 .0610 .2439 .4667 |
|
O16 .0644 .4970 .4528 |
|
O17 .0644 .7541 .4809 |
|
O18 .1848 .4305 .4519 |
|
O19 .1839 .6827 .4512 |
|
O20 .4341 .6811 .4512 |
|
O21 .1255 .0465 -.0867 |
|
O22 .1255 .2960 -.0151 |
|
O23 .1251 .5465 -.0364 |
|
O24 .1256 .7934 -.0691 |
|
O25 .3771 .0489 -.0044 |
|
O26 .3771 .2968 .0015 |
|
O27 .3751 .5475 -.0540 |
|
O28 .376 .7952 -.0674 |
|
O29 .6277 .0473 -.0204 |
|
O30 .6254 .2963 -.0015 |
|
O31 .6244 .5461 -.0191 |
|
O32 .6262 .7974 -.0847 |
|
O33 .8771 .0470 -.0385 |
|
O34 .8763 .2959 -.0374 |
|
O35 .8750 .5466 -.0568 |
|
O36 .2015 .0784 -.0725 |
|
B1 1/3 2/3 -.0142 |
|
B2 .0831 .1673 -.0496 |
|
B3 .0821 .4166 -.0269 |
|
B4 .1678 .3359 -.0386 |
|
B5 .1674 .5845 -.0540 |
|
B6 .0822 .6654 -.0115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 |
| |
Archaimbault F, Choisnet J, Hervieu M, Raveau B |
|   |
Annales de Chimie (Paris) (Vol=Year) 12 (1987) 23-32 |
|
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4: |
|
Les Oxydes Ca1-x Lix (Fe2-x Sn x) O4 (0 < x <=0.60) |
|
_cod_database_code 1001437 |
|
_database_code_amcsd 0012023 |
|
9.285 10.869 3.020 90 90 90 Pnam |
|
atom x y z occ |
|
Ca1 .774 .667 .25 .5 |
|
Li1 .774 .667 .25 .5 |
|
Fe1 .4363 .6085 .25 .75 |
|
Sn1 .4363 .6085 .25 .25 |
|
Fe2 .4105 .1051 .25 .75 |
|
Sn2 .4105 .1051 .25 .25 |
|
O1 .214 .167 .25 |
|
O2 .129 .458 .25 |
|
O3 .514 .785 .25 |
|
O4 .419 .425 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O4 Sn Zn2 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001187 |
|
_database_code_amcsd 0012266 |
|
8.65 8.65 8.65 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 |
|
Zn2 .625 .625 .625 .5 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.2 O4 Sn Zn1.8 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001188 |
|
_database_code_amcsd 0012267 |
|
8.71 8.71 8.71 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .8 |
|
Zn2 .625 .625 .625 .5 |
|
Cd1 0 0 0 .2 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.4 O4 Sn Zn1.6 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001189 |
|
_database_code_amcsd 0012268 |
|
8.76 8.76 8.76 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .67 |
|
Zn2 .625 .625 .625 .465 |
|
Cd1 0 0 0 .33 |
|
Cd2 .625 .625 .625 .035 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.6 O4 Sn Zn1.4 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001190 |
|
_database_code_amcsd 0012269 |
|
8.82 8.82 8.82 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .5 |
|
Zn2 .625 .625 .625 .45 |
|
Cd1 0 0 0 .5 |
|
Cd2 .625 .625 .625 .05 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.8 O4 Sn Zn1.2 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001191 |
|
_database_code_amcsd 0012270 |
|
8.88 8.88 8.88 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .36 |
|
Zn2 .625 .625 .625 .42 |
|
Cd1 0 0 0 .64 |
|
Cd2 .625 .625 .625 .08 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd O4 Sn Zn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001192 |
|
_database_code_amcsd 0012271 |
|
8.94 8.94 8.94 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .27 |
|
Zn2 .625 .625 .625 .365 |
|
Cd1 0 0 0 .73 |
|
Cd2 .625 .625 .625 .135 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd1.2 O4 Sn Zn0.8 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001193 |
|
_database_code_amcsd 0012272 |
|
8.98 8.98 8.98 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .22 |
|
Zn2 .625 .625 .625 .29 |
|
Cd1 0 0 0 .78 |
|
Cd2 .625 .625 .625 .21 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .395 .395 .395 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd1.5 O4 Sn Zn0.5 |
| |
Choisnet J, Deschanvres A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001194 |
|
_database_code_amcsd 0012273 |
|
9.03 9.03 9.03 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .15 |
|
Zn2 .625 .625 .625 .175 |
|
Cd1 0 0 0 .85 |
|
Cd2 .625 .625 .625 .325 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .395 .395 .395 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd1.6 O4 Sn Zn0.4 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001195 |
|
_database_code_amcsd 0012274 |
|
9.05 9.05 9.05 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .12 |
|
Zn2 .625 .625 .625 .14 |
|
Cd1 0 0 0 .88 |
|
Cd2 .625 .625 .625 .36 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .395 .395 .395 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al Ca O4 Y |
| |
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628 |
|
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07) |
|
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure |
|
_cod_database_code 1001545 |
|
_database_code_amcsd 0012580 |
|
3.6434 3.6434 11.871 90 90 90 I4/mmm |
|
atom x y z occ |
|
Y1 0 0 .3578 .5 |
|
Ca1 0 0 .3578 .5 |
|
Al1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .1679 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al Ca O4 Y |
| |
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628 |
|
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07) |
|
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure |
|
_cod_database_code 1001546 |
|
_database_code_amcsd 0012581 |
|
3.6750 3.6750 12.011 90 90 90 I4/mmm |
|
atom x y z occ |
