|
Ba H2 O5 Ru |
| |
Nowogrocki G, Abraham F, Trehoux J, Thomas D |
 |
Acta Crystallographica B32 (1976) 2413-2419 |
|
Configuration de l'ion ruthenate: structure cristalline du |
|
dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O3 (O H)2) |
|
_cod_database_code 1004035 |
|
_database_code_amcsd 0009572 |
|
10.023 10.023 25.471 90 90 120 R-3c |
|
atom x y z |
|
Ba1 0 0 0 |
|
Ba2 0 0 .1637 |
|
Ru1 .3461 0 .25 |
|
O1 .1706 0 .25 |
|
O2 .4377 .0041 .1910 |
|
O3 .4594 .2346 .2502 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H9 In O12 S2 |
| |
Tudo J, Jolibois B, Laplace G, Nowogrocki G |
|
Acta Crystallographica B35 (1979) 1580-1583 |
|
Structure cristalline du sulfate acide d'indium(III) hydrate |
|
_cod_database_code 1004045 |
|
_database_code_amcsd 0009685 |
|
9.997 5.477 18.443 90 90 90 Pnam |
|
atom x y z |
|
In1 0 0 0 |
|
S1 .24034 .28039 .09149 |
|
O1 -.01137 .74873 .09093 |
|
O2 .24533 .49915 .13547 |
|
O3 .28457 .06446 .12996 |
|
O4 .32268 .30916 .02476 |
|
O5 .09998 .25349 .06732 |
|
O6 .39459 .56932 .25 |
|
O7 .63566 .57653 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi3 O11 Ru3 |
| |
Abraham F, Thomas D, Nowogrocki G |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 98 (1975) 25-29 |
|
Structure cristalline de Bi3 Ru3 O11 |
|
_cod_database_code 1004056 |
|
_database_code_amcsd 0012141 |
|
9.302 9.302 9.302 90 90 90 *Pn3 |
|
.25 .25 .25 |
|
atom x y z |
|
Bi1 0 0 0 |
|
Bi2 .38379 .38379 .38379 |
|
Ru1 .3897 .75 .25 |
|
O1 .590 .25 .25 |
|
O2 .152 .152 .152 |
|
O3 .599 .247 .547 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cl2 H18 N6 Ru |
| |
Trehoux J, Nowogrocki G, Thomas D |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 1384-1387 |
|
Determination de la structure du chlorure de ruthenium(II) hexaammine. |
|
Longueur de la liaison ruthenium(II) - azote. |
|
_cod_database_code 1004055 |
|
_database_code_amcsd 0012294 |
|
10.048 10.048 10.048 90 90 90 Fm3m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ru1 0 0 0 1.95 1.95 1.95 0 0 0 |
|
Cl1 .25 .25 .25 2.9 2.9 2.9 0 0 0 |
|
N1 .2127 0 0 2.4 4.1 4.1 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O3 W |
| |
Gerand B, Nowogrocki G, Guenot J, Figlarz M |
| |
Journal of Solid State Chemistry 29 (1979) 429-434 |
|
Structural study of a new hexagonal form of tungsten trioxide |
|
_cod_database_code 1004057 |
|
_database_code_amcsd 0013370 |
|
7.298 7.298 3.899 90 90 120 P6/mmm |
|
atom x y z |
|
W1 .5 0 0 |
|
O1 .5 0 .5 |
|
O2 .212 .424 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H0.66 O3.33 W |
| |
Gerand B, Nowogrocki G, Figlarz M |
| |
Journal of Solid State Chemistry 38 (1981) 312-320 |
|
A new tungsten trioxide hydrate, W O3 (H2 O)0.33: Preparation, |
|
characterization and crystallographic study |
|
_cod_database_code 1004050 |
|
_database_code_amcsd 0013416 |
|
7.359 12.513 7.704 90 90 90 Fmm2 |
|
atom x y z |
|
W1 .25 .25 0 |
|
W2 0 0 -.06 |
|
O1 0 .29 .04 |
|
O2 .17 .11 .01 |
|
O3 .25 .25 .25 |
|
O4 0 0 .21 |
|
