|
Sinjarite |
 |
Leclaire A, Borel M M |
 |
Acta Crystallographica B33 (1977) 1608-1610 |
|
Le dichlorure de calcium dihydrate |
|
Locality: synthetic |
|
_database_code_amcsd 0009590 |
|
5.893 7.469 12.070 90 90 90 Pbcn |
|
atom x y z |
|
Ca 0 .2157 .25 |
|
Cl -.2725 .4509 .1380 |
|
O .2645 .2107 .1082 |
|
H1 .3990 .2909 .0988 |
|
H2 .2498 .1461 .0360 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Br2CaH12O6 |
| |
Leclaire A, Borel M |
 |
Acta Crystallographica B33 (1977) 2938-2940 |
|
Le dichlorure et le dibromure de calcium hexahydrates |
|
_cod_database_code 1001011 |
|
_database_code_amcsd 0009606 |
|
8.164 8.164 4.016 90 90 120 P321 |
|
atom x y z |
|
Ca1 0 0 0 |
|
Br1 1/3 2/3 .4435 |
|
O1 -.2065 0 .5 |
|
O2 .3021 0 0 |
|
H1 -.2192 .1131 .4925 |
|
H2 .4233 .1039 -.0791 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Antarcticite |
 |
Leclaire A, Borel M |
 |
Acta Crystallographica B33 (1977) 2938-2940 |
|
Le dichlorure et le dibromure de calcium hexahydrates |
|
_cod_database_code 1001770 |
|
_database_code_amcsd 0009607 |
|
7.876 7.876 3.954 90 90 120 P321 |
|
atom x y z |
|
Ca1 0 0 0 |
|
Cl1 2/3 1/3 .4251 |
|
O1 -.2125 0 .5 |
|
O2 .3112 0 0 |
|
H1 -.2257 .1173 .5078 |
|
H2 .4368 .1076 .0807 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca Cl H4 N O5 |
| |
Leclaire A, Borel M |
 |
Acta Crystallographica B34 (1978) 902-904 |
|
Identification et structure du chlorure nitrate de calcium dihydrate |
|
_cod_database_code 1001019 |
|
_database_code_amcsd 0009627 |
|
9.052 6.676 19.797 90 90 90 Pbca |
|
atom x y z |
|
Ca1 -.44610 .45016 .15445 |
|
Cl1 -.54426 .77308 .08206 |
|
O1 -.47087 .17955 .24714 |
|
O2 -.29772 -.02586 .27703 |
|
O3 -.27803 .14700 .18346 |
|
N1 -.34741 .09732 .23653 |
|
O4 -.60756 .23829 .09759 |
|
O5 -.30172 .39700 .05623 |
|
H1 -.7001 .2556 .0980 |
|
H2 -.5875 .1203 .0890 |
|
H3 -.2124 .3519 .0543 |
|
H4 -.3497 .3727 .0199 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tachyhydrite |
 |
Leclaire A, Borel M, Monier J |
 |
Acta Crystallographica B36 (1980) 2734-2735 |
|
Structure de la tachydrite |
|
_cod_database_code 1001774 |
|
_database_code_amcsd 0009719 |
|
8.215 8.215 8.215 76.04 76.04 76.04 R-3 |
|
atom x y z |
|
Ca1 0 0 0 |
|
Cl1 .27068 .16138 -.15443 |
|
Mg1 .32405 .32405 .32405 |
|
O1 -.48186 .20142 .45471 |
|
O2 .44369 .18449 .13688 |
|
H1 .504 .155 .541 |
|
H2 -.386 .193 .401 |
|
H3 .388 .172 .0061 |
|
H4 .525 .104 .137 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CaCl2*4H2O |
| |
Leclaire A, Borel M, Monier J |
 |
Acta Crystallographica B36 (1980) 2757-2759 |
|
La Forme gamma du Dichlorure de Calcium Tetrahydrate |
|
_cod_database_code 1001110 |
|
_database_code_amcsd 0009723 |
|
6.1387 7.6669 8.9014 90 111.00 90 P2_1/c |
|
atom x y z |
|
Ca1 0 0 0 |
|
Cl1 .29901 .27899 .07381 |
|
O1 .31106 -.19653 .07661 |
|
O2 .00429 -.00152 .26223 |
|
H1 .413 .218 .170 |
|
H2 .407 -.220 .014 |
|
H3 .096 .057 .334 |
|
H4 -.103 -.037 .302 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd2 Cl6 H24 Ni O12 |
| |
Leclaire A, Borel M |
 |
Acta Crystallographica B36 (1980) 3088-3090 |
|
Structure de l'Hexachlorure de Dicadmium et de Nickel Dodecahydrate |
|
_cod_database_code 1001169 |
|
_database_code_amcsd 0009726 |
|
24.4219 22.3429 7.5416 90 90 90 Fdd2 |
|
atom x y z |
|
Cd1 .24622 .00365 0 |
|
Ni1 .25 .25 .21648 |
|
Cl1 .30506 .05522 .25095 |
|
Cl2 .28987 .06805 -.25000 |
|
Cl3 .16767 .08018 .05064 |
|
O1 .32005 -.06301 -.03829 |
|
O2 .17013 .22183 .23042 |
|
O3 .26691 .18910 .02849 |
|
O4 .26828 .18748 .41027 |
|
O5 .34427 -.15285 .19255 |
|
O6 .31748 .22600 -.27721 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd4 Cl10 H20 Ni O10 |
| |
Leclaire A, Borel M |
 |
Acta Crystallographica B36 (1980) 3090-3093 |
|
Structure du Decachlorure de Tetracadmium et de Nickel Monohydrate |
|
_cod_database_code 1001170 |
|
_database_code_amcsd 0009727 |
|
6.634 12.008 16.080 90 108.68 90 P2_1/c |
|
atom x y z |
|
Cd1 -.19248 .01811 .06826 |
|
Cd2 .39289 .02565 .19262 |
|
Ni1 0 0 .5 |
|
Cl1 -.55012 .12614 .04764 |
|
Cl2 -.26218 -.07994 .19896 |
|
Cl3 -.13625 .11201 -.07188 |
|
Cl4 .06808 .15468 .17118 |
|
Cl5 .35924 -.09234 .31798 |
|
O1 .59556 .17114 .27304 |
|
O2 .16920 .13620 .55796 |
|
O3 -.02112 .06567 .37677 |
|
O4 -.27144 .07914 .49991 |
|
O5 .34758 .17785 .39963 |
|
H1 .585 .240 .248 |
|
H2 .664 .163 .311 |
|
H3 .139 .197 .572 |
|
H4 .305 .129 .604 |
|
H5 -.043 .014 .347 |
|
H6 .073 .105 .380 |
|
H7 -.321 .076 .552 |
|
H8 -.347 .102 .459 |
|
H9 .368 .233 .437 |
|
H10 .359 .219 .363 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Cl6 H24 Ni2 O12 |
| |
Leclaire A, Borel M |
 |
Acta Crystallographica B38 (1982) 234-236 |
|
Structure de l'Hexachlorure de Cadmium et de Dinckel Dodecahydrate |
|
_cod_database_code 1001210 |
|
_database_code_amcsd 0009751 |
|
9.9509 9.9509 11.2393 90 90 120 P3 |
|
atom x y z |
|
Cd1 0 0 0 |
|
Cd2 1/3 -.3333 .53198 |
|
Ni1 0 0 .51143 |
|
Ni2 -.3333 1/3 .12631 |
|
Ni3 -.3333 1/3 .61363 |
|
Ni4 1/3 -.3333 .03245 |
|
Cl1 .57120 -.27585 2/3 |
|
Cl2 .39886 -.51250 .40088 |
|
Cl3 .16356 .23421 .14679 |
|
Cl4 .25604 .11341 -.12183 |
|
O1 -.40516 .44971 .01590 |
|
O2 -.25115 .22163 .23263 |
|
O3 -.46463 .39332 .71865 |
|
O4 -.19862 .28281 .50350 |
|
O5 .38568 -.14255 .13958 |
|
O6 .19071 -.29121 -.07330 |
|
O7 -.14399 .04696 .61376 |
|
O8 .04737 .19012 .40919 |
|
H1 -.322 .535 -.029 |
|
H2 -.439 .524 .033 |
|
H3 -.236 .156 .224 |
|
H4 -.318 .162 .271 |
|
H5 -.543 .319 .751 |
|
H6 -.491 .449 .732 |
|
H7 -.098 .373 .463 |
|
H8 -.187 .192 .526 |
|
H9 .312 -.130 1/6 |
|
H10 .410 -.158 .20 |
|
H11 .239 -.239 -.116 |
|
H12 .090 -.376 -.102 |
|
H13 -.212 -.052 .645 |
|
H14 -.104 .100 .696 |
|
H15 .115 .265 .407 |
|
H16 .033 .189 .355 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb2(PO4)3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
 |
Acta Crystallographica C45 (1989) 699-701 |
|
A mixed-valence niobium phosphate with an empty nasicon structure: Nb2(PO4)3 |
|
_cod_database_code 1001855 |
|
_database_code_amcsd 0010075 |
|
8.6974 8.6974 22.12299 90 90 120 R-3c |
|
atom x y z |
|
Nb1 0 0 .14131 |
|
P1 .2821 0 .25 |
|
O1 .1692 -.0289 .1943 |
|
O2 .2012 .1704 .0916 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2Mo3AlP8O28 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
 |
Acta Crystallographica C46 (1990) 1368-1370 |
|
K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7 |
|
_database_code_amcsd 0010163 |
|
4.8171 7.133 7.998 90.53 92.95 105.18 P-1 |
|
atom x y z occ Biso |
|
Mo1 0 0 0 .97 |
|
Mo .5 .5 .5 .5 .65 |
|
Al .5 .5 .5 .5 .65 |
|
K 0 0 .5 3.3 |
|
P1 -.3795 .2417 .1953 .65 |
|
P2 .0161 -.3816 .2532 .65 |
|
O1 -.190 .102 .186 .8 |
|
O2 .094 -.201 .153 1.2 |
|
O3 .368 .192 .071 .9 |
|
O4 .155 .351 .597 1.0 |
|
O5 .278 .550 .305 .9 |
|
O6 .544 .260 .375 1.0 |
|
O7 -.197 .450 .138 .7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K0.75MoNbP3O12 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
 |
Acta Crystallographica C46 (1990) 1381-1383 |
|
Non-stoichiometry in the KMo2P3O12-tunnel structure: |
|
the oxide K0.75MoNbP3O12 |
|
_database_code_amcsd 0010168 |
|
8.8518 9.1453 12.5174 90 90 90 Pbcm |
|
atom x y z occ Biso |
|
Mo .24695 .02586 .10063 .5 .68 |
|
Nb .24695 .02586 .10063 .5 .68 |
|
K -.17042 .15917 .25 .75 5.15 |
|
P1 -.02884 .25000 0 .69 |
|
P2 .40255 .36752 .13221 .74 |
|
O1 .20537 .01597 .25000 1.21 |
|
O2 .12745 -.15602 .07173 1.62 |
|
O3 .30155 .04000 -.06273 1.45 |
|
O4 .37812 .20556 .12177 1.55 |
|
O5 .43106 -.10142 .12188 1.65 |
|
O6 .06527 .15356 .07317 1.46 |
|
O7 .35151 .41444 .25 1.04 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KMo2P3O13 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
 |
Acta Crystallographica C46 (1990) 2009-2011 |
|
Structure of a molybdenum(V) phosphate Beta-KMo2P3O13 |
|
_database_code_amcsd 0010199 |
|
9.701 18.848 6.389 90 106.96 90 P2_1/c |
|
atom x y z occ Biso |
|
Mo1 .06417 .16238 .38290 .520 |
|
Mo2 .61627 .37300 .18747 .518 |
|
P1 .2970 .59086 .2686 .64 |
|
P2 .3053 .46506 .0082 .58 |
|
P3 -.0343 .32612 .3404 .59 |
|
K1 .0521 .0034 -.0242 .5 4.50 |
|
K2 .3615 .1648 .0416 .5 4.38 |
|
O1 .2141 .2106 .4483 1.21 |
|
O2 .0605 .1522 .0685 .93 |
|
O3 .0528 .1512 .6864 1.04 |
|
O4 .5127 .0632 .4154 .83 |
|
O5 -.0708 .2474 .3228 .95 |
|
O6 -.1395 .1066 .2804 1.12 |
|
O7 .5773 .2874 .1931 1.58 |
|
O8 .6249 .3715 -.1270 .88 |
|
O9 .6171 .4000 .4936 .89 |
|
O10 .8296 .3706 .2885 1.11 |
|
O11 .4079 .4036 .0837 .96 |
|
O12 .6573 .4856 .1502 .87 |
|
O13 .3087 .5073 .2258 .89 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O7 P2 V |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 424-425 |
|
Structure of KVP2O7 |
|
_cod_database_code 1001430 |
|
_database_code_amcsd 0010247 |
|
7.3686 10.0527 8.1874 90 106.580 90 P2_1/c |
|
atom x y z |
|
V1 .23510 .10036 .26134 |
|
P1 .13510 .40356 .33024 |
|
P2 .44366 .36225 .19165 |
|
K1 .82177 .17838 .44649 |
|
O1 .1445 .0908 .0151 |
|
O2 .3213 .1077 .5136 |
|
O3 -.0025 .0050 .2788 |
|
O4 .4554 .2162 .2413 |
|
O5 .3591 -.0792 .2689 |
|
O6 .0831 .2650 .2556 |
|
O7 .3425 .4385 .3158 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb9 O25 P |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 849-850 |
|
Redetermination of the structure of PNb9O25 |
|
_cod_database_code 1001529 |
|
_database_code_amcsd 0010248 |
|
15.639 15.639 3.8317 90 90 90 I4/m |
|
atom x y z occ |
|
Nb1 0 0 .043 .5 |
|
Nb2 .1086 .2178 0 |
|
Nb3 .3291 .1158 0 |
|
P1 .5 0 .25 .5 |
|
O1 .0461 .115 0 |
|
O2 .2204 .1733 0 |
|
O3 .1557 .3553 0 |
|
O4 .2852 .0112 0 |
|
O5 .4491 .0685 0 |
|
O6 .3872 .2469 0 |
|
O7 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O25 P6 Si2 Ti3 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 936-938 |
|
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 |
|
and Cs Ti3 P6 Si2 O25 |
|
_cod_database_code 1001857 |
|
_database_code_amcsd 0010252 |
|
8.2648 8.2648 17.03799 90 90 120 P-31c |
|
atom x y z |
|
K1 1/3 2/3 .25 |
|
Ti1 1/3 2/3 .02516 |
|
Ti2 2/3 1/3 .25 |
|
P1 .38255 .3315 .11022 |
|
Si1 0 0 .09281 |
|
O1 .1190 .5991 .0953 |
|
O2 .8132 .2566 .4576 |
|
O3 .4784 .3386 .1865 |
|
O4 0 0 0 |
|
O5 .0235 .8310 .1264 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs O25 P6 Si2 Ti3 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 936-938 |
|
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 |
|
and Cs Ti3 P6 Si2 O25 |
|
_cod_database_code 1001858 |
|
_database_code_amcsd 0010253 |
|
8.2145 8.2145 17.24899 90 90 120 P-31c |
|
atom x y z |
|
Cs1 1/3 2/3 .25 |
|
Ti1 1/3 2/3 .02293 |
|
Ti2 2/3 1/3 .25 |
|
P1 .38368 .3311 .10965 |
|
Si1 0 0 .09176 |
|
O1 .1147 .5926 .0906 |
|
O2 .8056 .2473 .4552 |
|
O3 .4789 .3420 .1861 |
|
O4 0 0 0 |
|
O5 .0278 .8322 .1259 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo2 O13 P3 Tl |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 1136-1138 |
|
Stucture of beta-TlMo2P3O13 |
|
_cod_database_code 1001463 |
|
_database_code_amcsd 0010255 |
|
9.7536 19.0640 6.3945 90 107.099 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .0643 .16279 .3898 |
|
Mo2 .6174 .37407 .1872 |
