|
H6 K O10.5 P2 Zn2 |
| |
Tordjman I, Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B31 (1975) 1143-1148 |
|
Structure cristalline du monophosphate de zinc-potassium: Zn2KH(PO4)2(H2O)2.5 |
|
_cod_database_code 1007025 |
|
_database_code_amcsd 0009533 |
|
9.109 13.543 8.814 102.21 113.35 95.92 P-1 |
|
atom x y z |
|
Zn1 .6079 .5427 .4134 |
|
Zn2 .7377 .7327 .9874 |
|
Zn3 .9664 .0346 .2608 |
|
Zn4 .8528 .3605 .0133 |
|
K1 .9546 .3369 .6463 |
|
K2 .6159 .8827 .6738 |
|
P1 .7866 .5303 .8146 |
|
P2 .7776 .8656 .3504 |
|
P3 .9474 .1416 .9771 |
|
P4 .6498 .3242 .2154 |
|
O1 .6353 .5361 .6585 |
|
O2 .7786 .4164 .8182 |
|
O3 .9414 .5668 .7922 |
|
O4 .7899 .5964 .9793 |
|
O5 .5897 .8477 .3031 |
|
O6 .8098 .7799 .2346 |
|
O7 .8200 .9720 .3272 |
|
O8 .8605 .8603 .5342 |
|
O9 .8679 .2265 .9042 |
|
O10 .8767 .1163 .1027 |
|
O11 .8994 .0468 .8260 |
|
O12 .1326 .1753 .077 |
|
O13 .4816 .2558 .1506 |
|
O14 .6869 .4102 .3706 |
|
O15 .7844 .2589 .2829 |
|
O16 .6676 .3605 .0698 |
|
O17 .5721 .5726 .1782 |
|
O18 .5105 .6799 .4713 |
|
O19 .1596 .3574 .4823 |
|
O20 .5581 .0304 .8957 |
|
O21 .7147 .1319 .5300 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cd O12 P4 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B31 (1975) 2453-2456 |
|
Structure cristalline du polyphophate de cadmium-baryum: Cd Ba (P O3)4 |
|
_cod_database_code 1007251 |
|
_database_code_amcsd 0015933 |
|
14.94 9.192 7.219 90 90.79 90 P2_1/n |
|
atom x y z |
|
Ba1 .36670 .10787 .01685 |
|
Cd1 .15718 .76690 .00211 |
|
P1 .55915 .16427 .37133 |
|
P2 .04118 .24853 .26176 |
|
P3 .67783 .48245 .86458 |
|
P4 .67669 .40058 .26028 |
|
O1 .5841 .3194 .2843 |
|
O2 .5882 .1888 .5834 |
|
O3 .0857 .0927 .2858 |
|
O4 .6556 .4943 .0809 |
|
O5 .4599 .1553 .3513 |
|
O6 .6140 .0456 .2999 |
|
O7 .9440 .2214 .2301 |
|
O8 .5631 .1550 .9200 |
|
O9 .6711 .6347 .7972 |
|
O10 .2542 .1071 .3287 |
|
O11 .7404 .2946 .2318 |
|
O12 .6920 .4992 .4205 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Zn5(P3O10)2(H2O)17 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B31 (1975) 2482-2486 |
|
Structure cristalline du tripolyphosphate de zinc heptadecahydrate: |
|
Zn5(P3O10)2(H2O)17 |
|
_cod_database_code 1007252 |
|
_database_code_amcsd 0015934 |
|
10.766 10.316 8.525 111.39 115.08 70.19 P-1 |
|
atom x y z |
|
Zn1 0 0 0 |
|
Zn2 .46640 .05593 .74300 |
|
Zn3 .26862 .54272 .26141 |
|
P1 .2537 .0660 .3626 |
|
P2 .1769 .2457 .1240 |
|
P3 .4548 .2208 .1299 |
|
O1 .2437 .2067 .3106 |
|
O2 .3019 .1816 .0453 |
|
O3 .1150 .0249 .2664 |
|
O4 .6278 .0492 .6918 |
|
O5 .2894 .1165 .5644 |
|
O6 .1385 .4040 .1613 |
|
O7 .0605 .1677 -.0023 |
|
O8 .5498 .1204 .2463 |
|
O9 .4955 .1950 -.0289 |
|
O10 .4400 .3738 .2377 |
|
O11 .5877 .3207 .6337 |
|
O12 .7771 .4327 .9914 |
|
O13 .8970 .2827 .7097 |
|
O14 .6861 .4601 .4755 |
|
O15 .8271 .1562 .0794 |
|
O16 .8961 .0805 .3937 |
|
O17 .1183 .3764 .7137 |
|
O18 .5 .5 0 |
|
O19 .9142 .3934 .3854 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 H20 O28 P6 Zn |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B31 (1975) 2680-2682 |
|
Structure cristalline du trimetaphosphate de baryum-zinc decahydrate |
|
Ba2 Zn (P3 O9)2 (H2 O)10 |
|
_cod_database_code 1007027 |
|
_database_code_amcsd 0009546 |
|
26.52 7.625 12.92 90 100.93 90 C2/c |
|
atom x y z |
|
Zn1 0 .2551 .25 |
|
Ba1 .22102 .29285 .31759 |
|
P1 .3170 .2931 .1612 |
|
P2 .1026 .0286 .3692 |
|
P3 .3349 .3544 .9497 |
|
O1 .3847 .4472 .0101 |
|
O2 .3164 .2373 .0379 |
|
O3 .3741 .3799 .1981 |