|
Y1 0 0 .3570 .5 |
|
Ca1 0 0 .3570 .5 |
|
Al1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .1654 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al0.93 Ca Cr0.07 O4 Y |
| |
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628 |
|
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07) |
|
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure |
|
_cod_database_code 1001547 |
|
_database_code_amcsd 0012582 |
|
3.6526 3.6526 11.864 90 90 90 I4/mmm |
|
atom x y z occ |
|
Y1 0 0 .3592 .5 |
|
Ca1 0 0 .3592 .5 |
|
Al1 0 0 0 .93 |
|
Cr1 0 0 0 .07 |
|
O1 0 .5 0 |
|
O2 0 0 .1712 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al0.93 Ca Cr0.07 O4 Y |
| |
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628 |
|
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07) |
|
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure |
|
_cod_database_code 1001548 |
|
_database_code_amcsd 0012583 |
|
3.6810 3.6810 12.015 90 90 90 I4/mmm |
|
atom x y z occ |
|
Y1 0 0 .3565 .5 |
|
Ca1 0 0 .3565 .5 |
|
Al1 0 0 0 .93 |
|
Cr1 0 0 0 .07 |
|
O1 0 .5 0 |
|
O2 .105 0 .1622 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li2 O6 Te Ti |
| |
Crosnier M, Delarue E, Choisnet J, Fourquet J |
|   |
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332 |
|
Li^+^-H^+^ exchange on Li2TiTeO6 |
|
_cod_database_code 1000334 |
|
_database_code_amcsd 0012626 |
|
5.0743 4.9067 8.4083 90 90 90 Pnn2 |
|
atom x y z occ |
|
Li1 0 0 .599 |
|
Li2 0 .5 .742 |
|
Ti1 0 .5 .3066 .915 |
|
Te1 0 .5 .3066 .085 |
|
Te2 0 0 0 .915 |
|
Ti2 0 0 0 .085 |
|
O1 .153 .242 .159 |
|
O2 .681 .208 .976 |
|
O3 .828 .791 .815 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H1.68 Li0.32 O6 Te Ti |
| |
Crosnier M, Delarue E, Choisnet J, Fourquet J |
|   |
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332 |
|
Li^+^-H^+^ exchange on Li2TiTeO6 |
|
_cod_database_code 1000335 |
|
_database_code_amcsd 0012627 |
|
5.0098 4.7020 8.6118 90 90 90 Pnnm |
|
atom x y z occ |
|
Ti1 0 0 .362 .188 |
|
Ti2 0 .5 .2975 .312 |
|
Te1 0 0 0 |
|
O1 .183 .225 .1657 |
|
O2 .312 .749 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H1.68 Li0.32 O6 Te Ti |
| |
Crosnier M, Delarue E, Choisnet J, Fourquet J |
|   |
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332 |
|
Li^+^-H^+^ exchange on Li2TiTeO6 |
|
_cod_database_code 1000336 |
|
_database_code_amcsd 0012628 |
|
4.6861 4.6861 8.8707 90 90 90 P4_2nm |
|
atom x y z occ |
|
Te1 0 0 0 .885 |
|
Ti1 0 0 0 .115 |
|
Te2 0 0 .3481 .115 |
|
Ti2 0 0 .3481 .885 |
|
O1 .291 .291 .028 |
|
O2 .300 .300 .351 |
|
O3 .307 .307 .674 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Nd2 O3.5 |
| |
Choisnet J, Mouron M, Crespin M, van Aken P, Mueller W |
|   |
Journal of Materials Chemistry 4 (1994) 895-898 |
|
Perovskite-like intergrowth structure of the reduced cuprate Nd2CuO3.5: |
|
a combination of defect and excess oxygen non-stoichiometry phenomena |
|
_cod_database_code 1001671 |
|
_database_code_amcsd 0013071 |
|
4.237 3.7675 11.917 90 90 90 Immm |
|
atom x y z occ |
|
Nd1 0 0 .3481 |
|
Cu1 0 0 0 |
|
O1 .5 0 0 .90 |
|
O2 0 .5 0 .13 |
|
O3 .089 .057 .151 .23 |
|
O4 .5 0 .261 .315 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ce O6 Pt |
| |
Ouchetto K, Archaimbault F, Pineau A, Choisnet J |
|   |
Journal of Materials Science. Letters 10 (1991) 1277-1279 |
|
Chemical and structural characterization of a new barium ceroplatinate: |
|
Ba2CePtO6 a double perovskite mixed oxide |
|
_cod_database_code 1001469 |
|
_database_code_amcsd 0013127 |
|
8.4088 8.4088 8.4088 90 90 90 Fm3m |
|
atom x y z |
|
Ba1 .25 .25 .25 |
|
Ce1 .5 .5 .5 |
|
Pt1 0 0 0 |
|
O1 .2480 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
|
|   |
|
Ge3 K O9 Ta |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux germanates et silicates de type benitoite |
|
_cod_database_code 1001074 |
|
_database_code_amcsd 0013293 |
|
6.972 6.972 10.144 90 90 120 P-6c2 |
|
atom x y z |
|
K1 2/3 1/3 0 |
|
Ta1 1/3 2/3 0 |
|
Ge1 .072 .292 .25 |
|
O1 .255 .195 .25 |
|
O2 .098 .44 .11 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Rb Ta |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux qermanates et silicates de type benitoite |
|
_cod_database_code 1001075 |
|
_database_code_amcsd 0013294 |
|
7.041 7.041 10.116 90 90 120 P-6c2 |
|
atom x y z |
|
Rb1 2/3 1/3 0 |
|
Ta1 1/3 2/3 0 |
|
Ge1 .071 .289 .25 |
|
O1 .253 .193 .25 |
|
O2 .105 .45 .115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 Nb O9 Rb |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux germanates et silicates de type benitoite |
|
_cod_database_code 1001076 |
|
_database_code_amcsd 0013295 |
|
7.038 7.038 10.132 90 90 120 P-6c2 |
|
atom x y z |
|
Rb1 2/3 1/3 0 |
|
Nb1 1/3 2/3 0 |
|
Ge1 .071 .289 .25 |
|
O1 .253 .193 .25 |
|
O2 .098 .44 .11 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Ta Tl |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux germanates et silicates de type benitoite |
|
_cod_database_code 1001077 |
|
_database_code_amcsd 0013296 |
|
7.036 7.036 10.124 90 90 120 P-6c2 |
|
atom x y z |
|
Tl1 2/3 1/3 0 |
|
Ta1 1/3 2/3 0 |
|
Ge1 .071 .289 .25 |
|
O1 .253 .193 .25 |
|