|
P1 .2939 .5896 .2658 |
|
P2 .3050 .4652 .0077 |
|
P3 -.0344 .3246 .3445 |
|
Tl1 .0278 .0001 -.0143 .5 |
|
Tl2 .3576 .1590 .0415 .5 |
|
O1 .215 .2098 .456 |
|
O2 .061 .1546 .075 |
|
O3 .051 .1520 .695 |
|
O4 .154 .0641 .428 |
|
O5 -.069 .2467 .328 |
|
O6 -.136 .1071 .284 |
|
O7 .572 .2900 .187 |
|
O8 .626 .3720 .870 |
|
O9 .621 .3997 .493 |
|
O10 .830 .3674 .290 |
|
O11 .411 .4066 .078 |
|
O12 .666 .4840 .150 |
|
O13 .306 .5068 .226 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O5 P V |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 1138-1141 |
|
KVPO5, an intersecting tunnel structure closely related to the |
|
hexagonal tungsten bronze |
|
_cod_database_code 1001464 |
|
_database_code_amcsd 0010256 |
|
12.7640 10.5153 6.3648 90 90 90 Pn2_1a |
|
atom x y z |
|
V1 .12417 .25 -.0038 |
|
V2 .24842 .49719 .2750 |
|
P1 .18046 .2337 .4976 |
|
P2 -.0028 .4879 .1681 |
|
K1 .3806 .4332 .7812 |
|
K2 .3971 .1794 .2057 |
|
O1 .1119 .2051 .3054 |
|
O2 .1104 .2622 .6866 |
|
O3 .0092 .3683 .0278 |
|
O4 .0182 .1021 -.0232 |
|
O5 .2272 .1032 -.0395 |
|
O6 .2202 .3538 .0334 |
|
O7 .3991 .4666 .1950 |
|
O8 .2474 .6177 .0373 |
|
O9 .0931 .5047 .3109 |
|
O10 .2557 .3449 .4521 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba O14 P4 V2 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 2437-2438 |
|
Structure of barium vanadium(III) diphosphate |
|
_cod_database_code 1001510 |
|
_database_code_amcsd 0010267 |
|
10.6213 10.4685 9.7063 90 103.074 90 C2/c |
|
atom x y z |
|
Ba1 .25 .25 .5 |
|
V1 0 .5480 .25 |
|
V2 0 0 0 |
|
P1 .0606 .3105 .0571 |
|
P2 .2810 .4571 .2015 |
|
O1 .0673 .3348 -.0937 |
|
O2 -.0323 .4008 .1073 |
|
O3 .0226 .1742 .0823 |
|
O4 .2005 .3276 .1567 |
|
O5 .3505 .4925 .0874 |
|
O6 .1825 .5593 .2114 |
|
O7 .3705 .4181 .3393 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K4 Nb8 O34 P4 Si |
| |
Leclaire A, Borel M, Chardon J, Grandin A, Raveau B |
 |
Acta Crystallographica C48 (1992) 1744-1747 |
|
A niobium silicophosphate belonging to the niobium phosphate |
|
bronzeseries: K4Nb8P4SiO34 |
|
_cod_database_code 1001541 |
|
_database_code_amcsd 0010275 |
|
10.6050 10.6050 6.4099 90 90 90 P-4m2 |
|
atom x y z |
|
Nb1 .5 .1847 .2035 |
|
Nb2 .17750 .17750 0 |
|
Si1 .5 .5 0 |
|
P1 .2397 .2397 .5 |
|
K1 0 0 .5 |
|
K2 0 .5 .2923 |
|
K3 .5 .5 .5 |
|
O1 .5 0 .261 |
|
O2 .3638 .1747 .0215 |
|
O3 .3790 .2154 .4530 |
|
O4 .5 .3819 .145 |
|
O5 .1756 0 .032 |
|
O6 .1586 .1982 .3115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O10 P2 Pb V2 |
| |
Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C48 (1992) 1913-1915 |
|
Structure of PbV2P2O10 |
|
_cod_database_code 1001534 |
|
_database_code_amcsd 0010277 |
|
5.2306 8.5805 16.790 90 91.01 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) |
|
Pb1 .06382 .19558 .18163 .00717 .00318 .00082 -.0013 .00057 -.00071 |
|
V1 .1397 .8454 .06649 .0028 .0027 .00028 .0009 -.0002 -.0004 |
|
V2 .4587 .0373 .34912 .0044 .0017 .00026 -.0001 .0000 .0000 |
|
P1 .3617 .2756 .0196 .0034 .0022 .00017 -.0008 .0001 -.0002 |
|
P2 .3721 .4171 .3217 .0024 .0013 .00021 .0001 -.0002 -.0001 |
|
O1 .173 .6798 .1102 .005 .0037 .0009 -.005 .0000 .0007 |
|
O2 -.118 .8289 -.0232 .003 .0049 .0003 -.004 -.0002 .0004 |
|
O3 -.144 .9498 .1260 .005 .0036 .0008 .002 .0010 -.0014 |
|
O4 .399 .8235 -.0135 .006 .0039 .0007 .003 .0009 .0002 |
|
O5 .372 .9689 .1392 .005 .0026 .0008 -.002 -.0009 .0002 |
|
O6 .212 -.0518 .3143 .006 .0037 .0013 -.004 -.001 -.0013 |
|
O7 .381 .2442 .2998 .009 .0023 .0003 .001 -.0017 -.0001 |
|
O8 .680 .0117 .2544 .005 .0036 .0003 -.002 -.0008 -.0014 |
|
O9 .640 -.1430 .3978 .009 .0032 .0003 .007 .0016 -.0002 |
|
O10 .339 .1071 .4520 .009 .0030 .0005 -.003 .0004 -.0015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.84 Nb8 O34 P5 Rb3 |
| |
Gueho C, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C48 (1992) 2066-2067 |
|
Structure of Ba0.84Rb3Nb8P5O34 |
|
_cod_database_code 1001535 |
|
_database_code_amcsd 0010278 |
|
10.6604 10.6604 6.4434 90 90 90 P-4m2 |
|
atom x y z occ |
|
Ba1 .5 .5 .5 .84 |
|
Rb1 0 0 .5 |
|
Rb2 0 .5 .2912 |
|
Nb1 .5 .1804 .1991 |
|
Nb2 .17662 .17662 0 |
|
P1 .5 .5 0 |
|
P2 .2423 .2423 .5 |
|
O1 .5 0 .256 |
|
O2 .3658 .1746 .025 |
|
O3 .3811 .2211 .451 |
|
O4 .5 .384 .143 |
|
O5 .178 0 .032 |
|
O6 .1611 .2017 .313 |
|
|
| 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 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C49 (1993) 439-441 |
|
Single-crystal structure of K3 Nb8 O21 |
|
_cod_database_code 1001860 |
|
_database_code_amcsd 0010282 |
|
9.1584 9.1584 12.0404 90 90 120 P6_3/mcm |
|
atom x y z |
|
Nb1 2/3 1/3 0 |
|
Nb2 .24888 .24888 .09468 |
|
K1 .5938 .5938 .25 |
|
O1 .4818 .3143 .0958 |
|
O2 .2006 0 .0740 |
|
O3 .2070 .2070 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.75 K6.5 Nb14 O47 Si4 |
| |
Borel M, Chardon J, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C49 (1993) 570-571 |
|
Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 |
|
_cod_database_code 1001861 |
|
_database_code_amcsd 0010283 |
|
9.046 9.046 27.883 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Nb1 .24520 0 .04437 |
|
Nb2 .23777 0 .18222 |
|
Nb3 1/3 2/3 0 |
|
Si1 1/3 2/3 .19176 |
|
K1 .5924 0 .10739 |
|
K2 .6018 0 .25 .1667 |
|
Ca1 .6018 0 .25 .25 |
|
O1 .2172 0 .1106 |
|
O2 .2752 0 .25 |
|
O3 .1973 0 .5328 |
|
O4 .1744 0 .6862 |
|
O5 1/3 2/3 .25 |
|
O6 .1817 .4856 .1731 |
|
O7 .1684 .4815 .4584 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tl2Mo2P2O11 |
| |
Guesdon A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C49 (1993) 1877-1879 |
|
Structure of Tl2Mo2P2O11 |
|
_cod_database_code 1001592 |
|
_database_code_amcsd 0010287 |
|
9.945 10.156 9.974 90 97.64 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .3448 .0853 .1325 |
|
Mo2 .0775 .3219 .1467 |
|
P1 .3962 .3755 .3154 |
|
P2 .1260 .0758 .3535 |
|
Tl1 0 0 0 |
|
Tl2 .7572 .1776 .2865 |
|
Tl3 .5273 .0798 .5077 .5 |
|
O1 .287 -.057 .061 |
|
O2 .427 .152 -.033 |
|
O3 .269 .054 .317 |
|
O4 .526 .001 .221 |
|
O5 .192 .192 .095 |
|
O6 .443 .258 .238 |
|
O7 -.073 .265 .066 |
|
O8 -.024 .480 .225 |
|
O9 .135 .449 .006 |
|
O10 .072 .216 .320 |
|
O11 .247 .408 .272 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca2 O7 P2 |
| |
Boudin S, Grandin A, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C49 (1993) 2062-2064 |
|
Redetermination of the beta-Ca2P2O7 structure |
|
_cod_database_code 1001556 |
|
_database_code_amcsd 0010288 |
|
6.6858 6.6858 24.147 90 90 90 P4_1 |
|
atom x y z |
|
Ca1 .1374 .2313 0 |
|
Ca2 .1591 .5447 .24262 |
|
Ca3 .7895 .7337 .13802 |
|
Ca4 .3627 .1054 .13548 |
|
P1 .6213 .3078 .02345 |
|
P2 .8673 .2534 .12431 |
|
P3 .0463 .7148 .01863 |
|
P4 .2873 .6462 .12074 |
|
O1 .4607 .1584 .0426 |
|
O2 .7727 .1984 -.0133 |
|
O3 .5303 .4921 -.0001 |
|
O4 .7395 .3776 .0789 |
|
O5 .7364 .0873 .1469 |
|
O6 .0519 .1769 .0953 |
|
O7 .8994 .4088 .1695 |
|
O8 .8537 .7907 .0433 |
|
O9 .1855 .8795 -.0011 |
|
O10 .0229 .5542 -.0249 |
|
O11 .1582 .5873 .0666 |
|
O12 .3450 .4526 .1474 |
|
O13 .4622 .7756 .1015 |
|
O14 .1474 .7722 .1572 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CdV2(P2O7)2 |
| |
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
 |
Acta Crystallographica C50 (1994) 840-842 |
|
CdV2(P2O7)2 |
|
_cod_database_code 1001596 |
|
_database_code_amcsd 0010291 |
|
4.7833 6.9698 7.7644 89.41 87.77 73.16 P-1 |
|
atom x y z |
|
Cd1 0 0 0 |
|
V1 0 0 .5 |
|
V2 .5 .5 0 |
|
P1 .61504 .78903 .28111 |
|
P2 .03341 .38306 .24804 |
|
O1 .3861 .8415 .4226 |
|
O2 .1789 .0779 .7297 |
|
O3 .0792 .2191 .3769 |
|
O4 .3091 .4396 .2072 |
|
O5 .4959 .7742 .1019 |
|
O6 .8945 .3303 .0852 |
|
O7 .8019 .5693 .3332 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo2 O11 P2 Rb2 |
| |
Guesdon A, Leclaire A, Borel M, Grandin A, Raveau B |
 |
Acta Crystallographica C50 (1994) 1852-1854 |
|
An Mo^V^ monophosphate, Rb2Mo2P2O11 |
|
_cod_database_code 1001613 |
|
_database_code_amcsd 0010296 |
|
9.973 10.180 10.012 90 97.70 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .3458 .0854 .1344 |
|
Mo2 .0794 .3223 .1474 |
|
P1 .3968 .3743 .3171 |
|
P2 .1263 .0754 .3541 |
|
Rb1 0 0 0 |
|
Rb2 .7620 .1852 .2901 |
|
Rb3 .5132 .0685 .5069 .5 |
|
O1 .2846 -.058 .064 |
|
O2 .4286 .1493 -.029 |
|
O3 .2681 .053 .317 |
|
O4 .5255 -.004 .221 |
|
O5 .1952 .1957 .0958 |
|
O6 .4436 .255 .2434 |
|
O7 -.070 .262 .068 |
|
O8 -.0261 .478 .2232 |
|
O9 .1340 .4489 .0063 |
|
O10 .068 .216 .3227 |
|
O11 .2470 .4043 .2748 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca O9 P2 V2 |
| |
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
 |
Acta Crystallographica C51 (1995) 796-798 |
|
Ca V2 O (P O4)2, isotypic with the Cd phase |
|
_cod_database_code 1001656 |
|
_database_code_amcsd 0010301 |
|
14.192 6.424 7.317 90 90 90 Pnma |
|
atom x y z |
|
Ca1 .21979 .25 .1149 |
|
V1 .37954 .75 .1489 |
|
V2 0 .5 0 |
|
P1 .18974 .75 .1134 |
|
P2 .43270 .25 .1366 |
|
O1 .3662 .4378 .1278 |
|
O2 .2632 .75 -.0424 |
|
O3 .4929 .75 .0081 |
|
O4 .2514 .75 .2875 |
|
O5 .4442 .75 .3759 |
|
O6 -.0186 .25 .1750 |
|
O7 .1283 .5533 .1084 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li Mo O7 P2 |
| |
Ledain S, Leclaire A, Borel M, Raveau B |
 |
Acta Crystallographica C52 (1996) 1593-1594 |
|
Li Mo P2 O7 |
|
_cod_database_code 1001767 |
|
_database_code_amcsd 0010308 |
|
4.8984 8.3919 7.034 90 109.33 90 P2_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .21270 .5 .22578 .0047 .0034 .0051 -.0003 .0023 -.0005 |
|
P1 .4030 .1806 .0289 .0058 .0047 .0053 -.0005 .0022 -.0013 |
|
P2 .7937 .2851 .4194 .0060 .0060 .0053 -.0001 .0015 .0008 |
|
Li1 .797 .364 .821 |
|
O1 .0539 .3200 .3608 .008 .011 .020 -.001 .009 .005 |
|
O2 .3985 .6822 .0963 .014 .007 .011 .001 .008 .002 |
|
O3 .1328 .7007 .3807 .011 .010 .005 .002 .002 -.001 |
|
O4 .6172 .4331 .4226 .007 .009 .015 .002 -.001 -.003 |
|
O5 .2403 .3376 .0069 .008 .005 .009 .002 .003 -.002 |
|
O6 .5967 .1593 .2607 .013 .007 .008 -.003 .002 -.003 |
|
O7 .7975 .5375 .0077 .008 .006 .009 .002 .001 .000 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo Na0.3 O7 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 184 (1988) 247-255 |
|
NaxMoP2O7, a mixed valence molybdenum diphosphate with a tunnel structure |
|
_cod_database_code 1001439 |
|
_database_code_amcsd 0010982 |
|
4.8813 7.0110 8.2563 91.400 92.466 106.551 P-1 |
|
atom x y z occ |
|
Mo1 0 0 0 |
|
Mo2 .5 .5 .5 |
|
P1 -.38075 .24019 .19526 |
|
P2 .02281 -.36972 .25600 |
|
O1 -.18760 .10297 .18306 |
|
O2 .10535 -.19509 .14722 |
|
O3 .37337 .18907 .06736 |
|
O4 .12703 .32130 .59689 |
|
O5 .27468 .55597 .29875 |
|
O6 .52932 .24450 .36858 |
|
O7 -.20427 .45792 .14898 |
|
Na1 -.0956 .0080 .4766 .3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K Mo2 O13 P3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 188 (1989) 77-83 |
|
A novel form of molybdenum (V) phosphate: delta K Mo2 P3 O13 |
|
_cod_database_code 1001380 |
|
_database_code_amcsd 0010985 |
|
8.846 8.846 10.01 56.488 55.588 68.868 P-1 |
|
atom x y z occ |
|
Mo1 .00751 .17364 .16264 .5 |
|
Mo2 .34382 .33738 .32635 .5 |
|
P1 .26056 .48946 -.01052 .5 |