|
O4 .3165 .1328 .2275 |
|
O5 .2761 .4271 .1612 |
|
O6 .1306 .1949 .3655 |
|
O7 .0448 .0268 .3279 |
|
O8 .1482 .2707 .1239 |
|
O9 .2042 .0176 .0873 |
|
O10 .2952 .1299 .4763 |
|
O11 .0448 .4348 .3183 |
|
O12 .3986 .1207 .4064 |
|
O13 .0455 .2275 .1399 |
|
O14 .4987 .2227 .0901 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
MoTe2O7 |
| |
Arnaud Y, Averbuch-Pouchot M, Durif A, Guidot J |
 |
Acta Crystallographica B32 (1976) 1417-1420 |
|
Structure cristalline de l'ox de mixte de molybdene-tellure: MoTe2O7 |
|
_cod_database_code 1007001 |
|
_database_code_amcsd 0009555 |
|
4.286 8.618 15.945 90 95.68 90 P2_1/c |
|
atom x y z |
|
Mo1 .12276 .86526 .06805 |
|
Te1 .15406 .04167 .2727 |
|
Te2 .30688 .30443 .10936 |
|
O1 .9677 .1678 .4352 |
|
O2 .9422 .3970 .3148 |
|
O3 .4276 .1594 .1928 |
|
O4 .4302 .4814 .1891 |
|
O5 .9096 .3588 .1438 |
|
O6 .4812 .3729 .4323 |
|
O7 .0278 .1072 .0502 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd3 H28 O32 P6 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 1533-1535 |
|
Etude a basse temperature du trimetaphosphate de cadmium tetradeca- |
|
hydrate Cd3 (P3 O9)2 (H2 O)14 |
|
_cod_database_code 1007003 |
|
_database_code_amcsd 0009560 |
|
12.285 12.285 5.494 90 90 120 P-3 |
|
atom x y z |
|
Cd1 .5 .5 0 |
|
P1 .54217 .35524 .49038 |
|
O1 .5413 .2267 .5338 |
|
O2 .6456 .1580 .2220 |
|
O3 .0918 .4633 .3318 |
|
O4 .8973 .2815 -.0073 |
|
O5 .2454 .0408 .5248 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd3 H28 O32 P6 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 1533-1535 |
|
Etude a basse temperature du trimetaphosphate de cadmium tetradeca- |
|
hydrate Cd3 (P3 O9)2 (H2 O)14 |
|
_cod_database_code 1007004 |
|
_database_code_amcsd 0009561 |
|
12.197 12.197 5.470 90 90 120 P-3 |
|
atom x y z |
|
Cd1 .5 .5 0 |
|
P1 .54076 .35413 .48836 |
|
O1 .5405 .2251 .5383 |
|
O2 .6469 .1596 .2180 |
|
O3 .0896 .4601 .3326 |
|
O4 .8985 .2803 -.0072 |
|
O5 .2445 .0386 .5309 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H13 O16 P3 Zn2 |
| |
Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B32 (1976) 1670-1673 |
|
Structure cristalline du tripolyphosphate acide de zinc hexahydrate, |
|
Zn2 H P3 O10 (H2 O)6 |
|
_cod_database_code 1008005 |
|
_database_code_amcsd 0015953 |
|
10.714 10.658 8.391 114.51 103.21 74.31 P-1 |
|
atom x y z |
|
Zn1 0 0 0 |
|
Zn2 .5 .5 0 |
|
Zn3 .04808 .51380 .28237 |
|
P1 .7939 .5531 .0242 |
|
P2 .7723 .2789 -.0002 |
|
P3 .9345 .2809 .3307 |
|
O1 .8849 .6077 .1924 |
|
O2 .6528 .6010 .0533 |
|
O3 .1793 .4185 .1245 |
|
O4 .8335 .3831 .9602 |
|
O5 .8455 .1350 .9105 |
|
O6 .6280 .3076 .9570 |
|
O7 .8037 .3261 .2088 |
|
O8 .0367 .3535 .3287 |
|
O9 .8898 .3364 .5111 |
|
O10 .9740 .1245 .2564 |
|
O11 .4812 .4658 .7270 |
|
O12 .1395 .1122 -.0088 |
|
O13 .3109 .2932 .4675 |
|
O14 .0069 .1009 .6408 |
|
O15 .6598 .2623 .5150 |
|
O16 .4720 .2630 .2025 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd3 H20 O28 P6 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 1894-1896 |
|
Trimetaphosphate de cadmium decahydrate |
|
_cod_database_code 1007007 |
|
_database_code_amcsd 0009566 |
|
9.424 17.87 7.762 90 107.72 90 P2_1/n |
|
atom x y z |
|
Cd1 .31953 .71958 .08657 |
|
Cd2 .5 0 0 |
|
P1 .2986 .3117 .8186 |
|
P2 .0749 .3123 .0070 |
|
P3 .2025 .4521 .9480 |
|
O1 .1714 .2768 .8891 |
|
O2 .0662 .3984 .9507 |
|
O3 .3161 .3947 .9000 |
|
O4 .4384 .2698 .9055 |
|
O5 .2412 .3165 .6183 |
|
O6 .1609 .3070 .2016 |
|
O7 -.0761 .2796 -.0646 |
|
O8 .1445 .5073 .7995 |