O2 .098 .44 .11 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Ge3 O9 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux germanates et silicates de type benitoite |
|
_cod_database_code 1001078 |
|
_database_code_amcsd 0013297 |
|
6.894 6.894 10.233 90 90 120 P-6c2 |
|
atom x y z |
|
Ba1 2/3 1/3 0 |
|
Sn1 1/3 2/3 0 |
|
Ge1 .072 .295 .25 |
|
O1 .258 .197 .25 |
|
O2 .09 .439 .109 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pabstite |
 |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 4 (1972) 209-218 |
|
Sur de nouveaux germanates et silicates de type benitoite |
|
_cod_database_code 1001773 |
|
_database_code_amcsd 0013298 |
|
6.728 6.728 9.838 90 90 120 P-6c2 |
|
atom x y z |
|
Ba1 2/3 1/3 0 |
|
Sn1 1/3 2/3 0 |
|
Si1 .07 .285 .25 |
|
O1 .25 .191 .25 |
|
O2 .087 .424 .109 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2 O9 Si3 Ti |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001111 |
|
_database_code_amcsd 0013317 |
|
6.774 6.774 9.922 90 90 120 P6_3/m |
|
atom x y z |
|
K1 1/3 .6666 .0593 |
|
Ti1 0 0 0 |
|
Si1 .3784 .2437 .25 |
|
O1 .4975 .0865 .25 |
|
O2 .255 .2307 .1146 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O9 Rb2 Si3 Ti |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001112 |
|
_database_code_amcsd 0013318 |
|
6.896 6.896 9.943 90 90 120 P6_3/m |
|
atom x y z |
|
Rb1 1/3 .6666 .0607 |
|
Ti1 0 0 0 |
|
Si1 .3791 .2399 .25 |
|
O1 .4956 .0898 .25 |
|
O2 .2504 .2111 .115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2 O9 Si3 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001113 |
|
_database_code_amcsd 0013319 |
|
6.86 6.86 10.12 90 90 120 P6_3/m |
|
atom x y z |
|
K1 1/3 .6666 .0579 |
|
Sn1 0 0 0 |
|
Si1 .3847 .2546 .25 |
|
O1 .4933 .0869 .25 |
|
O2 .2539 .2439 .1076 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O9 Rb2 Si3 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001114 |
|
_database_code_amcsd 0013320 |
|
6.943 6.943 10.04 90 90 120 P6_3/m |
|
atom x y z |
|
Rb1 1/3 .6666 .0619 |
|
Sn1 0 0 0 |
|
Si1 .3874 .2471 .25 |
|
O1 .5061 .0975 .25 |
|
O2 .2525 .2246 .1198 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Ti Tl2 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001115 |
|
_database_code_amcsd 0013321 |
|
6.99 6.99 10.267 90 90 120 P6_3/m |
|
atom x y z |
|
Tl1 1/3 .6666 .0557 |
|
Ti1 0 0 0 |
|
Ge1 .3676 .2432 .25 |
|
O1 .4652 .0642 .25 |
|
O2 .2202 .2187 .1159 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2 Ge3 O9 Ti |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001116 |
|
_database_code_amcsd 0013322 |
|
7.191 7.191 10.36 90 90 120 P6_3/m |
|
atom x y z |
|
Cs1 1/3 .6666 .0599 |
|
Ti1 0 0 0 |
|
Ge1 .3713 .2287 .25 |
|
O1 .4885 .0799 .25 |
|
O2 .217 .1953 .122 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2 Ge3 O9 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001117 |
|
_database_code_amcsd 0013323 |
|
7.288 7.288 10.472 90 90 120 P6_3/m |
|
atom x y z |
|
Cs1 1/3 .6666 .0615 |
|
Sn1 0 0 0 |
|
Ge1 .3827 .2332 .25 |
|
O1 .4927 .0657 .25 |
|
O2 .2377 .2161 .1167 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 K2 O9 Ti |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001118 |
|
_database_code_amcsd 0013324 |
|
11.916 11.916 10.018 90 90 120 P-3c1 |
|
atom x y z |
|
K1 -.014 .3187 .4233 |
|
Ti1 0 0 0 |
|
Ti2 1/3 2/3 .4695 |
|
Ge1 0 .1798 .25 |
|
Ge2 .6774 .5208 .79 |
|
O1 0 .438 .25 |
|
O2 .8698 .9308 .9028 |
|
O3 .7985 .6591 .8415 |
|
O4 .7041 .4637 .669 |
|
O5 .6072 .4382 .9234 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Rb2 Ti |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001119 |
|
_database_code_amcsd 0013325 |
|
12.195 12.195 10.148 90 90 120 P-3c1 |
|
atom x y z |
|
Rb1 -.001 .3364 .4237 |
|
Ti1 0 0 0 |
|
Ti2 1/3 2/3 .4616 |
|
Ge1 0 .1784 .25 |
|
Ge2 .6652 .5183 .7813 |
|
O1 0 .4531 .25 |
|
O2 .7844 .6754 .7956 |
|
O3 .8111 .9026 .9033 |
|
O4 .6611 .4337 .6393 |
|
O5 .6456 .4371 .9384 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 K2 O9 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001120 |
|
_database_code_amcsd 0013326 |
|
12.082 12.082 10.181 90 90 120 P-3c1 |
|
atom x y z |
|
K1 -.009 .3218 .4269 |
|
Sn1 0 0 0 |
|
Sn2 1/3 2/3 .4655 |
|
Ge1 0 .1746 .25 |
|
Ge2 .6577 .5213 .7947 |
|
O1 0 .4658 .25 |
|
O2 .791 .6812 .8256 |
|
O3 .7938 .8977 .8888 |
|
O4 .728 .4705 .6732 |
|
O5 .6512 .436 .9276 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Rb2 Sn |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001121 |
|
_database_code_amcsd 0013327 |
|
12.305 12.305 10.205 90 90 120 P-3c1 |
|
atom x y z |
|
Rb1 -.001 .3383 .4257 |
|
Sn1 0 0 0 |
|
Sn2 1/3 2/3 .4699 |
|
Ge1 0 .1866 .25 |
|
Ge2 .6608 .5158 .7856 |
|
O1 0 .4529 .25 |
|
O2 .7824 .6692 .8425 |
|
O3 .8046 .9123 .8978 |
|
O4 .7369 .478 .6518 |
|
O5 .6405 .4361 .9392 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge3 O9 Sn Tl2 |
| |
Choisnet J, Deschanvres A, Raveau B |
|   |
Journal of Solid State Chemistry 7 (1973) 408-417 |
|
Evolution structural de nouveaux germanates et silicates de type |
|
Wadeite et de structure apparentee |
|
_cod_database_code 1001122 |
|
_database_code_amcsd 0013328 |
|
12.351 12.351 10.134 90 90 120 P-3c1 |
|
atom x y z |
|
Tl1 .016 .339 .4205 |