|
P2 .08727 -.26151 .35204 .5 |
|
P3 -.1780 -.1480 .2390 .5 |
|
K1 .5 0 0 .5 |
|
K2 .5 .5 .5 .5 |
|
O1 -.0816 .3959 .0006 .5 |
|
O2 .1977 .1501 -.1011 .5 |
|
O3 .2327 .2916 .0600 .5 |
|
O4 .1477 -.0693 .2543 .5 |
|
O5 -.1649 .0411 .1981 .5 |
|
O6 -.1220 .1973 .3516 .5 |
|
O7 .3147 .4996 .1041 .5 |
|
O8 .5842 .4398 .2087 .5 |
|
O9 .2462 .6009 .3503 .5 |
|
O10 .3327 .2453 .5695 .5 |
|
O11 .0741 .3017 .4590 .5 |
|
O12 .4264 .1490 .3023 .5 |
|
O13 .0109 -.2605 .2392 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al Mo O9 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 190 (1990) 135-142 |
|
Mo Al P2 O9 molybdenum(V)aluminophosphate isostructural with |
|
VSiP2O9 |
|
_cod_database_code 1001414 |
|
_database_code_amcsd 0010997 |
|
8.8030 8.8030 8.6970 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z |
|
Al1 .75 .25 0 |
|
Mo1 .25 .25 .17748 |
|
P1 .56514 .435 .25 |
|
O1 .3929 .4141 .2332 |
|
O2 .25 .25 -.0126 |
|
O3 .6472 .3779 .1084 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo2 O15 P4 |
| |
Costentin G, Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 201 (1992) 53-58 |
|
Determination of the crystal structure of Mo(V)2P4O15 |
|
_cod_database_code 1001467 |
|
_database_code_amcsd 0011020 |
|
8.3068 6.5262 10.7181 90 106.7050 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .2022 .2547 .1496 |
|
P1 .1845 .5559 .3988 |
|
P2 .4159 .8868 .3737 |
|
O1 .150 .436 .044 |
|
O2 .451 .299 .177 |
|
O3 .202 .022 .028 |
|
O4 -.027 .172 .155 |
|
O5 .225 .414 .313 |
|
O6 .289 .012 .287 |
|
O7 .331 .715 .432 |
|
O8 .486 .060 .476 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H3 Mo O7 P |
| |
Biot C, Leclaire A, Borel M, Raveau B |
| |
Zeitschrift fur Kristallographie 212 (1997) 792-794 |
|
Revised crystal structure of molybdenum hydroxymonophosphate, |
|
(MoO2).(H2O).(P(O3OH)) |
|
_cod_database_code 1001833 |
|
_database_code_amcsd 0011073 |
|
6.758 6.339 7.054 90 110.13 90 P2_1/m |
|
atom x y z |
|
Mo1 .2778 .25 .1748 |
|
P1 .3424 .75 .3348 |
|
O1 .046 .25 .214 |
|
O2 .197 .25 -.085 |
|
O3 .3250 .5616 .1972 |
|
O4 .463 .25 .484 |
|
O5 .610 .25 .166 |
|
O6 .153 .75 .416 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb0.787 O5 P W0.213 |
| |
Leclaire A, Borel M, Raveau B, Mezaoui D |
| |
Zeitschrift fur Kristallographie 212 (1997) 837-839 |
|
Combination of $-alpha-Nb O P O4 type layers with enantiomorphic |
|
alpha'-type layers: the "racemic structure" of alpha-alpha'- |
|
(Nb0.787 W0.213 O P O4) |
|
_cod_database_code 1001834 |
|
_database_code_amcsd 0011074 |
|
6.3524 6.3524 4.0916 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z occ |
|
Nb1 .25 .25 .28336 .787 |
|
W1 .25 .25 .28336 .213 |
|
P1 .25 .75 0 |
|
O1 .25 .25 .710 |
|
O2 .2154 .5569 .2137 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al3 Cs7 K2 Mo9 O59 P11 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
|   |
Chemistry of Materials 7 (1995) 1873-1878 |
|
Significant structural disorganization in alkaline molybdenum(V) |
|
aluminophosphates |
|
_cod_database_code 1001863 |
|
_database_code_amcsd 0012206 |
|
16.952 16.952 11.833 90 90 120 P6_3/m |
|
atom x y z occ |
|
K1 .14585 .52661 .4524 .333 |
|
Cs1 .14585 .52661 .4524 .667 |
|
Cs2 .02728 .1981 .2632 .5 |
|
Mo1 .27303 .44149 .25 |
|
Mo2 .27964 .23429 .36063 |
|
P1 .4486 .4133 .25 |
|
P2 .3785 .1285 .4822 |
|
P3 2/3 1/3 .7135 .5 |
|
P4 1/3 2/3 .700 .5 |
|
Al1 .4871 .1557 .25 |
|
O1 .1615 .4079 .25 |
|
O2 .3193 .5756 .25 |
|
O3 .2548 .3115 .25 |
|
O4 .2869 .4478 .4209 |
|
O5 .4139 .4826 .25 |
|
O6 .1704 .1495 .3772 |
|
O7 .2720 .3037 .5025 |
|
O8 .3412 .1936 .4767 |
|
O9 .3192 .1776 .25 |
|
O10 .4147 .3543 .3554 |
|
O11 .5533 .4684 .25 |
|
O12 .4299 .1317 .3765 |
|
O13 2/3 1/3 .587 .5 |
|
O14 .3039 .5738 .75 |
|
O15 1/3 2/3 .573 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Mo3 O16 P3 |
| |
Guesdon A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 316 (1993) 477-482 |
|
Structure du monophosphate de molybdene a valence mixte |
|
AgMo^V^2Mo^VI^P3O16 |
|
_cod_database_code 1001544 |
|
_database_code_amcsd 0012311 |
|
6.403 7.600 12.769 80.11 79.59 83.82 P-1 |
|
atom x y z |
|
Mo1 .20270 .21603 .54602 |
|
Mo2 .40997 .75723 .16430 |
|
Mo3 .06350 .21074 .13882 |
|
Ag1 .59455 .3295 .33336 |
|
P1 .5751 .1706 .0994 |
|
P2 .3062 .8576 .4200 |
|
P3 .0680 .4806 .3171 |
|
O1 .1887 .0540 .6519 |
|
O2 .8999 .2226 .5243 |
|
O3 .5148 .2605 .5301 |
|
O4 .3045 .0520 .4349 |
|
O5 .1346 .4276 .6242 |
|
O6 .2245 .4079 .3935 |
|
O7 .0884 .3181 .0125 |
|
O8 -.0106 .3270 .2715 |
|
O9 .7453 .2104 .1617 |
|
O10 .1276 -.0109 .1301 |
|
O11 .3608 .2450 .1585 |
|
O12 .6086 .6056 .1869 |
|
O13 .3773 .7299 .0155 |
|
O14 .1678 .6075 .2189 |
|
O15 .3455 .8557 .2993 |
|
O16 .5768 .9700 .1005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Mo2 O13 P3 |
| |
Hoareau T, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 319 (1994) 47-52 |
|
A new silver molybdenum(V) phosphate: csi-Ag (Mo O)2 (P2 O7) (P O4) |
|
_cod_database_code 1001628 |
|
_database_code_amcsd 0012313 |
|
6.376 22.17299 8.718 90 126.1 90 P2_1/c |
|
atom x y z |
|
Mo1 .26141 .20908 .04469 |
|
Mo2 .54754 .43771 .27710 |
|
Ag1 .95123 .12682 .30355 |
|
P1 .64993 .29621 .42079 |
|
P2 .53014 .58391 .14766 |
|
P3 .02104 .59975 .79449 |
|
O1 .1998 .27720 -.0533 |
|
O2 .5872 .18886 .0641 |
|
O3 -.0553 .21047 .0450 |
|
O4 .0666 .16031 .8019 |
|
O5 .5087 .23858 .3143 |
|
O6 .3172 .12392 .1812 |
|
O7 .7071 .44611 .5109 |
|
O8 .4689 .52362 .1948 |
|
O9 .5606 .34761 .2772 |
|
O10 .1807 .43326 .1980 |
|
O11 .8644 .44208 .2764 |
|
O12 .3589 .42096 -.0346 |
|
O13 .2484 .61616 .0116 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3.73 Nb8.41 O34 P4.47 W0.12 |
| |
Leclaire A, Borel M, Mezaoui D, Rebbah H, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 323 (1996) 679-685 |
|
Introduction of tungsten in the niobium phosphate bronzes: the |
|
monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4) |
|
_cod_database_code 1001732 |
|
_database_code_amcsd 0012319 |
|
10.6265 10.6265 6.4092 90 90 90 P-4m2 |
|
atom x y z occ |
|
Nb1 .5 .18169 .20261 |
|
Nb2 .17708 .17708 0 .969 |
|
W1 .17708 .17708 0 .031 |
|
P1 .5 .5 0 .47 |
|
Nb3 .5 .5 0 .53 |
|
P2 .24044 .24044 .5 |
|
K1 .5 .5 .5 .73 |
|
K2 0 0 .5 |
|
K3 0 .5 .29356 |
|
O1 .5 0 .2612 |
|
O2 .36539 .17337 .02064 |
|
O3 .37842 .21525 .45643 |
|
O4 .5 .37989 .1491 |
|
O5 .17780 0 .033 |
|
O6 .16020 .19799 .31306 |
|
|
| 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 P2 W |
| |
Borel M, Leclaire A, Chardon J, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 324 (1997) 189-195 |
|
New molybdeno- and tungstodiphosphates with the (NH4)2MoO2P2O7 chain-like structure |
|
_cod_database_code 1001766 |
|
_database_code_amcsd 0012320 |
|
13.766 8.002 15.497 90 98.34 90 C2/c |
|
atom x y z |
|
W1 .11472 .14487 .13527 |
|
P1 .1283 .0821 .3443 |
|
P2 -.0367 .5596 .5768 |
|
K1 .3543 .1619 .2613 |
|
K2 .1436 .5817 -.0216 |
|
O1 .1468 .331 .1866 |
|
O2 .2255 .075 .1120 |
|
O3 .0711 .25 .0195 |
|
O4 .1220 .019 .2491 |
|
O5 -.0367 .181 .1449 |
|
O6 .0525 -.088 .0821 |
|
O7 .1257 -.090 .3965 |
|
O8 .2226 .167 .3780 |
|
O9 -.0259 .352 .6296 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo O7 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 323-327 |
|
Structure of molybdenum (IV) diphosphate Mo P2 O7 |
|
_cod_database_code 1001387 |
|
_database_code_amcsd 0012520 |
|
7.944 7.944 7.944 90 90 90 Pa3 |
|
atom x y z |
|
Mo1 0 0 0 |
|
P1 .390 .390 .390 |
|
O1 .5 .5 .5 |
|
O2 .222 .078 -.058 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Mo2 O12 P3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 26 (1989) 45-51 |
|
A novel family of mixed valence molybdenum phosphates with a Nasicon |
|
structure, AMo2P3O12 (A= Ca, Sr, Ba) |
|
_cod_database_code 1001429 |
|
_database_code_amcsd 0012526 |
|
8.399 8.399 23.895 90 90 120 R-3c |
|
atom x y z |
|
Ba1 0 0 0 |
|
Mo1 0 0 .15049 |
|
P1 .2866 0 .25 |
|
O1 .048 .217 .1972 |
|
O2 .193 .171 .0947 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb3 O15 P3 Rb |
| |
Borel M, Benabbas A, Rebbah H, Grandin A, Leclaire A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 27 (1990) 525-535 |
|
A large family of niobium phosphate bronzes and bronzoids with |
|
KNb3P3O15 structure |
|
_cod_database_code 1001461 |
|
_database_code_amcsd 0012531 |
|
13.352 14.760 6.457 90 90 90 Pnnm |
|
atom x y z occ |
|
Nb1 .4372 .3877 0 |
|
Nb2 .6906 .2751 0 |
|
Nb3 .3585 -.0243 0 |
|
Rb1 .0098 .3270 .044 .5 |
|
P1 .2718 .2044 0 |
|
P2 .3736 .3802 .5 |
|
P3 .2073 .5049 0 |
|
O1 .5 .5 0 |
|
O2 .301 .448 0 |
|
O3 .360 .267 0 |
|
O4 .564 .324 0 |
|
O5 .4415 .3872 .307 |
|
O6 .768 .3944 0 |
|
O7 .634 .1511 0 |
|
O8 .829 .2148 0 |
|
O9 .7039 .2792 .313 |
|
O10 .296 .4549 .5 |
|
O11 .311 .1065 0 |
|
O12 .1409 .4819 .190 |
|
O13 .5 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
|
|   |
|
O4 P Ti |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 28 (1991) 1323-1333 |
|
TiPO4, a titanium orthophosphate with a CrVO4 sublattice |
|
_cod_database_code 1001530 |
|
_database_code_amcsd 0012546 |
|
4.7598 6.3493 17.7599 90 97.39 90 P2_1/m |
|
atom x y z |
|
Ti1 .7441 .4990 .12483 |
|
Ti2 .2480 .4944 .37358 |
|
P1 .2757 .75 .21272 |
|
P2 .7240 .25 .2866 |
|
P3 .7742 .75 .46190 |
|
P4 .2255 .25 .0380 |
|
O1 .663 .25 .2006 |
|
O2 .5631 .75 .1849 |
|
O3 .941 .25 .0726 |
|
O4 .817 .75 .0509 |
|
O5 .3861 .4467 .0645 |
|
O6 .1158 .5505 .1853 |
|
O7 .8869 .4473 .3136 |
|
O8 .6138 .5523 .4360 |
|
O9 .056 .75 .4297 |
|
O10 .175 .25 .4518 |
|
O11 .4227 .25 .3203 |
|
O12 .3210 .75 .3037 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al0.8 K5 Nb7.2 O34 P5 |
| |
Leclaire A, Guerioune M, Borel M, Grandin A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 473-483 |
|
Insertion of potassium in the alpha-K4Nb8P5O34 structure: the |
|
niobium phosphates alpha-K5Nb8-xMxP5O34 |
|
_cod_database_code 1001507 |
|
_database_code_amcsd 0012555 |
|
13.747 6.446 20.588 90 124.94 90 P2/c |
|
atom x y z occ |
|
Nb1 .1999 -.0253 .0676 .378 |
|
Al1 .1999 -.0253 .0676 .042 |
|
Nb2 .1513 -.0167 .0541 .522 |
|
Al2 .1513 -.0167 .0541 .058 |
|
Nb3 .24595 0 .26820 .9 |
|
Al3 .24595 0 .26820 .1 |
|
Nb4 .5459 .7821 .35557 .9 |
|
Al4 .5459 .7821 .35557 .1 |
|
Nb5 .7521 .7755 .56867 .9 |
|
Al5 .7521 .7755 .56867 .1 |
|
P1 0 .1551 .25 |
|
P2 .2195 .4955 .0519 |
|
P3 .3068 .4999 .3196 |
|
K1 .5 .2818 .25 |
|
K2 .4279 .7403 .5221 |
|
K3 .0046 .659 .1357 .62 |
|
K4 .041 .523 .1297 .38 |
|
O1 0 0 0 |
|
O2 .1939 -.017 .1638 |
|
O3 .3494 -.017 .1229 |
|
O4 .1748 -.051 -.0330 |
|
O5 .1712 .285 .0569 |
|
O6 .1484 .668 .0601 |
|
O7 .4098 -.032 .3195 |
|
O8 .2774 .036 .3796 |
|
O9 .0730 .018 .2324 |
|
O10 .2492 .313 .2642 |
|
O11 .2274 .689 .2750 |
|
O12 .6032 .783 .4713 |
|
O13 .4315 .532 .3413 |
|
O14 .6471 .513 .3828 |
|
O15 .5 .734 .25 |
|
O16 .6839 .537 .6038 |
|
O17 .8007 .513 .5300 |
|
O18 .9166 .707 .6761 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Na3 Nb8 O35 P5 |
| |
Gueho C, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 1253-1261 |
|
A new series of phosphates with the Na6Nb8P5O35 structure |