|
O9 .2785 .4806 .1328 |
|
O10 .4114 .1182 .0414 |
|
O11 .1590 .1205 .2123 |
|
O12 .2004 .1400 .6446 |
|
O13 .4929 .3735 .3455 |
|
O14 .2007 .4521 .4433 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag0.62 H18.38 O19 P3 Zn2 |
| |
Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B32 (1976) 2270-2274 |
|
Structure cristalline d'un tripolyphosphate acide mixte zinc-argent |
|
nonahydrate: Zn2 Ag0.62 H0.38 P3 O10 (H2 O)9 |
|
_cod_database_code 1008001 |
|
_database_code_amcsd 0015949 |
|
10.473 10.683 8.629 101.08 109.81 98.87 P-1 |
|
atom x y z occ |
|
Zn1 0 0 0 |
|
Zn2 .5 .5 .5 |
|
Zn3 .49618 .04802 .76801 |
|
Ag1 .02347 .14238 .41954 .62 |
|
P1 .28901 .06500 .96031 |
|
P2 .28297 .22409 .27121 |
|
P3 .54975 .20593 .50696 |
|
O1 .1318 .0281 .8766 |
|
O2 .3581 .1101 .8459 |
|
O3 .6536 .0404 .9625 |
|
O4 .3341 .1964 .1159 |
|
O5 .1374 .1459 .2189 |
|
O6 .3115 .3688 .3377 |
|
O7 .3803 .1636 .4084 |
|
O8 .6042 .1185 .3961 |
|
O9 .5762 .1765 .6774 |
|
O10 .5999 .3489 .5243 |
|
O11 .9045 .1471 .8992 |
|
O12 .4445 .4848 .7154 |
|
O13 .2179 .2796 .6786 |
|
O14 .9180 .3233 .3853 |
|
O15 .8724 .0610 .5479 |
|
O16 .6914 .4345 .9201 |
|
O17 .6609 .3106 .1590 |
|
O18 .0716 .3656 .8927 |
|
O19 .9066 .4842 .6707 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H4 Li2 N O9 P3 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 2440-2443 |
|
Structure cristalline du polyphosphate de lithium-ammonium, Li2NH4(PO3)3 |
|
_cod_database_code 1007005 |
|
_database_code_amcsd 0009573 |
|
12.199 13.047 10.537 90 90 90 Pbca |
|
atom x y z |
|
P1 .91165 .19455 .18759 |
|
P2 .04817 .01481 .24518 |
|
P3 .09275 .34094 .20287 |
|
O1 .3266 .1845 .4120 |
|
O2 .3780 .1981 .1778 |
|
O3 .5009 .1072 .3362 |
|
O4 .4798 .2948 .3487 |
|
O5 .3899 .4493 .1563 |
|
O6 .1054 .0546 .3586 |
|
O7 .0621 .4597 .2096 |
|
O8 .1190 .3027 .3311 |
|
O9 .1749 .3292 .1007 |
|
N1 .2576 .4279 .5055 |
|
Li1 .1649 .1800 .4157 |
|
Li2 .3346 .3241 .0945 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hg Li2 O12 P4 |
| |
Averbuch-Pouchot M, Tordjman I, Guitel J |
 |
Acta Crystallographica B32 (1976) 2953-2956 |
|
Structures cristallines des polyphosphates de cadmium-lithium et de |
|
mercure-lithium Cd Li2 (P O3)4 et Hg Li2 (P O3)4 |
|
_cod_database_code 1008008 |
|
_database_code_amcsd 0015956 |
|
9.525 9.989 9.461 90 92.01 90 P2_1/a |
|
atom x y z |
|
Hg1 .51198 .30962 .25329 |
|
P1 .2275 .4653 .2366 |
|
P2 .2996 .1012 .4940 |
|
P3 .3027 .9024 .2674 |
|
P4 .2944 .1068 .0359 |
|
O1 .1818 .3270 .2636 |
|
O2 .3828 .4860 .2415 |
|
O3 .1580 .5636 .3439 |
|
O4 .1588 .5144 .0930 |
|
O5 .1454 .1146 .4778 |
|
O6 .3947 .2137 .4612 |
|
O7 .8490 .5320 .4178 |
|
O8 .1485 .8861 .2567 |
|
O9 .3947 .7843 .2469 |
|
O10 .8518 .4781 .1683 |
|
O11 .1391 .1167 .0375 |
|
O12 .3822 .2290 .0342 |
|
Li1 .004 .832 .390 |
|
Li2 .005 .827 .104 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Li2 O12 P4 |
| |
Averbuch-Pouchot M, Tordjman I, Guitel J |
 |
Acta Crystallographica B32 (1976) 2953-2956 |
|
Structures cristallines des polyphosphates de cadmium-lithium et de |
|
mercure-lithium Cd Li2 (P O3)4 et Hg Li2 (P O3)4 |
|
_cod_database_code 1008009 |
|
_database_code_amcsd 0015957 |
|
9.495 10.15 9.375 90 90 90 Pnam |
|
atom x y z |
|
Cd1 .5136 .3058 .25 |
|
P1 .226 .487 .25 |
|
P2 .294 .110 .468 |
|
P3 .304 .898 .25 |
|
O1 .143 .354 .25 |
|
O2 .391 .494 .25 |
|
O3 .166 .576 .375 |
|
O4 .850 .506 .382 |
|
O5 .146 .121 .449 |
|
O6 .385 .229 .439 |
|
O7 .155 .884 .25 |