|
Sn1 0 0 0 |
|
Sn2 1/3 2/3 .4545 |
|
Ge1 0 .169 .25 |
|
Ge2 .6526 .5248 .7805 |
|
O1 0 .4907 .25 |
|
O2 .7842 .6697 .8205 |
|
O3 .8173 .8966 .8877 |
|
O4 .6835 .4641 .6393 |
|
O5 .6052 .4003 .9183 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb8 O21 |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001027 |
|
_database_code_amcsd 0013335 |
|
9.153 9.153 12.066 90 90 120 P6_3/mcm |
|
atom x y z |
|
K1 .598 0 .25 |
|
Nb1 .248 0 .099 |
|
Nb2 1/3 2/3 0 |
|
O1 .226 0 .25 |
|
O2 .792 0 .083 |
|
O3 .177 .494 .102 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb7 O21 Ti |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001028 |
|
_database_code_amcsd 0013336 |
|
9.107 9.107 12.011 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
K1 .590 0 .25 |
|
Nb1 .248 0 .096 .875 |
|
Ti1 .248 0 .096 .125 |
|
Nb2 1/3 2/3 0 .875 |
|
Ti2 1/3 2/3 0 .125 |
|
O1 .226 0 .25 |
|
O2 .794 0 .085 |
|
O3 .171 .495 .093 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Nb4 O21 Ti4 |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001029 |
|
_database_code_amcsd 0013337 |
|
9.040 9.040 11.767 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Ba1 .596 0 .25 |
|
Nb1 .244 0 .093 .5 |
|
Ti1 .244 0 .093 .5 |
|
Nb2 1/3 2/3 0 .5 |
|
Ti2 1/3 2/3 0 .5 |
|
O1 .238 0 .25 |
|
O2 .795 0 .086 |
|
O3 .173 .507 .107 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) 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) Download CIF data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
|   |
Journal of Solid State Chemistry 40 (1981) 344-351 |
|
Two Polymorphous Lithium Stannoferrites LiFeSnO4: A Ramsdellite- |
|
Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001219 |
|
_database_code_amcsd 0013458 |
|
3.066 5.066 9.874 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .86 .44 .25 |
|
Li2 .25 .97 .57 .25 |
|
Fe1 .25 .981 .1418 .5 |
|
Sn1 .25 .981 .1418 .5 |
|
O1 .25 .687 .284 |
|
O2 .25 .212 -.040 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe Li O4 Sn |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
|   |
Journal of Solid State Chemistry 40 (1981) 344-351 |
|
Two Polymorphous Lithium Stannoferrites Li Fe Sn O4: A Ramsdellite- |
|
Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001220 |
|
_database_code_amcsd 0013459 |
|
6.012 6.012 9.776 90 90 120 P6_3mc |
|
atom x y z occ |
|
Sn1 1/3 2/3 .497 |
|
Li1 1/6 -1/6 .214 .146 |
|
Fe1 1/6 -1/6 .214 .52 |
|
Sn2 1/6 -1/6 .214 .333 |
|
Li2 1/3 2/3 -.082 .56 |
|
Fe2 1/3 2/3 -.082 .44 |
|
Li3 0 0 .51 |
|
O1 0 0 .325 |
|
O2 1/3 2/3 .107 |
|
O3 .481 -.481 .342 |
|
O4 .160 -.160 .612 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al Cr2 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001227 |
|
_database_code_amcsd 0013487 |
|
5.796 5.796 9.466 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.116 |
|
Li2 0 0 .512 |
|
Cr1 .1724 -.1724 .2151 .6667 |
|
Al1 .1724 -.1724 .2151 .3333 |
|
Sb1 1/3 2/3 .4910 |
|
O1 0 0 .302 |
|
O2 1/3 2/3 .090 |
|
O3 .482 -.482 .346 |
|
O4 .165 -.165 .596 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al2 Cr Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001228 |
|
_database_code_amcsd 0013488 |
|
5.703 5.703 9.392 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.076 |
|
Li2 0 0 .555 |
|
Cr1 .1660 -.1660 .2503 .3333 |
|
Al1 .1660 -.1660 .2503 .6667 |
|
Sb1 1/3 2/3 .5202 |
|
O1 0 0 .338 |
|
O2 1/3 2/3 .165 |
|
O3 .490 -.490 .389 |
|
O4 .171 -.171 .652 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001229 |
|
_database_code_amcsd 0013489 |
|
5.867 5.867 9.542 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.097 |
|
Li2 0 0 .523 |
|
Cr1 .1710 -.1710 .2118 .6667 |
|
Fe1 .1710 -.1710 .2118 .3333 |
|
Sb1 1/3 2/3 .4914 |
|
O1 0 0 .310 |
|
O2 1/3 2/3 .101 |
|
O3 .475 -.475 .365 |
|
O4 .171 -.171 .598 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001230 |
|
_database_code_amcsd 0013490 |
|
5.923 5.923 9.641 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.072 .55 |
|
Fe1 1/3 2/3 -.072 .45 |
|
Li2 0 0 .510 .67 |
|
Fe2 0 0 .510 .33 |
|
Li3 .1697 -.1697 .204 .26 |
|
Fe3 .1697 -.1697 .204 .63 |
|
Sb1 .1697 -.1697 .204 .11 |
|
Sb2 1/3 2/3 .4802 .67 |
|
Fe4 1/3 2/3 .4802 .33 |
|
O1 0 0 .304 |
|
O2 1/3 2/3 .114 |
|
O3 .481 -.481 .344 |
|
O4 .180 -.180 .581 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001231 |
|
_database_code_amcsd 0013491 |
|
8.398 8.398 8.398 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 0 0 0 .3333 |
|
Cr1 0 0 0 .3333 |
|
Fe1 0 0 0 .1667 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Cr2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .1667 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .384 .384 .384 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001232 |
|
_database_code_amcsd 0013492 |
|
8.425 8.425 8.425 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 0 0 0 .3333 |
|
Fe1 0 0 0 .5 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .5 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .382 .382 .382 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000432 |
|
_database_code_amcsd 0013515 |
|
3.066 5.066 9.874 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .935 .466 .38 |