|
_cod_database_code 1001536 |
|
_database_code_amcsd 0012560 |
|
8.961 8.961 30.204 90 90 120 R32 |
|
atom x y z |
|
Nb1 .2345 -.00623 .06338 |
|
Nb2 0 0 .23497 |
|
P1 1/3 2/3 .07347 |
|
P2 .4442 0 .5 |
|
K1 .5881 0 0 |
|
Na1 .7863 0 .5 |
|
O1 .2373 0 0 |
|
O2 .2524 -.0318 .1313 |
|
O3 .4914 .1470 .0667 |
|
O4 .2763 -.2106 .0538 |
|
O5 .1842 .1707 .0684 |
|
O6 .1992 .1447 .1887 |
|
O7 1/3 2/3 .1226 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd O10 P2 V2 |
| |
Leclaire A, Grandin A, Chardon J, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 393-400 |
|
A new vanadium(IV) monophosphate Cd(VO)2(PO4)2 |
|
_cod_database_code 1001519 |
|
_database_code_amcsd 0012570 |
|
5.187 7.959 17.187 90 92.74 90 P2_1/c |
|
atom x y z |
|
Cd1 .10544 .21886 .18185 |
|
V1 .15619 .87532 .06829 |
|
V2 .45198 .03234 .35163 |
|
P1 .3604 .2676 .01572 |
|
P2 .3340 .43697 .31472 |
|
O1 .1933 .6957 .1096 |
|
O2 .8641 .8627 -.0126 |
|
O3 -.0954 .9900 .1410 |
|
O4 .3828 .8229 -.0155 |
|
O5 .4144 .9896 .1422 |
|
O6 .2258 -.0920 .3180 |
|
O7 .3199 .2444 .2995 |
|
O8 .6956 .0197 .2652 |
|
O9 .6691 .8566 .4044 |
|
O10 .3248 .1065 .4500 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd O10 P2 V2 |
| |
Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 461-469 |
|
A novel form of Cd(VO)2(PO4)2 isotypic with Ca(VO)2(PO4)2 |
|
_cod_database_code 1001520 |
|
_database_code_amcsd 0012575 |
|
11.571 15.880 7.138 90 90 90 Fdd2 |
|
atom x y z |
|
Cd1 0 0 0 |
|
V1 .10985 .11812 .6034 |
|
P1 .2508 .04192 .2444 |
|
O1 .2513 .1701 .7425 |
|
O2 .1052 .2331 .4720 |
|
O3 .2360 .0981 .4171 |
|
O4 .1406 .0144 .7676 |
|
O5 .0133 .1493 .8271 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs8.35 H2 Mo13 O63 P10 |
| |
Hoareau T, Leclaire A, Borel M, Grandin A, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 727-737 |
|
A zeolitic mixed valence molybdenum monophosphate with a tunnel |
|
structure: Cs8+x (Mo O4) Mo12 O18 (P O4)10 .(H2 O) |
|
_cod_database_code 1001630 |
|
_database_code_amcsd 0012591 |
|
16.67799 16.67799 12.717 90 90 120 P6_3/m |
|
atom x y z occ |
|
Cs1 .13674 .52219 .0517 |
|
Cs2 0 0 .5 .797 |
|
Cs3 .0419 .1829 .25 .214 |
|
Cs4 .0468 .1862 .348 .152 |
|
Mo1 .29419 .23782 .3548 |
|
Mo2 .4273 .1231 .25 |
|
Mo3 .2691 .4384 .25 |
|
Mo4 2/3 1/3 .2945 .5 |
|
P1 .3827 .1308 .4987 |
|
P2 .4574 .4241 .25 |
|
P3 1/3 2/3 .218 .5 |
|
O1 .1907 .1439 .364 |
|
O2 .353 .194 .25 |
|
O3 .260 .309 .25 |
|
O4 .2654 .3006 .478 |
|
O5 .3511 .1987 .475 |
|
O6 .4273 .3628 .348 |
|
O7 .327 .023 .25 |
|
O8 .4410 .1280 .408 |
|
O9 .515 .076 .25 |
|
O10 .553 .259 .25 |
|
O11 .155 .392 .25 |
|
O12 .2837 .4501 .408 |
|
O13 .305 .570 .25 |
|
O14 .413 .487 .25 |
|
O15 2/3 1/3 .421 .5 |
|
O16 1/3 2/3 .401 .5 |
|
O17 0 0 .268 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs1.5 K0.425 Mo2 O11 P2 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396 |
|
Highly ordered distribution of the interpolated univalent cations in |
|
monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure |
|
_cod_database_code 1001726 |
|
_database_code_amcsd 0012601 |
|
10.159 10.103 10.003 90 99.48 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .3395 .0772 .1254 |
|
Mo2 .0868 .3228 .1394 |
|
P1 .4026 .3620 .3213 |
|
P2 .1209 .0668 .3414 |
|
K1 0 0 0 .85 |
|
Cs1 .7522 .1974 .2625 |
|
Cs2 .5043 .0262 .5007 .5 |
|
O1 .276 -.056 .046 |
|
O2 .430 .161 -.025 |
|
O3 .253 .031 .296 |
|
O4 .513 -.024 .213 |
|
O5 .194 .192 .089 |
|
O6 .444 .234 .253 |
|
O7 -.057 .267 .051 |
|
O8 -.010 .476 .226 |
|
O9 .139 .453 0 |
|
O10 .074 .211 .311 |
|
O11 .256 .400 .266 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs K Mo2 O11 P2 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396 |
|
Highly ordered distribution of the interpolated univalent cations in |
|
monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure |
|
_cod_database_code 1001727 |
|
_database_code_amcsd 0012602 |
|
10.121 10.154 9.820 90 100.59 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .34300 .07295 .13259 |
|
Mo2 .08681 .31723 .13985 |
|
P1 .4047 .3587 .3256 |
|
P2 .1244 .0604 .3484 |
|
K1 0 0 0 |
|
Cs1 .75072 .19316 .25759 |
|
K2 .5001 .0301 .4977 .5 |
|
O1 .2763 -.0612 .0448 |
|
O2 .4408 .1476 -.0145 |
|
O3 .2624 .0261 .3114 |
|
O4 .5137 -.0292 .2263 |
|
O5 .1998 .1895 .0872 |
|
O6 .4433 .2263 .2669 |
|
O7 -.0604 .2620 .0466 |
|
O8 -.0169 .4642 .2271 |
|
O9 .1400 .4540 .0066 |
|
O10 .0762 .2014 .3079 |
|
O11 .2576 .3917 .2779 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs0.74 K1.26 Mo2 O11 P2 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396 |
|
Highly ordered distribution of the interpolated univalent cations in |
|
monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure |
|
_cod_database_code 1001728 |
|
_database_code_amcsd 0012603 |
|
10.080 10.146 9.830 90 100.25 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .3437 .0748 .1329 |
|
Mo2 .0847 .3174 .1405 |
|
P1 .4028 .3615 .3235 |
|
P2 .1259 .0620 .3497 |
|
K1 .7508 .1930 .2596 .26 |
|
Cs1 .7508 .1930 .2596 .74 |
|
K2 0 0 0 |
|
K3 .5006 .0395 .4993 .5 |
|
O1 .2789 -.063 .050 |
|
O2 .4396 .1491 -.017 |
|
O3 .2640 .0300 .313 |
|
O4 .5179 -.0223 .2259 |
|
O5 .1984 .190 .0897 |
|
O6 .4436 .2305 .2624 |
|
O7 -.0622 .262 .049 |
|
O8 -.0194 .4658 .226 |
|
O9 .1359 .4552 .007 |
|
O10 .0732 .2024 .3095 |
|
O11 .254 .3946 .277 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K0.88 Mo2 O11 P2 Rb1.12 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396 |
|
Highly ordered distribution of the interpolated univalent cations in |
|
monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure |
|
_cod_database_code 1001729 |
|
_database_code_amcsd 0012604 |
|
9.961 10.134 9.884 90 99.16 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .34525 .08083 .13282 |
|
Mo2 .07868 .31845 .14284 |
|
P1 .3987 .3702 .3182 |
|
P2 .1265 .0682 .3517 |
|
K1 0 0 0 |
|
Rb1 .7559 .1883 .2728 |
|
K2 .5037 .0529 .5027 .38 |
|
Rb2 .5037 .0529 .5027 .12 |
|
O1 .2826 -.0612 .0589 |
|
O2 .4353 .1502 -.0237 |
|
O3 .2696 .0460 .3167 |
|
O4 .5253 -.0072 .2248 |
|
O5 .1948 .1896 .0911 |
|
O6 .4454 .2477 .2462 |
|
O7 -.0710 .2603 .0577 |
|
O8 -.0271 .4681 .2259 |
|
O9 .1347 .4526 .0065 |
|
O10 .0693 .2076 .3159 |
|
O11 .2477 .3990 .2770 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Mo0.5 O4 W0.5 |
| |
Daturi M, Borel M, Leclaire A, Savary L, Costentin G, Lavalley J, Raveau B |
|   |
Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043-2053 |
|
Crystallographic and catalytic studies of a new solid solution CdMoxW1-xO4 |
|
_cod_database_code 1001750 |
|
_database_code_amcsd 0012757 |
|
5.1625 5.1625 11.1616 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ |
|
W1 0 .25 .125 .5 |
|
Mo1 0 .25 .125 .5 |
|
Cd1 0 .25 .625 |
|
O1 .243 .092 .0381 |
|
|
| 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 W |
| |
Daturi M, Borel M, Leclaire A, Savary L, Costentin G, Lavalley J, Raveau B |
|   |
Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043-2053 |
|
Crystallographic and catalytic studies of a new solid solution CdMoxW1-xO4 |
|
_cod_database_code 1001751 |
|
_database_code_amcsd 0012758 |
|
5.0289 5.8596 5.0715 90 91.519 90 P2/c |
|
atom x y z |
|
W1 0 .17847 .25 |
|
Cd1 .5 .3027 .75 |
|
O1 .242 .372 .384 |
|
O2 .202 .096 -.049 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hg O14 P4 V2 |
| |
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
|   |
Journal of Materials Chemistry 4 (1994) 1889-1892 |
|
Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases |
|
_cod_database_code 1001669 |
|
_database_code_amcsd 0013073 |
|
4.848 6.892 8.077 92.65 93.26 106.23 P-1 |
|
atom x y z |
|
Hg1 0 0 .5 |
|
V1 0 0 0 |
|
V2 .5 .5 .5 |
|
P1 .3817 .75873 .80628 |
|
P2 .9714 .35984 .74191 |
|
O1 .1755 -.1107 -.1913 |
|
O2 -.1218 .1812 -.1584 |
|
O3 -.3752 -.1916 -.0624 |
|
O4 .1322 .3041 .5893 |
|
O5 .7310 .4425 .6837 |
|
O6 .4739 .7447 .6283 |
|
O7 .2071 .5318 .8472 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O14 P4 Pb V2 |
| |
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
|   |
Journal of Materials Chemistry 4 (1994) 1889-1892 |
|
Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases |
|
_cod_database_code 1001670 |
|
_database_code_amcsd 0013074 |
|
4.804 7.113 7.898 89.78 92.62 106.10 P-1 |
|
atom x y z |
|
Pb1 0 0 .5 |
|
V1 0 0 0 |
|
V2 .5 .5 .5 |
|
P1 .3817 .7706 .7978 |
|
P2 .9728 .3842 .7490 |
|
O1 .178 -.0956 -.2047 |
|
O2 -.088 .2023 -.1474 |
|
O3 -.376 -.1764 -.0709 |
|
O4 .125 .3514 .5892 |
|
O5 .703 .4457 .7066 |
|
O6 .474 .7565 .6163 |
|
O7 .197 .5567 .8519 |
|
|
| 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 W |
| |
Daturi M, Busca G, Borel M, Leclaire A, Piaggio P |
|   |
Journal of Physical Chemistry 101 (1997) 4358-4369 |
|
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 |
|
_cod_database_code 1001799 |
|
_database_code_amcsd 0013149 |
|
5.026 5.078 5.867 90 90 91.47 P2/b |
|
atom x y z |
|
W1 0 .25 .1784 |
|
Cd1 .5 .75 .3020 |
|
O1 .189 .454 .901 |
|
O2 .25 .393 .360 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Mo O4 |
| |
Daturi M, Busca G, Borel M, Leclaire A, Piaggio P |
|   |
Journal of Physical Chemistry 101 (1997) 4358-4369 |
|
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 |
|
_cod_database_code 1001800 |
|
_database_code_amcsd 0013150 |
|
5.156 5.156 11.196 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z |
|
Mo1 0 .25 .125 |
|
Cd1 0 .25 .625 |
|
O1 .24 .091 .0421 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Mo0.25 O4 W0.75 |
| |
Daturi M, Busca G, Borel M, Leclaire A, Piaggio P |
|   |
Journal of Physical Chemistry 101 (1997) 4358-4369 |
|
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 |
|
_cod_database_code 1001801 |
|
_database_code_amcsd 0013151 |
|
5.031 5.074 5.858 90 90 91.48 P2/b |
|
atom x y z occ |
|
W1 0 .25 .1760 .75 |
|
Mo1 0 .25 .1760 .25 |
|
Cd1 .5 .75 .2991 |
|
O1 .181 .443 .919 |
|
O2 .240 .416 .381 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Mo0.75 O4 W0.25 |
| |
Daturi M, Busca G, Borel M, Leclaire A, Piaggio P |
|   |
Journal of Physical Chemistry 101 (1997) 4358-4369 |
|
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 |
|
_cod_database_code 1001802 |
|
_database_code_amcsd 0013152 |
|
5.158 5.158 11.187 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ |
|
Mo1 0 .25 .125 .75 |
|
W1 0 .25 .125 .25 |
|
Cd1 0 .25 .625 |
|
O1 .242 .408 .042 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo Na O7 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 76 (1988) 131-135 |
|
A Mo(III) Phosphate with a Cage Structure: Na Mo P2 O7 |
|
_cod_database_code 1001369 |
|
_database_code_amcsd 0013622 |
|
7.4195 8.1084 9.7598 90 111.868 90 P2_1/c |
|
atom x y z |
|
Mo1 .25843 .00547 .24845 |
|
P1 .07446 .25293 .45875 |
|
P2 -.32763 .21689 .45738 |
|
Na1 .28421 .48235 .28787 |
|
O1 .53989 .08981 .35713 |
|
O2 .30868 -.20968 .38279 |
|
O3 .17033 .12870 .39527 |
|
O4 -.02348 -.08760 .13034 |
|
O5 .19160 .22060 .12102 |
|
O6 .37151 -.10667 .09997 |
|