|
O8 .392 .778 .25 |
|
Li1 .008 .836 .386 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H8 N2 O13 P4 Si |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B32 (1976) 2957-2960 |
|
Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple |
|
de silicium hexacoordine |
|
_cod_database_code 1007008 |
|
_database_code_amcsd 0009577 |
|
15.14 7.684 4.861 97.86 96.74 83.89 P-1 |
|
atom x y z |
|
Si1 .75896 .0618 .0439 |
|
P1 .85025 .2134 .6039 |
|
P2 .69218 .4094 .8195 |
|
P3 .78874 .6806 .1797 |
|
P4 .66334 .9138 .4800 |
|
O1 .9367 .2872 .6948 |
|
O2 .8281 .0764 .7814 |
|
O3 .8445 .1365 .2960 |
|
O4 .7704 .3706 .6272 |
|
O5 .6032 .4221 .6638 |
|
O6 .7093 .2806 .0342 |
|
O7 .7076 .6003 .9791 |
|
O8 .8654 .5528 .2301 |
|
O9 .8076 .8417 .0537 |
|
O10 .7414 .7522 .4523 |
|
O11 .5748 .8509 .3834 |
|
O12 .6894 .0485 .3060 |
|
O13 .6721 .9846 .7892 |
|
N1 .4940 .7438 .8266 |
|
N2 .0322 .3140 .2310 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Be2 H4 N O10 P3 |
| |
Averbuch-Pouchot M, Durif A, Coing-Boyat J, Guitel J |
 |
Acta Crystallographica B33 (1977) 203-205 |
|
Phosphoberyllate d'ammonium |
|
_cod_database_code 1007009 |
|
_database_code_amcsd 0009581 |
|
12.202 8.645 8.949 90 117.41 90 C2/c |
|
atom x y z |
|
P1 .18242 .18581 .24572 |
|
P2 0 .38353 .25 |
|
O1 .19488 .11733 .10003 |
|
O2 .27552 .31104 .33844 |
|
O3 .17066 .06620 .36050 |
|
O4 .04893 .27255 .15290 |
|
O5 .10564 .47539 .37725 |
|
N1 0 .8026 .25 |
|
Be1 .2561 .4580 .4390 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H18 Na O19 P3 Zn2 |
| |
Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B33 (1977) 1427-1431 |
|
Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate: |
|
Zn2 Na P3 O10 . 9 H2 O |
|
_cod_database_code 1008012 |
|
_database_code_amcsd 0015960 |
|
10.454 10.675 8.629 101.14 109.85 99.03 P-1 |
|
atom x y z |
|
Zn1 0 0 0 |
|
Zn2 .5 .5 .5 |
|
Zn3 .49603 .04736 .76744 |
|
Na1 .0230 .1316 .4086 |
|
P1 .2888 .0637 .9589 |
|
P2 .2835 .2238 .2698 |
|
P3 .5504 .2062 .5070 |
|
O1 .1324 .0256 .8756 |
|
O2 .3571 .1081 .8443 |
|
O3 .6531 .0407 .9635 |
|
O4 .3330 .1954 .1140 |
|
O5 .1382 .1463 .2190 |
|
O6 .3129 .3683 .3363 |
|
O7 .3811 .1625 .4062 |
|
O8 .6055 .1190 .3977 |
|
O9 .5751 .1773 .6770 |
|
O10 .6005 .3491 .5253 |
|
O11 .9042 .1468 .8976 |
|
O12 .4417 .4842 .7136 |
|
O13 .2127 .2725 .6698 |
|
O14 .9263 .3148 .3783 |
|
O15 .8761 .0602 .5070 |
|
O16 .6880 .4341 .9195 |
|
O17 .6613 .3112 .1599 |
|
O18 .0734 .3634 .8890 |
|
O19 .9047 .4791 .6674 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cr2 H3 O11 P |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B33 (1977) 1431-1435 |
|
Existence d'un nouvel anion condense: Cr2PO10. |
|
Structures cristallines de deux phosphochromates de baryum: |
|
BaHCr2PO10*H2O et BaHCr2PO10*3H2O |
|
_cod_database_code 1007011 |
|
_database_code_amcsd 0009587 |
|
9.333 7.779 7.526 106.28 105.37 94.14 P-1 |
|
atom x y z |
|
Ba1 .11799 .45756 .26568 |
|
Cr1 .7503 .7264 .2443 |
|
Cr2 .2536 .9304 .1187 |
|
P1 .7823 .1499 .3165 |
|
O1 .5879 .7032 .0974 |
|
O2 .8613 .6208 .1316 |
|
O3 .7362 .6521 .4181 |
|
O4 .8264 .9696 .3456 |
|
O5 .6731 .217 .4409 |
|
O6 .9135 .2970 .3904 |
|
O7 .6894 .1135 .1023 |
|
O8 .1462 .7499 .1032 |
|
O9 .1629 .1009 .1312 |
|
O10 .4036 .9781 .2983 |
|
O11 .4155 .4657 .2877 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cr2 H7 O13 P |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B33 (1977) 1431-1435 |
|
Existence d'un nouvel anion condense: Cr2PO10. |