|
Li2 .25 .972 .605 .12 |
|
Fe1 .25 .9861 .1419 .5 |
|
Sn1 .25 .9861 .1419 .5 |
|
O1 .25 .7076 .2828 |
|
O2 .25 .2039 -.0394 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li.7Fe.375Sn.54O2 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000433 |
|
_database_code_amcsd 0013516 |
|
3.074 5.116 9.881 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .907 .423 .625 |
|
Li2 .25 .9663 .1362 .083 |
|
Fe1 .25 .9663 .1362 .375 |
|
Sn1 .25 .9663 .1362 .542 |
|
O1 .25 .6602 .2704 |
|
O2 .25 .2154 -.0347 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000434 |
|
_database_code_amcsd 0013517 |
|
6.012 6.012 9.776 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.095 .56 |
|
Fe1 1/3 2/3 -.095 .44 |
|
Li2 0 0 .502 |
|
Sn1 1/3 2/3 .4862 |
|
Li3 .1675 -.1675 .214 .1467 |
|
Fe2 .1675 -.1675 .214 .52 |
|
Sn2 .1675 -.1675 .214 .3333 |
|
O1 0 0 .3145 |
|
O2 1/3 2/3 .1076 |
|
O3 .4808 -.4808 .3464 |
|
O4 .1737 -.1737 .6036 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe4 Li4.66 O16 Sb2 Sn1.32 |
| |
Lacorre P, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 51 (1984) 44-52 |
|
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4 |
|
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4 |
|
_cod_database_code 1000196 |
|
_database_code_amcsd 0013519 |
|
5.950 5.950 9.701 90 90 120 P6_3mc |
|
atom x y z occ |
|
Sb1 1/3 2/3 .4999 .5723 |
|
Sn1 1/3 2/3 .4999 .3777 |
|
Fe1 1/3 2/3 .4999 .05 |
|
Fe2 .1692 -.1692 .2216 .53 |
|
Sb2 .1692 -.1692 .2216 .1446 |
|
Sn2 .1692 -.1692 .2216 .0954 |
|
Li1 .1692 -.1692 .2216 .23 |
|
Li2 1/3 2/3 -.075 .64 |
|
Fe3 1/3 2/3 -.075 .36 |
|
Li3 0 0 .510 |
|
O1 0 0 .3146 |
|
O2 1/3 2/3 .1216 |
|
O3 .4784 -.4784 .3609 |
|
O4 .1607 -.1607 .6077 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 Li2.33 O8 Sb Sn0.66 |
| |
Lacorre P, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 51 (1984) 44-52 |
|
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4 |
|
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4 |
|
_cod_database_code 1000197 |
|
_database_code_amcsd 0013520 |
|
3.031 5.045 9.798 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .925 .425 .25 |
|
Li2 .25 .91 .55 .25 |
|
Li3 .25 .974 .1396 .0833 |
|
Fe1 .25 .974 .1396 .5 |
|
Sb1 .25 .974 .1396 .25 |
|
Sn1 .25 .974 .1396 .1667 |
|
O1 .25 .725 .270 |
|
O2 .25 .219 -.043 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu0.6667 Fe0.6667 O3 Ti0.6667 |
| |
Mouron P, Odier P, Choisnet J |
|   |
Journal of Solid State Chemistry 60 (1985) 87-94 |
|
Titanates de cuivre substitues a structure bixbyite: Les composes |
|
Cu1-x Ti1-x Fe2x O3 (0.15 |
|
_cod_database_code 1001551 |
|
_database_code_amcsd 0013563 |
|
9.4312 9.4312 9.4312 90 90 90 Ia3 |
|
atom x y z occ |
|
Cu1 .25 .25 .25 .3333 |
|
Ti1 .25 .25 .25 .3333 |
|
Fe1 .25 .25 .25 .3333 |
|
Cu2 -.030 0 .25 .3333 |
|
Ti2 -.030 0 .25 .3333 |
|
Fe2 -.030 0 .25 .3333 |
|
O1 .377 .158 .395 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2.67 Li1.33 Nb1.33 O12 Ti2.67 |
| |
Mouron P, Choisnet J |
|   |
Journal of Solid State Chemistry 66 (1987) 311-317 |
|
New substituted copper titanates with the Ca Cu3 Ti4 O12 |
|
structure: Li (Cu3-x Lix) (Ti3-x M1+x) O12 (M(V)=Nb: |
|
12 |
|
_cod_database_code 1001354 |
|
_database_code_amcsd 0013594 |
|
7.4314 7.4314 7.4314 90 90 90 Im3 |
|
atom x y z occ |
|
Li1 .11 .06 0 .08 |
|
Cu1 0 .5 .5 .89 |
|
Li2 0 .5 .5 .11 |
|
Ti1 .25 .25 .25 .67 |
|
Nb1 .25 .25 .25 .33 |
|
O1 .310 .180 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li2 O6 Te Zr |
| |
Choisnet J, Rulmont A, Tarte P |
|   |
Journal of Solid State Chemistry 75 (1988) 124-135 |
|
Les tellurates mixtes Li2 Zr Te O6 et Li2 Hf Te O6: un nouveau |
|
phenomene d'ordre dans la famille corindon |
|
_cod_database_code 1001370 |
|
_database_code_amcsd 0013618 |
|
5.172 5.172 13.847 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .29 |
|
Li2 0 0 .76 |
|
Zr1 0 0 .993 |
|
Te1 0 0 .5 |
|
O1 .049 .355 .077 |
|
O2 .652 .962 .576 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Mo Na O4 |
| |
Rulmont A, Tarte P, Foumakoye G, Fransolet A, Choisnet J |
|   |
Journal of Solid State Chemistry 76 (1988) 18-25 |
|
The disordered Spinel Na Ag Mo O4 and Its High Temperature, Ordered |
|
Orthorhombic Polymorph |
|
_cod_database_code 1001372 |
|
_database_code_amcsd 0013621 |
|
10.384 7.1220 5.5933 90 90 90 Pnma |
|
atom x y z occ |
|
Na1 .5 .5 .5 .94 |
|
Ag1 .5 .5 .5 .06 |
|
Ag2 .1384 .25 .509 .94 |
|
Na2 .1384 .25 .509 .06 |
|
Mo1 .316 .25 .0009 |
|
O1 .3559 .25 .2965 |
|
O2 .1595 .25 -.068 |
|
O3 .3760 -.9532 -.1254 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li2 O6 Te Ti |
| |
Choisnet J, Rulmont A, Tarte P |
|   |
Journal of Solid State Chemistry 82 (1989) 272-278 |
|
Ordering phenomena in the Li Sb O3 type structure: The new mixed |
|
tellurates Li2 Ti Te O6 and Li2 Sn Te O6 |
|
_cod_database_code 1001856 |
|
_database_code_amcsd 0013666 |
|
5.072 4.903 8.402 90 90 90 Pnn2 |
|
atom x y z occ |
|
Li1 0 0 .723 |
|
Li2 0 .5 .790 |
|
Te1 0 0 .1057 .94 |
|
Ti2 0 0 .1057 .06 |
|
Te2 0 .5 .4026 .06 |
|
Ti1 0 .5 .4026 .94 |
|
O1 .166 .254 .257 |
|
O2 .669 .207 .078 |
|
O3 .829 .793 .938 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La1.6 Ni O3.5 Sr0.4 |