O5 0 0 .70 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H12 In N3 O12 S3 |
| |
Jolibois B, Laplace G, Abraham F, Nowogrocki G |
| |
Journal of Solid State Chemistry 40 (1981) 69-74 |
|
Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds: |
|
The high temperature form of (N H4) In (S O4)3 |
|
_cod_database_code 1004126 |
|
_database_code_amcsd 0013421 |
|
15.531 15.531 9.163 90 90 120 R3c |
|
atom x y z |
|
N1 .4148 -.0260 .2761 |
|
In1 0 0 0 |
|
S1 .1738 .0261 .2479 |
|
O1 .0291 .1241 .1367 |
|
O2 .1282 .0209 .3882 |
|
O3 .2309 -.0224 .2653 |
|
O4 .2357 .1269 .2038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H O9 S2 Tl3 |
| |
Abraham F, Nowogrocki G, Jolibois B, Laplace G |
| |
Journal of Solid State Chemistry 47 (1983) 1-5 |
|
On Basic Thallium Sulfates: Structure of Tl2 Tl OH(SO4)2 |
|
_cod_database_code 1004058 |
|
_database_code_amcsd 0013502 |
|
7.758 17.587 7.356 90 119.91 90 Cc |
|
atom x y z |
|
Tl1 -.0445 .1131 .2167 |
|
Tl2 -.0330 .5206 .1911 |
|
Tl3 .25 .2467 0 |
|
S1 -.0266 .3222 .2417 |
|
S2 .4920 .4128 .2502 |
|
O1 -.1281 .3638 .0401 |
|
O2 .4115 .3569 .0688 |
|
O3 .6285 .4643 .2290 |
|
O4 -.1667 .2697 .2595 |
|
O5 .1311 .2742 .2499 |
|
O6 .3299 .4537 .2501 |
|
O7 .0515 .3739 .4205 |
|
O8 .6051 .3688 .4529 |
|
O9 .4853 .1959 .2821 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi0.79 Cd0.21 O1.395 |
| |
Graia T, Conflant P, Nowogrocki G, Boivin J, Thomas D |
| |
Journal of Solid State Chemistry 63 (1986) 160-165 |
|
Stability range and crystal structure of the oxygen-deficient b.c.c. |
|
solid solution Bi(1-x) Cdx O(1.5-x/2) (0.11 |
|
_cod_database_code 1004073 |
|
_database_code_amcsd 0013583 |
|
4.281 4.281 4.281 90 90 90 Im3m |
|
atom x y z occ |
|
Bi1 0 0 0 .79 |
|
Cd1 0 0 0 .21 |
|
O1 .5 .25 0 .23 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cl6 Cs3 |
| |
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D |
| |
Journal of Solid State Chemistry 65 (1986) 13-26 |
|
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal |
|
structures of A2 B M X6, A3 M X6 and A2 M X6 |
|
_cod_database_code 1004082 |
|
_database_code_amcsd 0013584 |
|
27.017 8.252 13.121 90 99.70 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .25 .25 .5 .029 .026 .023 -.003 .007 .002 |
|
Bi2 0 .7835 .25 .025 .026 .020 0 .007 0 |
|
Cs1 .0496 .7444 .9317 .057 .082 .053 .015 .019 .024 |
|
Cs2 .1614 .8133 .2982 .036 .038 .052 -.001 .012 -.003 |
|
Cs3 .3462 .1863 .8546 .039 .033 .041 .003 .005 -.003 |
|
Cl1 .2492 .3890 .6871 .043 .040 .035 -.002 .010 -.004 |
|
Cl2 .3235 .4548 .4639 .072 .054 .040 -.029 .023 -.003 |
|
Cl3 .3269 .0549 .5813 .065 .056 .046 .026 .009 .012 |
|
Cl4 .0572 .5536 .1815 .051 .046 .047 .009 .016 -.006 |
|
Cl5 -.0583 .7739 .0641 .051 .090 .027 .003 .003 -.002 |
|
Cl6 .0576 .0263 .1928 .039 .047 .058 .001 .016 .017 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cl6 Cs K2 |
| |
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D |
| |
Journal of Solid State Chemistry 65 (1986) 13-26 |
|
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal |
|
structures of A2 B M X6, A3 M X6 and A2 M X6 |
|
_cod_database_code 1004083 |
|
_database_code_amcsd 0013585 |
|
25.653 7.799 12.874 90 99.24 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .25 .25 .5 .026 .029 .029 -.002 .006 .005 |
|
Bi2 0 .7786 .25 .026 .022 .022 0 .008 0 |
|
Cs1 .0512 .7363 .9307 .042 .052 .043 .005 .008 .011 |
|
K1 .1622 .8129 .3004 .039 .036 .072 .005 .008 .004 |
|
K2 .3432 .1906 .8756 .045 .035 .063 .011 .018 -.003 |
|
Cl1 .2503 .3906 .6939 .062 .047 .034 -.009 .015 -.007 |
|
Cl2 .3275 .4665 .4708 .052 .063 .075 -.006 .010 .025 |
|
Cl3 .3267 .0274 .5771 .058 .062 .087 .005 .008 .035 |
|
Cl4 .0643 .5405 .1845 .055 .046 .043 .005 .008 -.008 |
|
Cl5 -.0589 .7653 .0600 .042 .061 .031 .001 .002 -.001 |
|
Cl6 .0642 .0310 .1991 .039 .036 .056 -.011 .018 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B H16 Li O10 |
| |
Touboul M, Betourne E, Nowogrocki G |
| |
Journal of Solid State Chemistry 115 (1995) 549-553 |
|
Crystal structure and dehydration process of Li(H2O)4B(OH)4*2(H2O) |
|
_cod_database_code 1004127 |
|
_database_code_amcsd 0013859 |
|
6.5534 6.5534 6.1740 90 90 120 P3 |
|
atom x y z occ |
|
O1 0 0 .25 |
|
O2 0 0 .7060 |
|
O3 2/3 1/3 .4750 |
|
O4 .8915 .5275 .7949 |
|
O5 1/3 2/3 .6068 |
|
O6 .0261 .4320 .1883 |
|
B1 2/3 1/3 .7135 |
|
Li1 1/3 2/3 .2895 |
|
H1 0 0 .576 |
|
H2 .110 .092 .747 .333 |
|
H3 .013 .122 .211 .667 |
|
H4 .568 .197 .440 .333 |
|
H5 .746 .107 .779 |
|
H6 .394 .589 2/3 .667 |
|
H7 .929 .419 .286 |
|
H8 .458 .017 .081 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B3 O5 Tl |
| |
Touboul M, Betourne E, Nowogrocki G |
| |
Journal of Solid State Chemistry 131 (1997) 370-373 |
|
Crystal structure of thallium triborate, Tl B3 O5 |
|
_cod_database_code 1004124 |
|
_database_code_amcsd 0013929 |
|
5.2099 8.248 10.206 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Tl1 .02784 .27599 .12869 |
|
O1 .5536 .5512 .0576 |
|
O2 .1831 .7274 .0800 |
|
O3 .3559 .9939 .1077 |
|
O4 .5652 .7709 .2137 |
|
O5 .2940 .5367 .2456 |
|
B1 .539 .933 .191 |
|
B2 .196 .883 .041 |
|
B3 .397 .652 .147 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nb27.2 O72 Tl8 |
| |
Dupont L, Hervieu M, Pelloquin D, Nowogrocki G, Touboul M |
| |
Journal of Solid State Chemistry 135 (1998) 282-292 |
|
Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using |
|
TEM and single-crystal x-ray diffraction |
|
_cod_database_code 1004150 |
|
_database_code_amcsd 0013947 |
|
7.534 12.992 15.555 90 90 90 Im2m |
|
atom x y z occ |
|
Nb1 0 .5 .1221 |
|
Nb2 0 .4920 .3720 |
|
Nb3 .2538 .2408 .1288 |
|
Nb4 .2395 .7375 .1219 |
|
Nb5 0 .654 .5 .475 |
|
Nb6 0 .3285 0 .625 |
|
Nb7 0 .3254 .5 .5 |
|
O1 0 .768 .104 |
|
O2 0 .448 .246 |
|
O3 .187 .596 .141 |
|
O4 0 .503 0 |
|
O5 0 .771 .395 |
|
O6 .5 .010 0 |
|
O7 .202 .205 0 |
|
O8 0 .205 .148 |
|
O9 0 .204 .354 |
|
O10 .180 .381 .106 |
|
O11 .180 .381 .607 |
|
O12 .184 .595 .640 |
|
O13 .297 .705 0 |
|
O14 .215 .764 .252 |
|
Tl1 .074 -.007 .010 .06 |
|
Tl2 .029 -.040 .010 .08 |
|