|
Structures cristallines de deux phosphochromates de baryum: |
|
BaHCr2PO10*H2O et BaHCr2PO10*3H2O |
|
_cod_database_code 1007012 |
|
_database_code_amcsd 0009588 |
|
10.189 8.207 7.749 108.80 107.14 89.04 P-1 |
|
atom x y z |
|
Ba1 .16728 .23536 .16567 |
|
Cr1 .5919 .4023 .3027 |
|
Cr2 -.0039 .7149 .3840 |
|
P1 .7998 .1427 .2021 |
|
O1 .9070 .1236 .1034 |
|
O2 .7021 .9718 .1073 |
|
O3 .7122 .2933 .1745 |
|
O4 .8513 .1704 .4180 |
|
O5 .3243 .517 .475 |
|
O6 .5312 .550 .213 |
|
O7 .4707 .2639 .271 |
|
O8 .8648 .751 .461 |
|
O9 .9858 .7933 .217 |
|
O10 .0133 .5109 .311 |
|
O11 .2855 .9648 .305 |
|
O12 .2378 .512 .064 |
|
O13 .5586 .8985 .294 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al H5 N O10 P3 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B33 (1977) 1436-1438 |
|
Structure cristalline d'un tripolyphosphate acide d'aluminium-ammonium: |
|
Al (N H4) H P3 O10 |
|
_cod_database_code 1007013 |
|
_database_code_amcsd 0009589 |
|
11.643 4.918 8.705 90 119.27 90 P2/a |
|
atom x y z |
|
Al1 0 0 0 |
|
P1 .0023 .4997 .2277 |
|
P2 .25 .7619 0 |
|
N1 .25 .011 .5 |
|
O1 -.0129 .209 .8091 |
|
O2 .4367 .454 .5746 |
|
O3 .0571 .301 .1490 |
|
O4 .3475 .563 .1491 |
|
O5 .1779 -.080 .0728 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd Cs O9 P3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica B33 (1977) 3114-3116 |
|
Structure cristalline du trimetaphosphate de cadmium caesium CdCsP3O9 |
|
_cod_database_code 1007015 |
|
_database_code_amcsd 0009610 |
|
7.508 12.684 9.530 90 90 90 Pmcn |
|
atom x y z |
|
Cd1 .25 .72113 .48572 |
|
Cs1 .25 .08322 .11753 |
|
P1 .05193 .14885 .74665 |
|
P2 .25 .95884 .70205 |
|
O1 .25 .31801 .29322 |
|
O2 .08583 .03756 .67198 |
|
O3 .95073 .13140 .87650 |
|
O4 .98741 .22488 .64229 |
|
O5 .25 .87655 .59414 |
|
O6 .25 .93155 .85445 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd H10 N Na O10 P2 |
| |
Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B33 (1977) 3460-3462 |
|
Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, |
|
Ca NH4 Na P2O7 (H2O)3 et Cd NH4 Na P2O7 (H2O)3 |
|
et structure cristalline de Cd NH4 Na P2O7 (H2O)3 |
|
_cod_database_code 1008019 |
|
_database_code_amcsd 0015967 |
|
10.211 16.56 5.632 90 103.73 90 Cc |
|
atom x y z |
|
Cd1 0 .24383 0 |
|
P1 .8125 .2108 .4243 |
|
P2 .7944 .6276 .1205 |
|
Na1 -.0394 .4428 .2097 |
|
N1 .1054 .0685 .5489 |
|
O1 .8421 .6942 -.0575 |
|
O2 .8605 .8235 .1783 |
|
O3 .8927 .1789 .2499 |
|
O4 .1621 .2997 .8274 |
|
O5 .8688 .6466 .3793 |
|
O6 .6423 .6375 .0828 |
|
O7 .8288 .4513 .5218 |
|
O8 .8712 .0357 -.0073 |
|
O9 .1181 .4619 .9465 |
|
O10 .1113 .3261 .3279 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Be O6 P2 |
| |
Averbuch-Pouchot M, Durif A, Tordjman I |
 |
Acta Crystallographica B33 (1977) 3462-3464 |
|
Structure cristalline du polyphosphate de beryllium: Be(PO3)2 (II) |
|
_cod_database_code 1007017 |
|
_database_code_amcsd 0009613 |
|
6.959 12.853 4.839 90 106.79 90 P2_1/n |
|
atom x y z |
|
Be1 .7641 .0665 .1288 |
|
P1 .17111 .13135 .15001 |
|
P2 .58107 .15021 .54924 |
|
O1 .6496 .26230 .4727 |
|
O2 .3451 .15614 .4346 |
|
O3 .4891 .38661 .7440 |
|
O4 .7336 .44762 .4710 |
|
O5 .6626 .07169 .3878 |
|
O6 .6332 .13873 .8669 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H8 K4 O22 P6 Zn |
| |
Seethanen D, Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B34 (1978) 14-17 |
|
Structure cristalline du trimetaphosphate mixte de zinc-potassium |
|
tetrahydrate: K4 Zn (P3 O9)2 (H2 O)3 |
