|
Fe2 O5 P |
| |
Elkaim E, Berar J, Gleitzer C, Malaman B, Ijjaali M, Lecomte C |
 |
Acta Crystallographica B52 (1996) 428-431 |
|
Occurrence of a monoclinic distortion in beta-Fe2 P O5 |
|
_cod_database_code 1008736 |
|
_database_code_amcsd 0016617 |
|
7.2956 7.5605 7.2512 90 117.368 90 I2/a |
|
atom x y z |
|
Fe1 0 .5 0 |
|
Fe2 .75 .25 .25 |
|
O1 .561 .756 -.060 |
|
O2 .293 .490 .687 |
|
O3 .75 .3675 0 |
|
P1 .25 .1244 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F3 H4 Mn N |
| |
Laguna M, Sanjuan M, Orera V, Rubin J, Palacios E, Pique M, |
|
Bartolome J, Berar J |
| |
Journal of Physics: Condensed Matter 5 (1993) 283-300 |
|
X-ray and raman study of the low temperature NH4MnF3 |
|
structure;evidence of librational motion of the NH4^+^ ion |
|
_cod_database_code 1008535 |
|
_database_code_amcsd 0016428 |
|
5.952 8.543 5.949 90 90 90 Pnma |
|
atom x y z |
|
N1 .5 .25 0 |
|
Mn1 0 0 0 |
|
F1 .278 .014 .761 |
|
F2 0 .25 .019 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Elpasolite |
 |
Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
| |
Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
|
Rietveld refinement of the incommensurate structure of the elpasolite |
|
(ordered perovskite) Pb2 Mg Te O6 |
|
_cod_database_code 1008898 |
|
_database_code_amcsd 0016765 |
|
7.9976 7.9976 7.9976 90 90 90 Fm3m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .2608 0 0 .0052 .0220 .0220 0 0 0 |
|
Pb1 .25 .25 .25 |
|
Te1 .5 .5 .5 |
|
Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Elpasolite |
|
Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
| |
Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
|
Rietveld refinement of the incommensurate structure of the elpasolite |
|
(ordered perovskite) Pb2 Mg Te O6 |
|
_cod_database_code 1008899 |
|
_database_code_amcsd 0016766 |
|
7.9838 7.9838 7.9838 90 90 90 Fm3m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .2607 0 0 .0026 .0194 .0194 0 0 0 |
|
Pb1 .25 .25 .25 |
|
Te1 .5 .5 .5 |
|
Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Elpasolite |
|
Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
| |
Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
|
Rietveld refinement of the incommensurate structure of the elpasolite |
|
(ordered perovskite) Pb2 Mg Te O6 |
|
_cod_database_code 1008900 |
|
_database_code_amcsd 0016767 |
|
5.6447 5.6447 5.6447 59.923 59.923 59.923 R-3 |
|
atom x y z occ |
|
O1 .2408 .7384 .7559 |
|
Pb1 .248 .224 .274 .3333 |
|
Te1 .5 .5 .5 |
|
Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O8 Pb3 V2 |
| |
Garnier P, Calvarin G, Berar J, Weigel D |
| |
Materials Research Bulletin 19 (1984) 407-414 |
|
Etude des Phases Ferroelastiques de Pb3 V2 O8: Determination de |
|
la Maille Cristalline de la Phase $-alpha Ferroelectrique Basse Temperature |
|
_cod_database_code 1008163 |
|
_database_code_amcsd 0016103 |
|
7.460 6.191 9.348 90 116.63 90 A2 |
|
atom x y z |
|
Pb1 0 0 0 |
|
Pb2 .387 .551 .281 |
|
V1 .210 .024 .409 |
|
O1 .252 .309 .057 |
|
O2 .270 .703 .018 |
|
O3 .307 .951 .291 |
|
O4 .041 .484 .237 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O8 Pb3 V2 |
| |
Garnier P, Calvarin G, Berar J, Weigel D |
| |
Materials Research Bulletin 19 (1984) 407-414 |
|
Etude des Phases Ferroelastiques de Pb3 V2 O8: Determination de |
|
la Maille Cristalline de la Phase $-alpha Ferroelectrique Basse Temperature |
|
_cod_database_code 1008164 |
|
_database_code_amcsd 0016104 |
|
7.514 6.107 9.526 90 115.20 90 P2_1/c |
|
atom x y z |
|
Pb1 0 0 0 |
|
Pb2 .384 .582 .288 |
|
V1 .196 .234 .403 |
|
O1 .274 .269 .015 |
|
O2 .25 .706 .003 |
|
O3 .324 .96 .268 |
|
O4 .058 .545 .218 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Goethite |
|
Hazemann J, Berar J, Manceau A |
| |
Materials Science Forum 79 (1991) 821-826 |
|
Rietveld studies of the aluminium-iron substitution in synthetic |
|
goethite |
|
_cod_database_code 1008766 |
|
_database_code_amcsd 0016643 |
|
4.6188 9.9528 3.0236 90 90 90 Pbnm |
|
atom x y z |
|
Fe1 .0466 .8552 .25 |