O7 -.12504 .16453 .44471 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na O7 P2 Ti |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 77 (1988) 299-305 |
|
Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7 |
|
closely related to beta-Cristobalite and beta-Na Ti P2 O7 |
|
isotypic with Na Fe P2 O7 |
|
_cod_database_code 1001384 |
|
_database_code_amcsd 0013628 |
|
8.697 5.239 13.293 90 116.54 90 P2_1/c |
|
atom x y z |
|
Ti1 .26328 .2371 .02956 |
|
P1 .1667 .7550 .14509 |
|
P2 .6839 .2771 .11568 |
|
Na1 .4473 .2704 .3103 |
|
O1 .0180 .257 -.0581 |
|
O2 .5218 .2267 .1304 |
|
O3 .2531 .0114 .1533 |
|
O4 .2947 -.0954 -.0364 |
|
O5 .3067 .4436 -.0878 |
|
O6 .2729 .5395 .1335 |
|
O7 .1610 .7180 .2634 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na O7 P2 Ti |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 77 (1988) 299-305 |
|
Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7 |
|
closely related to beta-Cristobalite and beta-Na Ti P2 O7 |
|
isotypic with Na Fe P2 O7 |
|
_cod_database_code 1001385 |
|
_database_code_amcsd 0013629 |
|
7.394 7.936 9.726 90 111.85 90 P2_1/c |
|
atom x y z |
|
Ti1 .26076 .00861 .24891 |
|
P1 .0719 .2547 .4556 |
|
P2 -.3269 .2127 .4547 |
|
Na1 .2841 .4788 .2918 |
|
O1 .5355 .0863 .3529 |
|
O2 .3063 -.2014 .3849 |
|
O3 .1755 .1357 .3917 |
|
O4 -.0130 -.0838 .1343 |
|
O5 .1854 .2159 .1192 |
|
O6 .3685 -.1084 .1024 |
|
O7 -.1249 .1566 .4405 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K Mo O7 P2 |
| |
Leclaire a, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 220-226 |
|
Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): |
|
K Mo P2 O7 and K.17 Mo P2 O7 |
|
_cod_database_code 1001405 |
|
_database_code_amcsd 0013634 |
|
7.3758 10.348 8.351 90 106.88 90 P2_1/c |
|
atom x y z |
|
Mo1 .23374 .60021 .76012 |
|
K1 .1774 .3234 .0570 |
|
P1 .4447 .63969 .1942 |
|
P2 .1329 .90101 .8261 |
|
O1 .3442 .5701 .3192 |
|
O2 .0758 .7314 .2471 |
|
O3 .6420 .5838 .2362 |
|
O4 .1345 .5946 .5046 |
|
O5 .3214 .6076 .0217 |
|
O6 .0087 .4967 .2177 |
|
O7 .4594 .7824 .2386 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K0.25 Mo O7 P2 |
| |
Leclaire a, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 220-226 |
|
Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): |
|
K Mo P2 O7 and K.17 Mo P2 O7 |
|
_cod_database_code 1001406 |
|
_database_code_amcsd 0013635 |
|
21.278 21.278 4.9209 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ |
|
Mo1 .14319 .13582 .44610 |
|
K1 0 .25 -.29271 .5 |
|
P1 .24790 .14298 -.06027 |
|
P2 .14599 .29314 .32871 |
|
O1 .07789 .10227 .18103 |
|
O2 .20690 .16774 .71963 |
|
O3 .15571 .04520 .59595 |
|
O4 .13098 .22445 .29148 |
|
O5 .21145 .11480 .17383 |
|
O6 .28481 .20258 .04863 |
|
O7 .07359 .14914 .71896 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K1.75 O12 P3 Ti2 |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 227-231 |
|
K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence |
|
Nonstoichiometric Titanophosphate with Langbeinite Structure |
|
_cod_database_code 1001395 |
|
_database_code_amcsd 0013636 |
|
9.8559 9.8559 9.8559 90 90 90 P2_13 |
|
atom x y z occ |
|
Ti1 .58721 .58721 .58721 |
|
Ti2 .85809 .85809 .85809 |
|
K1 .29175 .29175 .29175 |
|
K2 .06618 .06618 .06618 .75 |
|
P1 .27407 -.37213 .45889 |
|
O1 .00066 .07490 .35238 |
|
O2 .26636 -.42225 .31360 |
|
O3 .47087 .05361 .29809 |
|
O4 .20400 -.23500 .47771 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2 O12 P3 Ti2 |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 227-231 |
|
K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence |
|
Nonstoichiometric Titanophosphate with Langbeinite Structure |
|
_cod_database_code 1001396 |
|
_database_code_amcsd 0013637 |
|
9.8688 9.8688 9.8688 90 90 90 P2_13 |
|
atom x y z |
|
Ti1 .66257 .66257 .66257 |
|
Ti2 .39258 .39258 .39258 |
|
K1 .95591 .95591 .95591 |
|
K2 .18437 .18437 .18437 |
|
P1 .47556 .70937 .37811 |
|
O1 .60215 .82705 .75011 |
|
O2 .45286 .3046 .21980 |
|
O3 .48428 .56425 .32696 |
|
O4 .54510 .72680 .51655 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K Nb3 O15 P3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 80 (1989) 12-16 |
|
A Niobium Phosphate Bronze with a Tunnel Structure: K Nb3 P3 O15 |
|
_cod_database_code 1001407 |
|
_database_code_amcsd 0013651 |
|
13.3085 14.7382 6.4615 90 90 90 Pnnm |
|
atom x y z occ |
|
Nb1 .43757 .38721 0 |
|
Nb2 .69285 .27711 0 |
|
Nb3 .35872 -.02661 0 |
|
K1 .0086 .3233 .089 .5 |
|
P1 .27237 .20218 0 |
|
P2 .37506 .37936 .5 |
|
P3 .20613 .50253 0 |
|
O1 .5 .5 0 |
|
O2 .2999 .4445 0 |
|
O3 .3624 .2660 0 |
|
O4 .5659 .3256 0 |
|
O5 .4418 .3866 .3084 |
|
O6 .7709 .3966 0 |
|
O7 .6348 .1539 0 |
|
O8 .8316 .2169 0 |
|
O9 .7046 .2799 .3106 |
|
O10 .2958 .4533 .5 |
|
O11 .3129 .1058 0 |
|
O12 .1404 .4788 .1878 |
|
O13 .5 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
|
|   |
|
Mo2 O23 P4 Si4 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 80 (1989) 250-255 |
|
Mo2 P4 Si4 O23, a Molybdenum (V) Silicophosphate Related to the |
|
beta-Cristobalite |
|
_cod_database_code 1001394 |
|
_database_code_amcsd 0013656 |
|
8.415 5.215 11.190 77.77 77.77 73.11 P-1 |
|
atom x y z |
|
Mo1 .2544 .2910 .14829 |
|
P1 .3147 -.1585 -.0528 |
|
P2 .1891 .7510 .3317 |
|
Si1 .3130 .5584 .5722 |
|
Si2 -.1870 -.0574 .2863 |
|
O1 .2551 -.0001 .3031 |
|
O2 .3037 .548 -.0059 |
|
O3 .2627 .002 .0528 |
|
O4 .2892 .532 .2587 |
|
O5 .0462 .408 .1699 |
|
O6 .5194 .143 .1318 |
|
O7 .1737 -.028 -.1379 |
|
O8 .1837 .638 .4728 |
|
O9 .0020 -.174 .3165 |
|
O10 -.2808 -.294 .3368 |
|
O11 -.2800 .198 .3539 |
|
O12 .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K7 Nb14.13 O60 P8.87 |
| |
Leclaire A, Benabbas A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 83 (1989) 245-254 |
|
A Niobium Phosphate Bronze Closely Related to the ITB Tumgsten Bronzes: |
|
K7 Nb14+x P9-x O6$0 (x= 0.13) |
|
_cod_database_code 1001417 |
|
_database_code_amcsd 0013667 |
|
36.883 10.603 6.4526 90 90 90 Pmma |
|
atom x y z occ |
|
Nb1 .44489 .1762 .2429 |
|
Nb2 .34235 .1775 .2539 |
|
Nb3 .44584 .5 .0173 |
|
Nb4 .25 .1830 .4548 |
|
Nb5 .34155 .5 .0438 |
|
P1 .67583 .2380 .2473 |
|
P2 .53909 .2367 .2548 |
|
P3 .25 .5 .276 .864 |
|
Nb6 .25 .5 .276 .136 |
|
K1 .6071 0 .256 |
|
K2 .25 0 -.042 |
|
K3 .5 .5 .5 |
|
K4 .3885 .5 .5326 |
|
K5 .75 .5 .226 |
|
O1 .3953 .1603 .235 |
|
O2 .4415 .3667 .205 |
|
O3 .5525 .1619 .069 |
|
O4 .4983 .2265 .272 |
|
O5 .5580 .1817 .446 |
|
O6 .4563 0 .255 |
|
O7 .3403 0 .291 |
|
O8 .6612 .1618 .060 |
|
O9 .6510 .2041 .434 |
|
O10 .3468 .3640 .224 |
|
O11 .2896 .1840 .275 |
|
O12 .5514 .3761 .237 |
|
O13 .5 .5 0 |
|
O14 .3905 .5 -.036 |
|
O15 .2843 .5 .124 |
|
O16 .6730 .377 .200 |
|
O17 .7148 .1996 .290 |
|
O18 .25 .379 .425 |
|
O19 .25 0 .486 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mg3 O24 P6 Ti4 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 84 (1990) 299-307 |
|
A new phosphate of trivalent titanium Mg3Ti4P6O24 |
|
_cod_database_code 1001440 |
|
_database_code_amcsd 0013672 |
|
6.3911 7.9616 9.4299 67.614 69.348 79.327 P-1 |
|
atom x y z occ |
|
Ti1 .97299 .22092 .47552 |
|
Ti2 .77344 .03995 .12286 .667 |
|
Mg1 .77344 .03995 .12286 .333 |
|
Ti3 .5 .5 0 .667 |
|
Mg2 .5 .5 0 .333 |
|
Mg3 .49665 .68976 .28653 |
|
P1 .04248 .64357 .22790 |
|
P2 .52306 .27522 .36916 |
|
P3 .25010 .08515 .16701 |
|
O1 .85261 .31374 .66518 |
|
O2 -.0020 .44417 .29391 |
|
O3 -.3728 .28525 .49140 |
|
O4 .2844 .2240 .46119 |
|
O5 .0974 .04202 .34575 |
|
O6 .46264 .95653 .16568 |
|
O7 .81889 .75637 .22662 |
|
O8 .7856 .31067 .94403 |
|
O9 .6636 .13884 .29106 |
|
O10 .88489 .96158 .91927 |
|
O11 .5303 .46389 .23290 |
|
O12 .3179 .27954 .08618 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb6 O26 P4 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 84 (1990) 365-374 |
|
A novel niobium phosphate bronze with a tunnel structure, |
|
K3Nb6P4O26, member n=infinity of the series |
|
(K3Nb6P4O26)n . KNb2PO8 |
|
_cod_database_code 1001441 |
|
_database_code_amcsd 0013673 |
|
14.7484 31.582 9.3859 90 90 90 Pnma |
|
atom x y z |
|
Nb1 .0996 .69040 .3636 |
|
Nb2 .0896 .56795 .3625 |
|
Nb3 .0996 .44548 .3684 |
|
Nb4 .2049 .69011 .0066 |
|
Nb5 .2904 .69061 .6324 |
|
Nb6 .5079 .44003 .5014 |
|
K1 .3676 .75 .248 |
|
K2 .4636 .25 .25 |
|
K3 .0963 .6240 .7248 |
|
K4 .3348 .5032 .2525 |
|
P1 .4868 .6714 .4470 |
|
P2 .0853 .3320 .4201 |
|
P3 .2190 .4200 .0779 |
|
P4 .2076 .5792 .0567 |
|
O1 .069 .75 .354 |
|
O2 -.003 .6789 .213 |
|
O3 .0057 .6869 .528 |
|
O4 .1924 .6973 .497 |
|
O5 .183 .6946 .209 |
|
O6 .098 .6253 .385 |
|
O7 .010 .5641 .208 |
|
O8 -.001 .5520 .499 |
|
O9 .1901 .5647 .526 |
|
O10 .1956 .5697 .217 |
|
O11 .114 .5020 .351 |
|
O12 .0241 .4355 .203 |
|
O13 .200 .4423 .517 |
|
O14 .2107 .4354 .229 |
|
O15 .088 .3798 .417 |
|
O16 .213 .75 -.008 |
|
O17 .0692 .6925 -.029 |
|
O18 .3388 .6873 .023 |
|
O19 .218 .6821 -.206 |
|
O20 .209 .6259 .022 |
|
O21 .299 .75 .647 |
|
O22 .397 .6854 .766 |
|
O23 .3998 .6947 .488 |
|
O24 .285 .6272 .575 |
|
O25 .5 .5 .5 |
|
O26 .371 .4409 .476 |
|
O27 .6473 .4396 .520 |
|
O28 .514 .3755 .509 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K4 Nb8 O34 P5 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 87 (1990) 360-365 |
|
The niobium phosphate bronze K5-xNb8P5O34, a new tunnel |
|
structure, first member of the series (K3Nb6P4O26)n . |
|
KNb2PO8 |
|
_cod_database_code 1001449 |
|
_database_code_amcsd 0013681 |
|
13.904 6.453 20.64 90 125.05 90 P2/c |
|
atom x y z occ |
|
Nb1 .16613 .98280 .05406 |
|
Nb2 .24102 .99468 .26477 |
|
Nb3 .53830 .77407 .35353 |
|
Nb4 .74862 .77185 .56941 |
|
P1 0 .1529 .25 |
|
P2 .22103 .4980 .05104 |
|
P3 .30488 .4971 .31915 |
|
K1 .5 .2743 .25 |
|
K2 .4396 .7474 .5162 .5 |
|
K3 .0092 .6430 .1360 .45 |
|
K4 .0444 .504 .1279 .32 |
|
K5 .0571 .6856 .3357 .23 |
|
O1 0 0 0 |
|
O2 .1895 -.0175 .1619 |
|
O3 .3447 -.0349 .1235 |
|
O4 .1734 -.0525 -.0330 |
|
O5 .1732 .2900 .0573 |
|
O6 .1544 .6721 .0618 |
|
O7 .4083 -.0397 .3165 |
|
O8 .2768 .0353 .3778 |
|
O9 .0728 .0114 .2331 |
|
O10 .2509 .3056 .2636 |
|
O11 .2255 .6871 .2733 |
|
O12 .6055 .7849 .4697 |
|
O13 .4290 .5329 .3404 |
|
O14 .6475 .5147 .3830 |
|
O15 .5 .7214 .25 |
|
O16 .6910 .5382 .6059 |
|
O17 .8020 .5173 .5308 |
|
O18 .9181 .7127 .6770 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo2 Na O13 P3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 89 (1990) 10-15 |
|
epsilon-NaMo2P3O13, a new structural form of the Mo(V) |
|
phosphates series AMo2VP3O13 |
|
_cod_database_code 1001445 |
|
_database_code_amcsd 0013684 |
|
6.352 7.448 10.991 75.08 85.33 79.10 P-1 |
|
atom x y z |
|
Mo1 .21573 .21226 .08508 |
|
Mo2 .24357 .19432 .59317 |
|
P1 .74282 .19750 .66237 |
|
P2 .11903 .47629 .30773 |
|
P3 .73572 .07237 .10861 |
|
Na1 .6551 .4024 .2543 |
|
O1 .2362 .3698 -.0520 |
|
O2 .5241 .2008 .1314 |
|
O3 .2706 -.0145 .0139 |
|
O4 .2421 -.0047 .2545 |
|
O5 -.0956 .1978 .1008 |
|
O6 .1279 .3923 .1969 |
|
O7 .3176 -.0254 .5786 |
|
O8 -.0722 .2142 .5643 |
|
O9 .2194 .1049 .7831 |
|
O10 .5274 .2743 .6003 |
|
O11 .2603 .3473 .4128 |
|
O12 .1088 .4585 .6498 |
|