Tl3 .028 .0302 .009 .11 |
|
Tl4 .067 -.013 .514 .06 |
|
Tl5 .024 -.0412 .508 .14 |
|
Tl6 .037 .026 .515 .05 |
|
Tl7 .034 -.036 .227 .05 |
|
Tl8 .020 -.018 .266 .09 |
|
Tl9 -.037 .0110 .2516 .36 |
|
|
| Download AMC data (View Text File)
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|
| |
|
TlB5O8 |
| |
Touboul M, Nowogrocki G |
| |
Journal of Solid State Chemistry 136 (1998) 216-220 |
|
Dehydration process of TlB5O6(OH)4*2(H2O) and crystal structure of TlB5O8 |
|
_cod_database_code 1004151 |
|
_database_code_amcsd 0013949 |
|
7.557 11.925 14.734 90 90 90 Pbca |
|
atom x y z |
|
Tl1 .06591 .20798 .12226 |
|
O1 .4203 .2944 .0736 |
|
O2 .6768 .1792 .0640 |
|
O3 .9036 .4904 .0921 |
|
O4 .4874 .4637 .1508 |
|
O5 .4453 .1350 .1724 |
|
O6 .6313 .2937 .1966 |
|
O7 .3002 .4689 .0235 |
|
O8 .1119 .4433 .2031 |
|
B1 .5797 .3995 .2129 |
|
B2 .5472 .2261 .1265 |
|
B3 .6917 .0704 .0445 |
|
B4 .4033 .4060 .0813 |
|
B5 .4775 .0259 .1565 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi O8 P Pb4 |
| |
Giraud S, Wignacourt J, Drache M, Nowogrocki G, Steinfink H |
| |
Journal of Solid State Chemistry 142 (1999) 80-88 |
|
The stereochemical effect of 6s2 lone-pair electrons: the crystal |
|
structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4 |
|
_cod_database_code 1004143 |
|
_database_code_amcsd 0013955 |
|
6.215 7.440 10.498 100.19 103.73 90.05 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .2386 .0351 .70334 .0204 .0176 .0162 -.0015 .0056 .0015 |
|
Pb2 .2321 .5641 .70344 .0203 .0199 .0164 .0046 .0047 .0045 |
|
Pb3 .73302 -.3815 .96585 .0142 .0133 .0229 .0007 .0082 .0027 |
|
Pb4 .7347 .1154 .9644 .0147 .0176 .0324 .0046 .0109 .0107 |
|
Bi1 .3070 .2268 .4099 .0163 .0168 .0163 .0018 .0037 .0037 |
|
P1 .768 .2945 .6821 .019 .013 .022 -.001 .006 .004 |
|
O1 .650 .396 .078 |
|
O2 .645 -.106 .085 |
|
O3 .034 -.185 .743 |
|
O4 .001 .306 .777 |
|
O5 .484 .188 .254 |
|
O6 .263 .563 .400 |
|
O7 .735 .111 .590 |
|
O8 .588 .308 .768 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26.4 Mo9.6 O68.4 |
| |
Vannier R, Abraham F, Nowogrocki G, Mairesse G |
| |
Journal of Solid State Chemistry 142 (1999) 294-304 |
|
New structural and electrical data on Bi-Mo mixed oxides with a |
|
structure based on (B12 O14)(infinite) columns |
|
_cod_database_code 1004134 |
|
_database_code_amcsd 0013958 |
|
11.7525 5.8005 24.8024 90 102.867 90 P2/c |
|
atom x y z occ |
|
Bi1 .0409 .416 .3261 |
|
Bi2 .1584 .920 .2456 |
|
Bi3 .2483 .008 .4013 |
|
Bi4 .3607 .502 .3241 |
|
Bi5 .2698 .501 .1597 |
|
Bi6 .0761 .004 .0908 |
|
Bi7 .522 .536 .009 .5 |
|
Mo1 .4162 -.007 .0782 .96 |
|
Bi8 .4162 -.007 .0782 .04 |
|
Mo2 .8329 .512 .0105 .96 |
|
Bi9 .8329 .512 .0105 .04 |
|
Mo3 .5 .006 .25 .96 |
|
Bi10 .5 .006 .25 .04 |
|
O1 0 .713 .25 |
|
O2 .1438 .258 .1584 |
|
O3 .1264 .755 .1539 |
|
O4 .237 .766 .3368 |
|
O5 .2529 .591 .2424 |
|
O6 .0610 .068 .3670 |
|
O7 0 .222 .25 |
|
O8 .235 .265 .3362 |
|
O9 .514 -.254 .0851 |
|
O10 .384 .106 .0100 |
|
O11 .304 -.009 .1080 |
|
O12 .531 .216 .0967 |
|