|
_cod_database_code 1007018 |
|
_database_code_amcsd 0009621 |
|
12.444 10.978 9.624 90 124.41 90 C2/m |
|
atom x y z |
|
Zn1 0 .5 .5 |
|
K1 .17476 0 .44082 |
|
K2 0 .22364 0 |
|
P1 .25694 0 .09819 |
|
P2 .34891 .36524 .21371 |
|
O1 .15297 0 .12169 |
|
O2 .39431 0 .24586 |
|
O3 .47712 .32147 .26227 |
|
O4 .27418 .29506 .26052 |
|
O5 .24469 .11214 -.01576 |
|
O6 .36668 .5 .28719 |
|
O7 .11654 .36432 .49168 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd H4 K4 O20 P6 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica B34 (1978) 20-22 |
|
Donnes cristallochimiques et structure cristalline du trimetaphosphate: |
|
Cd K4 (P3 O9)2 (H2 O)2 |
|
_cod_database_code 1008020 |
|
_database_code_amcsd 0015968 |
|
9.235 7.599 7.148 96.38 103.90 102.06 P-1 |
|
atom x y z |
|
Cd1 0 0 0 |
|
P1 .2285 .0279 .4774 |
|
P2 .5038 .2660 .7726 |
|
P3 .1973 .3087 .7708 |
|
K1 .5193 .2555 .2675 |
|
K2 .1183 .4927 .2783 |
|
O1 .1916 .0823 .2823 |
|
O2 .2035 .8339 .4989 |
|
O3 .5922 .1653 .9023 |
|
O4 .5814 .4305 .7136 |
|
O5 .1074 .2786 .9167 |
|
O6 .1945 .4674 .6712 |
|
O7 .4052 .1261 .5778 |
|
O8 .3720 .3042 .8728 |
|
O9 .1432 .1233 .6142 |
|
O10 .8674 .1780 .1322 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H14 K4 Ni O25 P6 |
| |
Seethanen D, Tordjman I, Averbuch-Pouchot M |
 |
Acta Crystallographica B34 (1978) 2387-2390 |
|
Structure cristalline du trimetaphosphate mixte de nickelpotassium |
|
heptahydrate, Ni K4 (P3 O9)2 (H2 O)7, et donnees |
|
cristallographiques de Co K4 (P3 O9)2 (H2 O)7 |
|
_cod_database_code 1008027 |
|
_database_code_amcsd 0015974 |
|
23.03 11.882 8.732 90 90 90 Fm2m |
|
atom x y z |
|
Ni1 0 0 0 |
|
K1 .25 .02904 .25 |
|
K2 .11389 .60717 0 |
|
P1 .23557 .27202 0 |
|
P2 .13047 .3216 .16856 |
|
O1 .19093 .25618 .14304 |
|
O2 .10178 .31841 0 |
|
O3 .27303 .17091 0 |
|
O4 .25828 .38806 0 |
|
O5 .09275 .25072 .26792 |
|
O6 .13988 .44089 .21560 |
|
O7 .09038 .00527 0 |
|
O8 0 .12086 .16853 |
|
O9 0 -.11614 .16937 |
|
O10 0 .51858 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba(PO3)2 |
| |
Coing-Boyat J, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B34 (1978) 2689-2692 |
|
Structure cristalline du polyphosphate de Baryum gamma: gamma |
|
_cod_database_code 1008030 |
|
_database_code_amcsd 0015977 |
|
9.695 6.906 7.522 90 94.75 90 P2_1/n |
|
atom x y z |
|
Ba1 .33374 .40293 .64267 |
|
P1 .4220 .2053 .1286 |
|
P2 .1638 .3939 .1206 |
|
O1 .3985 -.0020 .2166 |
|
O2 .3146 .3422 .2222 |
|
O3 .0873 .2097 .0848 |
|
O4 .3721 .1845 -.0630 |
|
O5 .3181 .0297 .5272 |
|
O6 .0643 .2232 .6756 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag2 Cr2 O7 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B34 (1978) 3335-3337 |
|
Structure du dichromate d'argent: Ag2 Cr2 O7 |
|
_cod_database_code 1007030 |
|
_database_code_amcsd 0009646 |
|
6.968 7.148 6.544 110.82 96.11 91.05 P-1 |
|
atom x y z |
|
Ag1 .15444 .18515 .75394 |
|
Ag2 .63570 .45340 .73456 |
|
Cr1 .33748 .01729 .23988 |
|
Cr2 .84542 .31093 .20193 |
|
O1 .7464 .0602 .0467 |
|
O2 .4322 .2465 .3297 |
|
O3 .4961 .8581 .2655 |
|
O4 .1520 -.0005 .3649 |
|
O5 .7003 .4747 .1529 |
|
O6 .0541 .3343 .1170 |
|
O7 .8680 .3311 .4565 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
(NH4)2HCr3AsO13 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica B34 (1978) 3350-3351 |
|
Structure du tris(chromato)arsenate de diammonium-hydrogene, (NH4)2HCr3AsO13: |
|
mise en evidence d'un nouvel anion (Cr3AsO13)^3-^ |
|
_cod_database_code 1008032 |