O13 .2375 .6553 .2558 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo2 Na O13 P3 |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 89 (1990) 31-38 |
|
zeta-NaMo2P3O13, a second form of pentavalent molybdenum sodium |
|
phosphate |
|
_cod_database_code 1001446 |
|
_database_code_amcsd 0013685 |
|
6.3682 22.2546 8.6172 90 126.139 90 P2_1/c |
|
atom x y z |
|
Mo1 .2559 .20833 .04173 |
|
Mo2 .5520 .43650 .2793 |
|
P1 .6439 .2964 .4170 |
|
P2 .5319 .5827 .1516 |
|
P3 .0208 .5995 .7976 |
|
Na1 .9661 .1306 .3016 |
|
O1 .189 .2764 -.057 |
|
O2 .578 .1876 .0600 |
|
O3 -.060 .2076 .046 |
|
O4 .059 .1608 .7953 |
|
O5 .510 .2376 .314 |
|
O6 .309 .1243 .180 |
|
O7 .716 .4408 .519 |
|
O8 .482 .5225 .209 |
|
O9 .553 .3475 .2691 |
|
O10 .186 .4327 .200 |
|
O11 .868 .4418 .2770 |
|
O12 .366 .4229 -.0332 |
|
O13 .247 .6130 .0188 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na4 Nb8 O35 P6 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 89 (1990) 75-82 |
|
A niobium phosphate bronze closely related to the tungsten phosphate |
|
bronzes family: Na4Nb8P6O35 |
|
_cod_database_code 1001447 |
|
_database_code_amcsd 0013686 |
|
8.4992 15.3390 10.5913 90 90 90 Pbam |
|
atom x y z occ |
|
Nb1 .09915 .10776 .18127 |
|
Nb2 .0776 .42436 .5 |
|
Nb3 -.0016 .4877 .1735 .5 |
|
P1 .1972 .0928 .5 |
|
P2 .2122 .3218 .2336 |
|
Na1 .4102 .2916 .5 |
|
Na2 .441 .2103 0 |
|
O1 .075 .1178 0 |
|
O2 .1074 .1223 .3809 |
|
O3 .200 .2237 .184 .5 |
|
O4 .133 .2460 .177 .5 |
|
O5 .391 .3158 .209 .5 |
|
O6 .372 .3510 .207 .5 |
|
O7 .285 .0484 .176 .5 |
|
O8 .316 .0890 .179 .5 |
|
O9 .036 -.0073 .1976 .5 |
|
O10 0 .5 .3571 |
|
O11 .364 .1384 .5 |
|
O12 .1761 .3292 .3744 |
|
O13 .221 -.0066 .5 |
|
O14 0 .5 0 |
|
O15 .087 .3736 .163 .5 |
|
O16 .141 .4025 .162 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Mo2 O16 P4 |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 89 (1990) 83-87 |
|
A molybdenum V diphosphate, BaMo2P4O16 |
|
_cod_database_code 1001448 |
|
_database_code_amcsd 0013687 |
|
6.4394 12.378 9.1613 90 123.92 90 P2_1/c |
|
atom x y z |
|
Ba1 0 0 .5 |
|
Mo1 .45795 .18924 .16072 |
|
P1 .8753 .3066 .5674 |
|
P2 .6571 .4437 .2509 |
|
O1 .3140 .1557 -.0495 |
|
O2 .8063 .1706 .1980 |
|
O3 .4659 .3520 .1501 |
|
O4 .1551 .2127 .1684 |
|
O5 .5054 .0380 .2584 |
|
O6 .7234 .2161 .4423 |
|
O7 .8196 .4130 .4542 |
|
O8 .8224 .4695 .1927 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.504 Cs2 Nb6 O24 P3 |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 90 (1991) 279-284 |
|
A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24 |
|
_cod_database_code 1001859 |
|
_database_code_amcsd 0013695 |
|
13.3799 13.3799 10.3713 90 90 120 R32 |
|
atom x y z occ |
|
Cs1 .3587 .3353 .2211 .333 |
|
Nb1 .52097 .16219 .01378 |
|
P1 .22882 0 0 |
|
O1 .1486 .9776 .1159 |
|
O2 .1800 0 .5 |
|
O3 .3459 .1075 .0254 |
|
O4 .4746 0 0 |
|
O5 .6770 .2174 .0300 |
|
Ca1 0 0 0 .504 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K6 O16 P4 V2 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 91 (1991) 264-270 |
|
A new vanadium III potassium phosphate with a cage structure: |
|
K6V2P4O16 |
|
_cod_database_code 1001477 |
|
_database_code_amcsd 0013708 |
|
9.578 11.097 18.127 90 121.67 90 P2_1/c |
|
atom x y z |
|
V1 .5541 .1308 .1316 |
|
V2 .0394 .6560 .6140 |
|
K1 .2896 .1185 .4940 |
|
K2 .7416 .1006 .0015 |
|
K3 .4336 .0766 .3178 |
|
K4 .4466 .3612 .2596 |
|
K5 .0409 .0973 .2468 |
|
K6 .9808 .3812 .0800 |
|
P1 .2107 .8617 .6464 |
|
P2 .3272 .3613 .4080 |
|
P3 .1770 .1234 .1000 |
|
P4 .7215 .3362 .1644 |
|
O1 .446 .1538 .0069 |
|
O2 .5437 .3142 .1467 |
|
O3 .3462 .0730 .1217 |
|
O4 .6549 .1071 .2594 |
|
O5 .7658 .2092 .1477 |
|
O6 .603 -.0419 .1238 |
|
O7 .1668 .6244 .7417 |
|
O8 .0399 .8452 .6342 |
|
O9 -.088 .6940 .4877 |
|
O10 .0699 .4851 .5927 |
|
O11 .8409 .5976 .6104 |
|
O12 .2437 .7337 .6223 |
|
O13 .216 .9594 .5879 |
|
O14 .3178 .2440 .3655 |
|
O15 .1968 .2086 .1704 |
|
O16 .722 .4353 .1051 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2 Na1.73 Nb8 O34 P5 |
| |
Benabbas A, Borel M, Grandin A, Chardon J, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 91 (1991) 323-330 |
|
The niobium phosphate bronze beta-K2Na2-xNb8P5O34, second |
|
form of the first member of the series (K3Nb6P4O26)nKNb2PO8 |
|
_cod_database_code 1001478 |
|
_database_code_amcsd 0013709 |
|
10.612 10.612 6.384 90 90 90 P-4m2 |
|
atom x y z occ |
|
Nb1 .5 .18295 .20093 |
|
Nb2 .17682 .17682 0 |
|
P1 .5 .5 0 |
|
P2 .24040 .24040 .5 |
|
O1 .5 0 .256 |
|
O2 .3649 .1753 .0200 |
|
O3 .3793 .2155 .4548 |
|
O4 .5 .3841 .151 |
|
O5 .1776 0 .0340 |
|
O6 .1592 .1978 .3114 |
|
Na1 .5 .5 .5 .73 |
|
K1 0 0 .5 |
|
K2 0 .5 .2965 .5 |
|
Na2 0 .5 .2965 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na6 Nb8 O35 P5 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 92 (1991) 51-56 |
|
A niobium phosphate "bronze" closely related to the |
|
Ba4/3Nb6Si4/4O26 structure: Na6Nb8P5O35 |
|
_cod_database_code 1001481 |
|
_database_code_amcsd 0013712 |
|
8.9185 8.9185 30.055 90 90 120 R32 |
|
atom x y z |
|
Nb1 .2341 -.0090 .06328 |
|
Nb2 0 0 .23608 |
|
P1 1/3 2/3 .0711 |
|
P2 .4413 0 .5 |
|
Na1 .7862 0 .5 |
|
Na2 .583 0 0 |
|
O1 .229 0 0 |
|
O2 .2526 -.0364 .1314 |
|
O3 .4933 .140 .0658 |
|
O4 .261 .7782 .0514 |
|
O5 .187 .171 .0696 |
|
O6 .1996 .1422 .1897 |
|
O7 1/3 2/3 .1212 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O31 P6 Rb6 V6 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 94 (1991) 274-280 |
|
A mixed valence vanadium phosphate with a tunnel structure: |
|
Rb6V6P6O31 |
|
_cod_database_code 1001498 |
|
_database_code_amcsd 0013720 |
|
7.0656 13.4988 14.4198 90 90 90 Pnma |
|
atom x y z occ |
|
Rb1 .0962 .00833 .16277 |
|
Rb2 .1080 .25 .99396 |
|
V1 .1492 .1246 .4231 |
|
V2 .2598 .75 .2401 |
|
P1 .0421 .8999 .3809 |
|
P2 .3523 .25 .2603 .5 |
|
P3 .2637 .25 .2402 .5 |
|
O1 .3235 .0684 .4716 |
|
O2 .205 .25 .4560 |
|
O3 .0275 .0124 .3586 |
|
O4 -.0551 .1170 .5138 |
|
O5 .2645 .1569 .2972 |
|
O6 .045 .75 .2000 |
|
O7 .3646 .6477 .1590 |
|
O8 .2219 .6432 .3364 |
|
O9 .390 .25 .1582 |
|
O10 .058 .25 .190 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mo3 Na O16 P3 |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 95 (1991) 168-175 |
|
A molybdenophosphate with a mixed valence of molybdenum, |
|
Mo(VI)-Mo(V): NaMo3P3O16 |
|
_cod_database_code 1001730 |
|
_database_code_amcsd 0013721 |
|
6.4023 7.6097 12.7395 80.031 79.039 83.517 P-1 |
|
atom x y z |
|
Mo1 .20382 .21539 .54109 |
|
Mo2 .40953 .75135 .16255 |
|
Mo3 .05866 .20623 .14284 |
|
P1 .5726 .1656 .1026 |
|
P2 .3077 .8543 .4210 |
|
P3 .0645 .4818 .3166 |
|
Na1 .5981 .3333 .3316 |
|
O1 .1922 .0498 .6451 |
|
O2 -.1002 .2238 .5216 |
|
O3 .5179 .2567 .5220 |
|
O4 .3039 .0525 .4278 |
|
O5 .1366 .4249 .6224 |
|
O6 .2269 .4094 .3892 |
|
O7 .0872 .3130 .0163 |
|
O8 -.0206 .3298 .2735 |
|
O9 -.2587 .2028 .1665 |
|
O10 .1266 -.0145 .1344 |
|
O11 .3575 .2384 .1630 |
|
O12 .6057 .5952 .1821 |
|
O13 .3770 .7329 .0120 |
|
O14 .1603 .6064 .2160 |
|
O15 .3542 .8408 .3012 |
|
O16 .5772 .9652 .1015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na2.667 Nb6 O26 P4 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 95 (1991) 245-252 |
|
Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 |
|
member of the MPTBp family |
|
_cod_database_code 1001698 |
|
_database_code_amcsd 0013722 |
|
19.80499 14.3859 5.3960 90 90 90 P2_12_12 |
|
atom x y z |
|
Nb1 0 0 .2640 |
|
Nb2 .33090 .97971 .2372 |
|
Nb3 .11669 .10021 .7647 |
|
Nb4 .43601 .09682 .7459 |
|
Nb5 .77765 .11139 .7414 |
|
P1 .2158 .1654 .264 |
|
P2 .5369 .1787 .253 |
|
P3 .8842 .1708 .2332 |
|
Na1 .0587 .2161 .242 |
|
Na2 .3779 .2060 .246 |
|
O1 .0642 .0530 .023 |
|
O2 -.0453 .1262 .271 |
|
O3 .0598 .0459 .517 |
|
O4 .2595 .0781 .273 |
|
O5 .3915 .0540 .474 |
|
O6 .2765 -.0931 .026 |
|
O7 .4030 .8874 .214 |
|
O8 .3714 .0546 -.022 |
|
O9 .2940 -.0832 .536 |
|
O10 .0626 .2218 .765 |
|
O11 .1737 .1721 .493 |
|
O12 .1686 .1680 .036 |
|
O13 .1849 .0094 .757 |
|
O14 .3910 .2242 .712 |
|
O15 .5 0 .780 |
|
O16 .4855 .1653 .054 |
|
O17 .5085 .1655 .514 |
|
O18 .7627 .2516 .725 |
|
O19 .8577 .1543 -.024 |
|
O20 .8400 .1315 .441 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H2 Na5 O15 P3 V2 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Leblanc M, Raveau B |
|   |
Journal of Solid State Chemistry 96 (1992) 390-396 |
|
Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer |
|
structure and a pure pyramidal coordination of V(IV) |
|
_cod_database_code 1000472 |
|
_database_code_amcsd 0013726 |
|
6.3089 20.10379 5.1172 90 91.134 90 Cm |
|
atom x y z |
|
V1 .5 .15103 .5 |
|
P1 -.0030 .1856 .5153 |
|
P2 .6507 0 .558 |
|
Na1 .832 .0858 .028 |
|
Na2 .2546 .2401 -.004 |
|
Na3 .179 0 .614 |
|
O1 .244 0 .115 |
|
O2 -.015 .1887 .224 |
|
O3 .501 .1542 .210 |
|
O4 .196 .1476 .622 |
|
O5 .502 .2441 .644 |
|
O6 .803 .1492 .634 |
|
O7 .503 .0599 .632 |
|
O8 .847 0 .734 |
|
O9 .699 0 .273 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KV3P4O17 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|   |
Journal of Solid State Chemistry 97 (1992) 131-140 |
|
A new mixed-valence vanadium phosphate with an intersecting tunnel |
|
structure: KV3P4O17 |
|
_cod_database_code 1001593 |
|
_database_code_amcsd 0013732 |
|
7.8654 10.0104 16.2715 90 90 90 P2_12_12_1 |
|
atom x y z |
|
V1 .7880 .3222 .1529 |
|
V2 .2910 .2473 .4940 |
|
V3 .2846 .3185 .1521 |
|
P1 .1912 .6357 .1860 |
|
P2 .1997 .5614 .4655 |
|
P3 .1902 .1368 .3143 |
|
P4 .192 .0607 .0367 |
|
K1 .504 .4553 .3214 |
|
O1 .998 .332 .1631 |
|
O2 .729 .248 .2660 |
|
O3 .486 .312 .1442 |
|
O4 .760 .137 .111 |
|
O5 .717 .503 .198 |
|
O6 .777 .382 .042 |
|
O7 .313 .327 .5958 |
|
O8 .258 .084 .552 |
|
O9 .483 .229 .464 |
|
O10 .254 .414 .447 |
|
O11 .177 .173 .406 |
|
O12 .274 .502 .200 |
|
O13 .223 .390 .040 |
|
O14 .266 .247 .265 |
|
O15 .228 .135 .115 |
|
O16 .002 .621 .2156 |
|
O17 .003 .560 .481 |
|
|
| 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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K7.333 O48.667 P12 V10 |
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Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 97 (1992) 314-318 |
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Langbeinite, a host lattice for "V3O" clusters: the trivalent |
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vanadium phosphate K11V15P18O73 |
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_cod_database_code 1001555 |
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_database_code_amcsd 0013733 |
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9.896 9.896 9.896 90 90 90 P2_13 |
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atom x y z occ |
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P1 .4804 .7101 .3753 |
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V1 .66315 .66315 .66315 |
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V2 .39579 .39579 .39579 |
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V3 .4674 .1742 .5895 .1667 |
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K1 .1812 .1812 .1812 |