O13 .932 .293 .0284 |
|
O14 .799 .561 -.0583 |
|
O15 .885 .757 .0463 |
|
O16 .708 .423 .0377 |
|
O17 .375 .172 .2423 |
|
O18 .478 -.167 .1905 |
|
O19 .485 .39 .182 .1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B4 Cs2 H10 O12 |
| |
Touboul M, Penin N, Nowogrocki G |
| |
Journal of Solid State Chemistry 143 (1999) 260-265 |
|
Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O |
|
_cod_database_code 1004144 |
|
_database_code_amcsd 0013970 |
|
8.424 11.378 13.160 90 92.06 90 P2_1/c |
|
atom x y z |
|
Cs1 .26745 .05555 .48032 |
|
Cs2 .45359 .58447 .35863 |
|
B1 -.1292 .8796 .0777 |
|
B2 .1022 .6555 .1972 |
|
B3 .1048 .8683 .1985 |
|
B4 -.1384 .7691 .2360 |
|
O1 -.2058 .9237 -.0085 |
|
O2 .0273 .9044 .0975 |
|
O3 -.2182 .8138 .1407 |
|
O4 .1835 .5509 .1929 |
|
O5 .1882 .7556 .1858 |
|
O6 -.2617 .7490 .3085 |
|
O7 -.0565 .6560 .2148 |
|
O8 -.0205 .8545 .2720 |
|
O9 .2214 .9553 .2282 |
|
O10 .5211 .3946 .1540 |
|
O11 .4659 .7874 .0714 |
|
O12 .9360 .3256 .0293 |
|
H1 .178 .019 .237 |
|
H2 -.150 .950 -.040 |
|
H3 -.219 .701 .354 |
|
H4 .134 .513 .201 |
|
H5 .601 .375 .192 |
|
H6 .442 .362 .179 |
|
H7 .553 .790 .119 |
|
H8 .388 .773 .110 |
|
H9 .847 .287 .032 |
|
H10 .933 .317 .092 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi Na3 O8 P2 |
| |
Mairesse G, Drache M, Nowogrocki G, Abraham F |
| |
Phase Transition 27 (1990) 91-105 |
|
Order-disorder transition in Na3Bi(PO4)2 |
|
_cod_database_code 1004091 |
|
_database_code_amcsd 0014941 |
|
19.86 5.353 13.96 90 110.64 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .61841 .20700 .04345 .0078 .0095 .0072 -.0008 .0024 -.0008 |
|
Bi2 .12003 .19194 .07593 .0070 .0092 .0079 -.0008 .0018 .0002 |
|
P1 .7082 .7775 .7126 .0054 .0061 .0073 .0000 .0011 .0001 |
|
P2 .0400 .7705 .6222 .0046 .0058 .0088 -.0009 .0022 -.0009 |
|
P3 .4617 .2352 .5826 .0066 .0055 .0076 -.0010 .0017 -.0001 |
|
P4 .2086 .7733 .4965 .0044 .0066 .0085 -.0001 .0014 .0006 |
|
Na1 .8010 .2073 .2464 .012 .016 .017 .001 .005 .001 |
|
Na2 .5354 .7546 .1916 .013 .019 .013 -.002 .006 -.001 |
|
Na3 .8631 .7452 .1691 .013 .019 .014 .003 .008 .003 |
|
Na4 .9642 .2455 .1551 .012 .019 .015 -.004 .004 .000 |
|
Na5 .3023 .2531 .0524 .011 .018 .017 .004 .003 -.001 |
|
Na6 .3610 .7488 .1942 .014 .020 .010 -.002 .000 -.004 |
|
O1 .6623 .6744 .7693 .011 .024 .018 -.004 .005 .003 |
|
O2 .6955 .0595 .6909 .013 .008 .016 .001 -.003 .001 |
|
O3 .6944 .6337 .6118 .015 .015 .015 .000 .001 -.005 |
|
O4 .7897 .7340 .7746 .005 .015 .014 .002 .000 -.002 |
|
O5 .0866 .5464 .6843 .014 .006 .013 .002 .002 .002 |
|
O6 .0807 .0118 .6694 .013 .006 .014 .000 -.003 .000 |
|
O7 .0325 .7401 .5104 .018 .012 .014 .000 .004 .001 |
|
O8 -.0315 .7658 .6396 .007 .021 .022 .002 .007 -.001 |
|
O9 .5336 .2339 .6714 .008 .019 .018 .001 -.003 -.003 |
|
O10 .4175 .4649 .5991 .013 .006 .010 .003 .004 .002 |
|
O11 .4191 -.0004 .5894 .015 .007 .020 -.002 .009 -.002 |
|
O12 .4688 .2576 .4781 .017 .012 .018 -.001 .007 .003 |
|
O13 .1987 .6366 .5884 .019 .016 .014 -.004 .005 .005 |
|