| |
Crespin M, Bassat J, Odier P, Mouron P, Choisnet J |
|   |
Journal of Solid State Chemistry 84 (1990) 165-170 |
|
Synthesis and crystallographic characterization of the mixed-valence |
|
reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47 |
|
_cod_database_code 1001696 |
|
_database_code_amcsd 0013671 |
|
3.8728 3.7242 12.767 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3610 .8 |
|
Sr1 0 0 .3610 .2 |
|
Ni1 0 0 0 |
|
O1 0 0 .173 |
|
O2 .5 0 0 .85 |
|
O3 0 .5 0 .65 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe1.175 Na0.875 O4 Sb0.3 Ti0.525 |
| |
Archaimbault F, Choisnet J |
|   |
Journal of Solid State Chemistry 90 (1991) 216-227 |
|
The defect solution |
|
Na7/8(Fe^III^7/8+xTi^IV^9/8$/2xSb^V^x)O4(0 |
|
Evidence of Na^I^ mobility in the tunnels of a quadruple rutile-chain |
|
structure |
|
_cod_database_code 1001512 |
|
_database_code_amcsd 0013694 |
|
9.35 11.382 2.993 90 90 90 Pnam |
|
atom x y z occ |
|
Na1 .398 .1018 .75 .875 |
|
Fe1 .0227 .1203 .25 .524 |
|
Ti1 .0227 .1203 .25 .411 |
|
Sb1 .0227 .1203 .25 .065 |
|
Fe2 .2341 .3406 .75 .651 |
|
Ti2 .2341 .3406 .75 .114 |
|
Sb2 .2341 .3406 .75 .235 |
|
O1 .124 .188 .75 |
|
O2 .121 .406 .25 |
|
O3 .355 .267 .25 |
|
O4 .389 .460 .75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La Ni O3.43 Sr |
| |
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J |
|   |
Journal of Solid State Chemistry 100 (1992) 281-291 |
|
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type |
|
structure |
|
_cod_database_code 1001513 |
|
_database_code_amcsd 0013749 |
|
3.8666 3.7281 12.644 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3586 .5 |
|
Sr1 0 0 .3586 .5 |
|
Ni1 0 0 0 |
|
O1 0 0 .164 |
|
O2 .5 0 0 |
|
O3 0 .5 0 .43 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La Ni O3.09 Sr |
| |
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J |
|   |
Journal of Solid State Chemistry 100 (1992) 281-291 |
|
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type |
|
structure |
|
_cod_database_code 1001514 |
|
_database_code_amcsd 0013750 |
|
3.853 3.566 12.869 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3587 .5 |
|
Sr1 0 0 .3587 .5 |
|
Ni1 0 0 0 |
|
O1 0 0 .159 |
|
O2 .5 0 0 .89 |
|
O3 0 .5 0 .20 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3 Ga2 O12 Si Sn2 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
|   |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001561 |
|
_database_code_amcsd 0013773 |
|
12.485 12.485 12.485 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .3333 |
|
O1 .962 .05 .157 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3 Ga2 O12 Si0.95 Sn2.05 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
|   |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001562 |
|
_database_code_amcsd 0013774 |
|
12.494 12.494 12.494 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .3167 |
|
Sn2 .375 0 .25 .0166 |
|
O1 .963 .049 .155 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3 Ga2 O12 Si0.05 Sn2.95 |
| |
Rulmont A, Tarte P, Cartie B, Choisnet J |
|   |
Journal of Solid State Chemistry 104 (1993) 165-176 |
|
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0 |
|
tetrahedral coordination of Sn^4+^ in the garnet structure |
|
_cod_database_code 1001563 |
|
_database_code_amcsd 0013775 |
|
12.679 12.679 12.679 90 90 90 Ia3d |
|
atom x y z occ |
|
Ca1 .125 0 .25 |
|
Sn1 0 0 0 |
|
Ga1 .375 0 .25 .6667 |
|
Si1 .375 0 .25 .0166 |
|
Sn2 .375 0 .25 .3167 |
|
O1 .966 .048 .153 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li2 O6 Te Zr |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
|   |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001502 |
|
_database_code_amcsd 0014204 |
|
5.172 5.172 13.847 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .29 |
|
Li2 0 0 .76 |
|
Zr1 0 0 .993 |
|
Te1 0 0 .5 |
|
O1 .049 .355 .077 |
|
O2 .652 .962 .576 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li2 O6 Te Zr |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
|   |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001503 |
|
_database_code_amcsd 0014205 |
|
5.1732 5.1732 13.8508 90 90 120 R3 |
|
atom x y z |
|
Li1 0 0 .286 |
|
Li2 0 0 .765 |
|
Zr1 0 0 .0002 |
|
Te1 0 0 .4942 |
|
O1 .056 .36 .071 |
|
O2 .646 .96 .577 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li1.75 Nb0.25 O6 Te Zr0.75 |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
|   |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001504 |
|
_database_code_amcsd 0014206 |
|
5.167 5.167 13.795 90 90 120 R3 |
|
atom x y z occ |
|
Li1 0 0 .30 .95 |
|
Li2 0 0 .76 .8 |
|
Zr1 0 0 .989 .75 |
|
Nb1 0 0 .989 .25 |
|
Te1 0 0 .501 |
|
O1 .049 .351 .084 |
|
O2 .655 .962 .575 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li1.75 Nb1.75 O6 Te0.25 |
| |
Archaimbault F, Choisnet J, Rulmont A, Tarte P |
|   |
Materials Chemistry and Physics 30 (1992) 245-252 |
|
Lithium defect and ordering phenomena in the new LiNbO3 like mixed |
|
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) |
|
_cod_database_code 1001505 |
|
_database_code_amcsd 0014207 |
|
5.148 5.148 13.763 90 90 120 R3c |
|
atom x y z occ |
|