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K2 .9562 .9562 .9562 .8333 |
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O1 .5993 .8337 .7494 |
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O2 .4552 .3018 .2300 |
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O3 .4905 .5632 .3288 |
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O4 .5599 .7336 .5061 |
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O5 -.016 -.016 -.016 .1667 |
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Ba O10 P2 V2 |
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Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 99 (1992) 297-302 |
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BaV2P2O10, a new tetravalent vanadium phosphate with a tunnel |
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structure |
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_cod_database_code 1001542 |
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_database_code_amcsd 0013739 |
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5.2204 9.1702 16.3247 90 92.757 90 P2_1/c |
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atom x y z |
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Ba1 .00266 .20027 .18004 |
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V1 .11936 .81937 .06397 |
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V2 .45604 .04678 .34292 |
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P1 .3913 .29316 .02522 |
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P2 .3826 .40559 .32798 |
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O1 .1600 .6711 .1149 |
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O2 .8462 .8087 -.0244 |
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O3 .8591 .9291 .1232 |
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O4 .3531 .7907 -.0267 |
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O5 .3701 .9440 .1233 |
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O6 .1927 -.0234 .3055 |
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O7 .3921 .2488 .2952 |
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O8 .6551 .0132 .2440 |
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O9 .6229 .8728 .3918 |
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O10 .3646 .1072 .4514 |
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Na3.04 Nb7 O29 P4 |
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Benabbas A, Leligny H, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 101 (1992) 137-144 |
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Na4-xNb7P4O29: A Phosphate Niobium Bronze Intergrowth of the |
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Members M=3 snd M=4 of the MPTB's Series Nax(NbO3)2m(PO2)4 |
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_cod_database_code 1001538 |
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_database_code_amcsd 0013753 |
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32.850 5.3484 13.252 90 97.79 90 C2/c |
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atom x y z occ |
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Nb1 0 0 0 |
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Nb2 .3183 .5011 .02287 |
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Nb3 .22724 .4785 .32190 |
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Nb4 .04595 .4973 .17911 |
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P1 .14822 .487 .1205 |
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P2 .42169 .503 .1525 |
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Na1 .1318 .507 .3634 |
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Na2 -.0976 .009 -.0995 .52 |
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O1 -.0468 -.025 .0780 |
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O2 .0270 -.286 .0731 |
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O3 .0299 .207 .1076 |
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O4 .3791 .459 .0956 |
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O5 .3066 .730 .1235 |
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O6 .3024 .227 .0847 |
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O7 .2710 .564 -.0695 |
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O8 .3401 .278 -.0883 |
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O9 .3482 .821 -.0378 |
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O10 .1737 .562 .2216 |
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O11 .2478 .291 .2264 |
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O12 0 .515 .25 |
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O13 .1029 .480 .1375 |
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O14 .0722 .798 .2645 |
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O15 .0755 .264 .3037 |
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Na2 O8 P2 V |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 101 (1992) 154-160 |
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Na2VP2O8: A Tetravalent Vanadium Diphosphate with a Layered Structure |
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_cod_database_code 1001539 |
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_database_code_amcsd 0013754 |
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7.7178 13.3233 6.287 90 99.49 90 P2_1/c |
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atom x y z |
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V1 .22827 .42441 .27003 |
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P1 .35999 .62441 .54265 |
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P2 .17255 .48123 .75090 |
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Na1 .0735 .70519 .1615 |
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Na2 .5190 .36430 .9288 |
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O1 .3635 .5616 .3562 |
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O2 .4659 .3591 .3033 |
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O3 .1118 .3265 .1913 |
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O4 .2299 .40891 .5899 |
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O5 .0227 .5227 .2451 |
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O6 .2803 .4643 -.0263 |
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O7 .2184 .59215 .6856 |
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O8 .2864 .73565 .4742 |
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KV4P7O24 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 104 (1993) 193-201 |
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A vanadium(III) phosphate with V2O10 octahedral units: KV4P7O24 |
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_cod_database_code 1001564 |
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_database_code_amcsd 0013776 |
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10.0846 10.2309 10.8283 112.757 109.226 104.675 P-1 |
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atom x y z |
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V1 .75498 .14970 .25561 |
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V2 .37412 .22301 .88604 |
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V3 .07363 .68772 .07401 |
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V4 .42673 .58143 .41113 |
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P1 .38321 .93742 .11691 |
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P2 .50103 .27387 .24211 |
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P3 .24365 .81280 .43424 |
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P4 .30263 .51073 .05170 |
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P5 .99840 .00662 .22450 |
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P6 .06493 .32096 .26257 |
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P7 .27241 .13098 .52037 |
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K1 .86440 .57356 .32447 |
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O1 .9650 .3223 .3413 |
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O2 .5537 -.0451 .1739 |
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O3 .6906 .1085 .0473 |
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O4 .6707 .3016 .2972 |
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O5 .8275 .1810 .4606 |
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O6 .8330 -.0211 .1979 |
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O7 .2677 .3530 -.0790 |
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O8 .4323 .2682 .0949 |
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O9 .5868 .3615 -.0465 |
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O10 .2770 .1781 .6701 |
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O11 .1106 .7126 .2713 |
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O12 .2904 .8387 .1580 |
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O13 .0022 .6650 .8746 |
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O14 .8620 .4885 -.0102 |
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O15 .0154 .8714 .1277 |
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O16 .2299 .4409 .3745 |
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O17 .4898 .3945 .3726 |
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O18 .3749 .7671 .4623 |
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O19 .6400 .7391 .4934 |
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O20 .3682 .5274 .2067 |
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O21 .4020 .1099 .2180 |
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O22 .3177 .9912 .4671 |
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O23 .0668 .1482 .2040 |
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O24 .0922 .0635 .4002 |
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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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K2Mo2P2O11 |
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Gueho C, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 104 (1993) 202-208 |
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A Mo(V) monophosphate with an intersecting tunnel structure: K2Mo2P2O11 |
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_cod_database_code 1001565 |
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_database_code_amcsd 0013777 |
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9.867 10.122 9.903 90 97.95 90 P2_1/c |
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atom x y z occ |
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Mo1 .34571 .08548 .13802 |
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Mo2 .07300 .31979 .14807 |
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P1 .3938 .3789 .3156 |
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P2 .1276 .0753 .3567 |
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K1 0 0 0 |
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K2 .7635 .1755 .3033 |