O14 .2906 .7521 .5164 .006 .023 .015 .001 .005 -.004 |
|
O15 .1912 .0530 .4973 .015 .007 .022 .002 .006 .003 |
|
O16 .1625 .6558 .3965 .007 .020 .013 -.003 .001 -.007 |
|
|
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|
| |
|
Bi Na3 O8 P2 |
| |
Mairesse G, Drache M, Nowogrocki G, Abraham F |
| |
Phase Transition 27 (1990) 91-105 |
|
Order-disorder transition in Na3Bi(PO4)2 |
|
_cod_database_code 1004092 |
|
_database_code_amcsd 0014942 |
|
18.71 7.18 5.429 90 90. 90 Pnam |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .11815 .03270 .25 .0412 .0272 .0687 .0018 0 0 |
|
P1 .2913 .2866 .25 .022 .030 .040 -.002 0 0 |
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P2 .4621 .7070 .25 .025 .028 .030 -.001 0 0 |
|
Na1 .4609 .1606 .25 .062 .053 .081 -.006 0 0 |
|
Na2 .1365 .5266 .25 .061 .044 .107 .019 0 0 |
|
Na3 .2993 .8049 .25 .044 .084 .078 -.001 0 0 |
|
O1 .4206 .7709 .0230 .061 .056 .033 .014 -.011 .001 |
|
O2 .4673 .4953 .25 .103 .042 .077 -.002 0 0 |
|
O3 .5354 .7921 .25 .041 .074 .106 -.033 0 0 |
|
O4 .2101 .2474 .25 .023 .047 .08 -.004 0 0 |
|
O5 .3112 .3230 -.0245 .5 .067 .080 .066 -.029 .028 .001 |
|
O6 .3036 .4564 .1044 .5 .093 .079 .092 -.008 -.004 .050 |
|
O7 .3338 .130 .1619 .5 .047 .072 .075 .011 .008 -.034 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cl6 H2 In K3 O |
| |
Wignacourt J, Nowogrocki G, Mairesse G, Barbier P |
| |
Reviews in Inorganic Chemistry 2 (1980) 207-217 |
|
Evidence for ionic isomerism in complex salts. X-ray evidence in K3InCl6.H2O |
|
_cod_database_code 1004098 |
|
_database_code_amcsd 0015366 |
|
15.723 15.723 18.069 90 90 90 I4mm |
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atom x y z occ |
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In1 .24357 .24357 .00499 |
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Cl1 .35645 .13208 .00599 |
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Cl2 .15060 .15060 .08966 |
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Cl3 .30706 .30706 .12025 |
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Cl4 .33417 .33417 .92095 |
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Cl5 .18005 .18005 .89051 |
|
In2 0 .5 .257 |
|
Cl6 0 .5 .12268 |
|
Cl7 0 .5 .39196 |
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Cl8 .11404 .61551 .25732 |
|
In3 0 0 .27378 |
|
Cl9 0 0 .40793 |
|
Cl10 0 .15988 .26060 |
|
K1 .21001 .21001 .25590 |
|
K2 0 .29263 .12452 |
|
K3 0 .29532 .39536 |
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K4 .5 .21428 .13151 |
|
K5 .5 .21935 .37735 |
|
K6 .5 .5 .11877 .5 |
|
K7 .5 .5 .37568 .5 |
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Cl11 .5 .37184 .25010 .25 |
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O1 0 0 .1477 |
|
O2 .5 .3378 .0281 .5 |
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O3 .5 .3346 .2505 .5 |
|
O4 .5 .3362 .4719 .5 |
|
|
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|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie X a haute temperature du |