Li1 0 0 .29 .875 |
|
Nb1 0 0 .984 .875 |
|
Te1 0 0 .984 .125 |
|
O1 .063 .369 .683 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La2 Mg O6 Pt |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001823 |
|
_database_code_amcsd 0014210 |
|
5.5919 5.6277 7.9140 90 90. 90 P2_1/n |
|
atom x y z occ |
|
La1 .5062 .5396 .2493 |
|
Mg1 .5 0 0 .9975 |
|
Pt1 .5 0 0 .0025 |
|
Mg2 0 .5 0 .0025 |
|
Pt2 0 .5 0 .9975 |
|
O1 .197 .211 .937 |
|
O2 .286 .701 .938 |
|
O3 .398 .981 .257 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La2 Ni O6 Pt |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001824 |
|
_database_code_amcsd 0014211 |
|
5.5741 5.6304 7.8973 90 90. 90 P2_1/n |
|
atom x y z occ |
|
La1 .501 .5461 .2494 |
|
Ni1 .5 0 0 .983 |
|
Pt1 .5 0 0 .017 |
|
Ni2 0 .5 0 .017 |
|
Pt2 0 .5 0 .983 |
|
O1 .209 .219 .939 |
|
O2 .285 .706 .944 |
|
O3 .398 .980 .254 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La2 O6 Pt Zn |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001825 |
|
_database_code_amcsd 0014212 |
|
5.5944 5.6879 7.9351 90 90. 90 P2_1/n |
|
atom x y z occ |
|
La1 .5130 .5487 .2494 |
|
Zn1 .5 0 0 .999 |
|
Pt1 .5 0 0 .001 |
|
Zn2 0 .5 0 .001 |
|
Pt2 0 .5 0 .999 |
|
O1 .208 .226 .932 |
|
O2 .278 .706 .934 |
|
O3 .387 .980 .258 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co La2 O6 Pt |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001826 |
|
_database_code_amcsd 0014213 |
|
5.5722 5.6459 7.8906 90 90. 90 P2_1/n |
|
atom x y z occ |
|
La1 .5138 .5452 .2493 |
|
Co1 .5 0 0 .914 |
|
Pt1 .5 0 0 .086 |
|
Co2 0 .5 0 .086 |
|
Pt2 0 .5 0 .914 |
|
O1 .204 .216 .942 |
|
O2 .291 .697 .955 |
|
O3 .403 .972 .255 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co O6 Pr2 Pt |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001827 |
|
_database_code_amcsd 0014214 |
|
5.4833 5.7043 7.7842 90 90. 90 P2_1/n |
|
atom x y z occ |
|
Pr1 .5138 .5603 .2497 |
|
Co1 .5 0 0 .95 |
|
Pt1 .5 0 0 .05 |
|
Co2 0 .5 0 .05 |
|
Pt2 0 .5 0 .95 |
|
O1 .200 .214 .938 |
|
O2 .294 .698 .958 |
|
O3 .391 .963 .257 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co Nd2 O6 Pt |
| |
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M |
|   |
Materials Chemistry and Physics 51 (1997) 117-124 |
|
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 |
|
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) |
|
_cod_database_code 1001828 |
|
_database_code_amcsd 0014215 |
|
5.4416 5.6975 7.7495 90 90. 90 P2_1/n |
|
atom x y z occ |
|
Nd1 .509 .5706 .2507 |
|
Co1 .5 0 0 .96 |
|
Pt1 .5 0 0 .04 |
|
Co2 0 .5 0 .04 |
|
Pt2 0 .5 0 .96 |
|
O1 .194 .212 .951 |
|
O2 .294 .702 .941 |
|
O3 .389 .965 .256 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Ge2.5 O9 Si1.5 |
| |
Goreaud M, Choisnet J, Deschanvres A, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 1205-1214 |
|
Synthese et Evolution Structurale de Nouveaux Silicogermanates |
|
BaGe(Ge3-xSix)O9 de Type Benitoite et de Structure Apparentee |
|
_cod_database_code 1001065 |
|
_database_code_amcsd 0014236 |
|
6.667 6.667 9.703 90 90 120 P-6c2 |
|
atom x y z occ |
|
Ba1 2/3 1/3 0 |
|
Si1 .0993 .3105 .25 .5 |
|
Ge1 1/3 2/3 0 |
|
Ge2 .0993 .3105 .25 .5 |
|
O1 .234 .1882 .25 |
|
O2 .1129 .4585 .1203 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Ge3.125 O9 Si0.875 |
| |
Goreaud M, Choisnet J, Deschanvres A, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 1205-1214 |
|
Synthese et Evolution Structurale de Nouveaux Silicogermanates |
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BaGe(Ge3-xSix)O9 de Type Benitoite et de Structure Apparentee |
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_cod_database_code 1001066 |
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_database_code_amcsd 0014237 |
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11.595 11.595 9.755 90 90 120 P31c |
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atom x y z occ |
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Ba1 1/3 1/3 0 |
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Si1 .1475 .4963 .2728 .2917 |
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Si2 .0405 .2098 .2282 .2917 |
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Si3 .8192 .2768 .256 .2917 |
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Ge1 0 0 0 |
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Ge2 1/3 2/3 0 |
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Ge3 1/3 2/3 .5 |
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Ge4 .1475 .4963 .2728 .7083 |
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Ge5 .0405 .2098 .2282 .7083 |
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Ge6 .8192 .2768 .256 .7083 |
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O1 .1741 .368 .24 |
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O2 .8632 .1642 .25 |
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O3 .9725 .4203 .2176 |
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O4 .2 .6058 .124 |
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O5 .176 .5995 .4084 |
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O6 .752 .2607 .103 |
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O7 .6925 .2097 .394 |