|
_database_code_amcsd 0015979 |
|
14.02 9.49 9.57 90 93.12 90 P2_1/c |
|
atom x y z |
|
N1 .3601 .1680 .4867 |
|
N2 .0386 .3066 .3096 |
|
As1 .31450 .78414 .04409 |
|
Cr1 .14424 .57111 .04849 |
|
Cr2 .48282 .56350 .71163 |
|
Cr3 .19377 .06337 .10580 |
|
O1 .3112 .6655 .3734 |
|
O2 .2742 .6173 .0459 |
|
O3 .4279 .7858 .1123 |
|
O4 .2452 .8860 .1397 |
|
O5 .1360 .4110 -.0059 |
|
O6 .0827 .8196 .4538 |
|
O7 .1099 .5787 .2046 |
|
O8 .4026 .4220 .2963 |
|
O9 .4538 .9257 .3710 |
|
O10 .4451 .0808 .1428 |
|
O11 .0800 .0568 .1156 |
|
O12 .2206 .3917 .4501 |
|
O13 .2406 .1735 .2163 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
As Cr2 H K2 O10 |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica B34 (1978) 3725-3727 |
|
Structure de l'Hydrogenobis(chromato)arsenate de Potassium |
|
K2HCr2AsO10 et Donnees Cristallographiques sur K2 H Cr2 P O10 |
|
_cod_database_code 1007083 |
|
_database_code_amcsd 0009653 |
|
7.712 7.712 14.644 90 90 120 P3_1 |
|
atom x y z |
|
Cr1 .4278 .4243 .2449 |
|
Cr2 .4191 .4205 .7530 |
|
As1 .1281 .0199 .3493 |
|
K1 .5520 .0182 .8389 |
|
K2 .6083 .0061 .3323 |
|
O1 .3557 .1857 .3021 |
|
O2 .6253 .4796 .1851 |
|
O3 .4692 .5941 .3209 |
|
O4 .2453 .3904 .1759 |
|
O5 .1898 .3371 .6867 |
|
O6 .7722 .1699 .1422 |
|
O7 .1433 .5565 .4931 |
|
O8 .4945 .0868 .0147 |
|
O9 .0873 .097 .4482 |
|
O10 .0157 -.0424 .6142 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O12 P3 Zn4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica B35 (1979) 151-152 |
|
Structure du Monophosphate de Potassium-Zinc: K Zn4 (P O4)3 |
|
_cod_database_code 1007082 |
|
_database_code_amcsd 0009661 |
|
13.81 8.166 9.675 90 90 90 Pccn |
|
atom x y z |
|
Zn1 .05049 .1055 .19316 |
|
Zn2 .14556 .08671 .49742 |
|
K1 .75 .25 .1930 |
|
P1 .5655 .2454 .4338 |
|
P2 .25 .25 .2538 |
|
O1 .2630 .4022 .3415 |
|
O2 .3396 .2356 .1556 |
|
O3 .4712 .3420 .3930 |
|
O4 .4129 .6182 .1767 |
|
O5 .1501 .6327 .0636 |
|
O6 .4482 .8297 .4250 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr3 K2 O10 |
| |
Blum D, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B35 (1979) 454-456 |
|
Structure du tripolychromate de potassium K2 Cr3 O10 |
|
_cod_database_code 1008040 |
|
_database_code_amcsd 0015987 |
|
7.618 17.791 7.354 90 99.20 90 P2_1/n |
|
atom x y z |
|
Cr1 .9658 .27747 .0435 |
|
Cr2 .6679 .40709 .9091 |
|
Cr3 .8380 .49915 .2583 |
|
K1 .3662 .41376 .3457 |
|
K2 .0733 .6965 .4651 |
|
O1 .119 .3079 .2037 |
|
O2 .5463 .2776 .4065 |
|
O3 .3166 .2636 .6379 |
|
O4 .3567 .1450 .4017 |
|
O5 .0373 .1403 .5139 |
|
O6 .0736 .0751 .2037 |
|
O7 .2816 .5083 .9817 |
|
O8 .0417 .4762 .2572 |
|
O9 .1709 .4170 .6676 |
|
O10 .2432 .0585 .8785 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
As Ba Cr2 H O10 |
| |
Blum D, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B35 (1979) 726-727 |
|
Un nouvel exemple d'anion du type (X Cr2 O10) (X=As). Structure de |
|
Ba H (As Cr2 O10) |
|
_cod_database_code 1008039 |
|
_database_code_amcsd 0015986 |
|
7.433 7.960 8.038 115.91 99.41 89.31 P-1 |
|
atom x y z |
|
Ba1 .24926 .7109 .1304 |
|
As1 .1753 .2855 .2383 |
|
Cr1 .4022 .8118 .7099 |
|
Cr2 .2184 .2583 .6214 |
|
O1 .076 .399 .123 |
|
O2 .123 .057 .140 |
|
O3 .404 .325 .265 |
|
O4 .133 .373 .464 |
|
O5 .325 .742 .490 |
|
O6 .25 .762 .806 |
|
O7 .464 .030 .817 |
|
O8 .365 .399 .809 |
|
O9 .049 .182 .672 |
|
O10 .331 .083 .491 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
As6 H30 N4 O34 V4 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B35 (1979) 1441-1444 |