|
O1 .714 .2006 .25 |
|
O2 .192 .0517 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Goethite |
|
Hazemann J, Berar J, Manceau A |
| |
Materials Science Forum 79 (1991) 821-826 |
|
Rietveld studies of the aluminium-iron substitution in synthetic |
|
goethite |
|
_cod_database_code 1008767 |
|
_database_code_amcsd 0016644 |
|
4.6158 9.9545 3.0233 90 90 90 Pbnm |
|
atom x y z |
|
Fe1 .0479 .8542 .75 |
|
O1 .708 .1988 .75 |
|
O2 .197 .0527 .75 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Goethite |
|
Hazemann J, Berar J, Manceau A |
| |
Materials Science Forum 79 (1991) 821-826 |
|
Rietveld studies of the aluminium-iron substitution in synthetic |
|
goethite |
|
_cod_database_code 1008768 |
|
_database_code_amcsd 0016645 |
|
4.6048 9.9595 3.023 90 90 90 Pbnm |
|
atom x y z |
|
Fe1 .0477 .8539 .25 |
|
O1 .708 .1996 .25 |
|
O2 .204 .0531 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diaspore |
|
Hazemann J, Berar J, Manceau A |
| |
Materials Science Forum 79 (1991) 821-826 |
|
Rietveld studies of the aluminium-iron substitution in synthetic |
|
goethite |
|
_cod_database_code 1008769 |
|
_database_code_amcsd 0016646 |
|
4.4031 9.4252 2.8452 90 90 90 Pbnm |
|
atom x y z |
|
Al1 .045 .8549 .25 |
|
O1 .713 .199 .25 |
|
O2 .2 .0537 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009013 |
|
_database_code_amcsd 0016875 |
|
10.6056 10.6056 10.6056 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96742 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39072 .15190 .38016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009014 |
|
_database_code_amcsd 0016876 |
|
10.5961 10.5961 10.5961 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96739 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39075 .15189 .38012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009015 |
|
_database_code_amcsd 0016877 |
|
10.5957 10.5957 10.5957 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96832 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39056 .15163 .38041 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O3 Y Zr |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009016 |
|
_database_code_amcsd 0016878 |
|
10.5392 10.5392 10.5392 90 90 90 Ia3 |
|
atom x y z occ |
|
Y1 -.0214 0 .25 .667 |
|
Zr1 -.0214 0 .25 .333 |
|
Zr2 .25 .25 .25 |
|
O1 .3814 .1494 .3795 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009017 |
|
_database_code_amcsd 0016879 |
|
10.5818 10.5818 10.5818 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96808 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39035 .15145 .38037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O3 Y Zr |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009018 |
|
_database_code_amcsd 0016880 |
|
10.515 10.515 10.515 90 90 90 Ia3 |
|
atom x y z occ |
|
Y1 -.018 0 .25 .667 |
|
Zr1 -.018 0 .25 .333 |
|
Zr2 .25 .25 .25 |
|
O1 .379 .149 .381 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009013 |
|
_database_code_amcsd 0016875 |
|
10.6056 10.6056 10.6056 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96742 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39072 .15190 .38016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009014 |
|
_database_code_amcsd 0016876 |
|
10.5961 10.5961 10.5961 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96739 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39075 .15189 .38012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009015 |
|
_database_code_amcsd 0016877 |
|
10.5957 10.5957 10.5957 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96832 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39056 .15163 .38041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009017 |
|
_database_code_amcsd 0016879 |
|
10.5818 10.5818 10.5818 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96808 0 .25 |
|
Y2 .25 .25 .25 |
|
O1 .39035 .15145 .38037 |
|
|
| 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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