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K3 .5092 .0823 .5112 .5 |
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O1 .2822 -.0602 .0766 |
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O2 .4282 .1449 -.0288 |
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O3 .2761 .0607 .3259 |
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O4 .5308 .0043 .2248 |
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O5 .1916 .1912 .0963 |
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O6 .4430 .2596 .2409 |
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O7 -.0758 .2569 .0677 |
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O8 -.0338 .4740 .2275 |
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O9 .1309 .4492 .0107 |
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O10 .0638 .2132 .3232 |
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O11 .2419 .4076 .2763 |
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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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AgV2P2O10 |
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Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 104 (1993) 226-231 |
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A mixed valent vanadium phosphate closely related to BaV2P2O10: AgV2P2O10 |
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_cod_database_code 1001566 |
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_database_code_amcsd 0013778 |
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5.256 8.117 16.966 90 91.46 90 P2_1/c |
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atom x y z |
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Ag1 .07526 .20627 .18857 |
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V1 .14413 .86962 .06988 |
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V2 .46419 .03216 .35275 |
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P1 .3664 .26446 .01677 |
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P2 .3564 .42347 .31759 |
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O1 .1727 .6911 .1095 |
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O2 .8632 .8546 -.0134 |
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O3 .8820 .9710 .1386 |
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O4 .3837 .8271 -.0141 |
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O5 .3988 .9799 .1413 |
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O6 .2285 -.0757 .3237 |
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O7 .3582 .2360 .3028 |
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O8 .6749 .0052 .2649 |
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O9 .6566 .8633 .4057 |
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O10 .3416 .1103 .4478 |
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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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Cd5V3P6O25 |
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Crespoa P, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 105 (1993) 307-312 |
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A new mixed-valent vanadium phosphate with a tunnel structure Cd5V3P6O25 |
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_cod_database_code 1001568 |
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_database_code_amcsd 0013782 |
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16.861 4.710 24.160 90 103.07 90 C2/c |
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atom x y z |
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Cd1 0 0 0 |
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Cd2 .16719 .4781 .20952 |
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Cd3 .44023 -.0237 .11704 |
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V1 0 -.0605 .25 |
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V2 .26883 .4943 .41304 |
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P1 .32368 .5112 .17458 |
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P2 .07178 -.0450 .14065 |
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P3 .15001 .4724 .00305 |
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O1 0 .277 .25 |
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O2 .0627 .803 .1967 |
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O3 .0950 .847 .3118 |
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O4 .1681 .271 .3622 |
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O5 .3653 .705 .4636 |
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O6 .2891 .1618 .4579 |
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O7 .3436 .360 .3644 |
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O8 .2452 .8139 .3538 |
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O9 .1834 .6242 .4512 |
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O10 .3005 .612 .2300 |
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O11 .0644 .2750 .1483 |
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O12 .0032 .859 .0918 |
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O13 .0693 .625 -.0221 |
|
|
| 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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|   |
|
Cs(MoO)P2O7 |
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Guesdon A, Borel M, Leclaire A, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 108 (1994) 46-50 |
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A molybdenum (V) diphosphate closely related to the alpha-NaTiP2O7 structure: |
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Cs(MoO)P2O7 |
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_cod_database_code 1001618 |
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_database_code_amcsd 0013789 |
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5.1340 11.707 12.063 90 91.77 90 P2_1/n |
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atom x y z |
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Mo1 .2365 .04536 .18973 |
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Cs1 .7688 .33667 .05123 |
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P1 .7646 .1668 .3101 |
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P2 .7781 .3972 .4185 |
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O1 .238 -.0362 .3029 |
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O2 .026 .1750 .2542 |
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O3 .551 .1379 .2233 |
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O4 -.097 -.0083 .1164 |
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O5 .440 -.0717 .1000 |
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O6 .247 .1455 .0339 |
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O7 .763 .0989 .4119 |
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O8 .699 .2986 .3341 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H1.8 Mo2 O10.9 P2 Rb |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|   |
Journal of Solid State Chemistry 108 (1994) 177-183 |
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The mixed valent molybdenum monophosphate RbMo2P2O10.(1-x)H2O: |
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an intersecting tunnel structure isotypic with leucophosphite |
|
_cod_database_code 1001614 |
|
_database_code_amcsd 0013791 |
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9.789 9.752 12.347 90 128.81 90 P2_1/c |
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atom x y z occ |
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Mo1 .24602 .1966 .16663 |
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Mo2 -.01442 .0319 .39763 |
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P1 .1526 .3084 .3593 |
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P2 .6313 .0142 .3403 |
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Rb1 .6475 .3215 .1264 .85 |
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Rb2 .662 .182 .038 .1 |
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Rb3 .5 0 0 .1 |
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O1 .114 .066 .1273 |
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O2 .2818 .2524 .3394 |
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O3 .2639 .1608 .0150 |
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O4 .0647 .3501 .0589 |
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O5 .4759 .0986 .3000 |
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O6 .4251 .3709 .2165 |
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O7 .0063 .2066 .3144 |
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O8 -.0693 -.0610 .2254 |
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O9 .2391 -.0087 .4971 |
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O10 -.2676 .0822 .2943 |
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O11 .753 .338 .488 .9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O17 P4 Pb2 V3 |
| |
Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
|   |
Journal of Solid State Chemistry 108 (1994) 291-298 |
|
The monophosphate Pb2V2VO(PO4)4: a tunnel structure with the |
|
mixed valence V(III)-V(IV) |
|
_cod_database_code 1001616 |
|
_database_code_amcsd 0013794 |
|
17.74699 18.05099 9.344 90 117.03 90 C2/c |
|
atom x y z |
|
Pb1 .11296 .12510 .01898 |
|
Pb2 .22976 .47431 .46871 |
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V1 .4472 .2102 .4457 |
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V2 .2469 .3097 .2474 |
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V3 0 .0612 .25 |
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V4 .5 .0559 .25 |
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P1 .1385 .1989 .3627 |
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P2 .3879 .4437 .3419 |
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P3 .3324 .1657 .1492 |
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P4 .0830 .4212 .1295 |
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O1 .5041 .2729 .422 |
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O2 .3285 .2246 .270 |
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O3 .4131 .2441 .601 |
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O4 .4256 .1401 .261 |
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O5 .5147 .1365 .597 |
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O6 .1738 .3924 .240 |
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O7 .2899 .3316 .482 |
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O8 .1727 .2303 .251 |
|
O9 .1804 .2975 .003 |
|
O10 .3384 .3750 .251 |
|
O11 .0364 .0732 .495 |
|
O12 .0809 -.0204 .272 |
|
O13 .0882 .1325 .265 |
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O14 .5776 -.0138 .234 |
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O15 .4185 .0499 .023 |
|
O16 .3290 .4991 .367 |
|
O17 .2708 .1026 .123 |
|
|
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|
|   |
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