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O8 .0747 .1507 .0946 |
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O9 .0947 .1707 .3922 |
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Belkovite |
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Choisnet J, Nguyen N, Groult D, Raveau B |
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Materials Research Bulletin 11 (1976) 887-894 |
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De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
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Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
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Locality: synthetic |
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_database_code_amcsd 0014242 |
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8.981 8.981 7.840 90 90 120 P-62m |
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atom x y z Biso |
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Ba .593 0 .5 0 |
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Nb .238 0 .239 0 |
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Si 1/3 2/3 .203 .25 |
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O1 1/3 2/3 0 .61 |
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O2 .273 0 0 .69 |
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O3 .819 0 .236 .74 |
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O4 .489 .183 .284 .48 |
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O5 .227 0 .5 .68 |
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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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Ba3Ta6Si4O26 |
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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: |
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Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
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_database_code_amcsd 0014243 |
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9.001 9.001 7.734 90 90 120 P-62m |
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atom x y z Biso |
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Ba .595 0 .5 2.14 |
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Ta .242 0 .239 .80 |
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Si 1/3 2/3 .207 .87 |
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O1 1/3 2/3 0 1.55 |
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O2 .314 0 0 1.27 |
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O3 .809 0 .242 1.55 |
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O4 .500 .174 .279 1.4 |
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O5 .208 0 .5 1.62 |
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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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Sr3Ta6Si4O26 |
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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) |
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_database_code_amcsd 0014244 |
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8.913 8.913 7.633 90 90 120 P-62m |
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atom x y z Biso |
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Sr .589 0 .5 1.18 |
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Ta .242 0 .241 .54 |
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Si 1/3 2/3 .209 1.72 |
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O1 1/3 2/3 0 .74 |
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O2 .307 0 0 2.94 |
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O3 .799 0 .246 .80 |
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O4 .498 .169 .278 .70 |
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O5 .212 0 .5 2.93 |
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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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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) |
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_database_code_amcsd 0014245 |
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9.066 9.066 7.873 90 90 120 P-62m |
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atom x y z Biso |
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K1 .586 0 .5 .27 |
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K2 .61 0 0 2.8 |
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Ta .239 0 .249 .90 |
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Si 1/3 2/3 .208 1.25 |
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O1 1/3 2/3 0 .60 |
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O2 .262 0 0 .83 |
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O3 .811 0 .260 .52 |
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O4 .500 .176 .289 .88 |
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O5 .242 0 .5 .73 |
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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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