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conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004074 |
|
_database_code_amcsd 0015499 |
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4.005 4.005 28.54 90 90 120 R-3m |
|
atom x y z occ |
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Ba1 0 0 0 .156 |
|
Bi1 0 0 .22241 .422 |
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O1 0 0 .294 .3555 |
|
O2 0 0 .106 .3555 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie x a haute temperature du |
|
conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004075 |
|
_database_code_amcsd 0015500 |
|
4.023 4.023 28.66 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 0 .156 |
|
Bi1 0 0 .22254 .422 |
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O1 0 0 .293 .3555 |
|
O2 0 0 .105 .3555 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie x a haute temperature du |
|
conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004076 |
|
_database_code_amcsd 0015501 |
|
4.025 4.025 28.71 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 0 .156 |
|
Bi1 0 0 .22256 .422 |
|
O1 0 0 .294 .3555 |
|
O2 0 0 .105 .3555 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie x a haute temperature du |
|
conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004077 |
|
_database_code_amcsd 0015502 |
|
4.032 4.032 28.76 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 0 .156 |
|
Bi1 0 0 .22259 .422 |
|
O1 0 0 .293 .3555 |
|
O2 0 0 .101 .3555 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie x a haute temperature du |
|
conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004078 |
|
_database_code_amcsd 0015503 |
|
4.054 4.054 28.88 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 0 .156 |
|
Bi1 0 0 .22318 .422 |
|
O1 0 0 .296 .3555 |
|
O2 0 0 .105 .3555 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba0.156 Bi0.844 O1.422 |
| |
Conflant P, Boivin J, Nowogrocki G, Thomas D |
| |
Solid State Ionics 9 (1983) 925-928 |
|
Etude structurale par diffractometrie x a haute temperature du |
|
conducteur anionique Bi.844 Ba.156 O1.422 |
|
_cod_database_code 1004079 |
|
_database_code_amcsd 0015504 |
|
4.057 4.057 28.90 90 90 120 R-3m |
|
atom x y z occ |
|
Ba1 0 0 0 .156 |
|
Bi1 0 0 .22311 .422 |
|
O1 0 0 .297 .711 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi1.9 O5.3 Pb0.2 V0.9 |
| |
Vannier R, Mairesse G, Nowogrocki G, Abraham F, Boivin J |
| |
Solid State Ionics 53 (1992) 713-722 |
|
Electrical and structural investigations on a new bismuth lead vanadium |
|
oxide solid electrolyte |
|
_cod_database_code 1004097 |
|
_database_code_amcsd 0015510 |
|
3.965 3.965 15.46 90 90 90 I4/mmm |
|
atom x y z occ |
|
Bi1 .037 .037 .1634 .1188 |
|
Pb1 .037 .037 .1634 .0063 |
|
Bi2 0 0 .1763 .475 |
|
Pb2 0 0 .1763 .025 |
|
V1 .061 0 .5109 .1125 |
|
Pb3 .061 0 .5109 .0125 |
|
O1 0 .5 .25 |
|
O2 .165 0 .408 .25 |
|
O3 .414 0 0 .325 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
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