|
Structure d'un arsenato vanadate d'ammonium. (NH4)4H6(As6V4O30)(H2O)4 |
|
_cod_database_code 1007036 |
|
_database_code_amcsd 0009671 |
|
14.40 16.31 9.831 90 136.29 90 C2/m |
|
atom x y z |
|
As1 .8243 .5 .2859 |
|
As2 0 .27438 .5 |
|
As3 .7519 0 .4017 |
|
V1 .5107 .9041 .7670 |
|
N1 .1507 .2155 .227 |
|
O1 .3039 .5 .2949 |
|
O2 .1100 0 .3564 |
|
O3 .1571 0 .1466 |
|
O4 .3728 .2837 .3119 |
|
O5 .4151 0 .5215 |
|
O6 .4341 0 .0986 |
|
O7 .3445 .0853 .2099 |
|
O8 .0727 .3260 .4544 |
|
O9 .1584 .4130 .3257 |
|
O10 .4194 .1601 .0594 |
|
O11 .4446 .3606 .1660 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Te(OH)6((NH4)2HPO4)2 |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B35 (1979) 1444-1447 |
|
Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 |
|
and Te(OH)6(Na2HPO4)(H2O) |
|
_cod_database_code 1007037 |
|
_database_code_amcsd 0009672 |
|
11.51 6.484 6.329 118.15 105.80 84.36 P-1 |
|
atom x y z |
|
Te1 0 0 0 |
|
P1 .32463 .35241 .8462 |
|
N1 .2201 .7016 .4266 |
|
N2 .3903 .0516 .2266 |
|
O1 .1829 .3698 .7845 |
|
O2 .3671 .1082 .6943 |
|
O3 .3723 .5245 .7674 |
|
O4 .3834 .4407 .1242 |
|
O5 .0016 .1535 .8080 |
|
O6 .1138 .2380 .2755 |
|
O7 .1424 .8772 .9037 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Te(OH)6(Na2HPO4)(H2O) |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B35 (1979) 1444-1447 |
|
Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 |
|
and Te(OH)6(Na2HPO4)(H2O) |
|
_cod_database_code 1007038 |
|
_database_code_amcsd 0009673 |
|
5.908 5.908 15.09 90 90 120 P6_3 |
|
atom x y z |
|
Te1 1/3 .6666 .0008 |
|
P1 0 0 .2334 |
|
Na1 1/3 .6666 .4604 |
|
Na2 .6666 1/3 .1820 |
|
O1 .2747 .1086 .2677 |
|
O2 .0356 .4368 .0727 |
|
O3 .3831 .0727 .4317 |
|
O4 0 0 .1316 |
|
O5 1/3 .6666 .2957 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KZn2H(PO4)2 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica B35 (1979) 1452-1454 |
|
Structure du monophosphate acide de potassium-zinc. KZn2H(PO4)2 |
|
_cod_database_code 1008037 |
|
_database_code_amcsd 0015984 |
|
9.432 8.907 5.220 72.67 78.33 76.09 P-1 |
|
atom x y z |
|
Zn1 .1077 .11346 .20612 |
|
Zn2 .23689 .38530 .39337 |
|
P1 .6027 .7504 .0961 |
|
P2 .0537 .7550 .3323 |
|
K1 .6779 .3046 .2877 |
|
O1 .0986 .2372 .4797 |
|
O2 .5970 .6976 .4021 |
|
O3 .1544 .5960 .4351 |
|
O4 .4379 .8116 .0364 |
|
O5 .0334 .7780 .0408 |
|
O6 .3350 .3903 .0271 |
|
O7 .3150 .1105 .0353 |
|
O8 .1195 .8869 .3718 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CdK2(Cr2O7)2(H2O) |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B35 (1979) 1456-1457 |
|
Structure du dichromate de cadmium-potassium dihydrate. CdK2(Cr2O7)2(H2O) |
|
_cod_database_code 1007226 |
|
_database_code_amcsd 0015908 |
|
7.999 7.956 6.733 115.18 80.55 96.11 P-1 |
|
atom x y z |
|
Cd1 .5 .5 .5 |
|
Cr1 .33017 -.01029 .27615 |
|
Cr2 .14480 .70709 .45096 |
|
K1 .8186 .7740 .0606 |
|
O1 .2303 .9364 .5009 |
|
O2 .4059 .2001 .3743 |
|
O3 .4765 .8417 .1395 |
|
O4 .1904 .9598 .1164 |
|
O5 .2958 .5570 .3373 |
|
O6 .0082 .6524 .2815 |
|
O7 .9367 .2885 .3132 |
|
O8 .6787 .4605 .1843 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
(NH4)6H6W12O42(H2O)10 |
| |
Averbuch-Pouchot M, Tordjman I, Durif A, Guitel J |
 |
Acta Crystallographica B35 (1979) 1675-1677 |
|
Structure d'un paratungstate d'ammonium (NH4)6H6W12O42(H2O)10 |
|
_cod_database_code 1007039 |
|
_database_code_amcsd 0009686 |
|
11.94 13.21 16.63 102.46 97.31 88.61 P-1 |
|
atom x y z |
|
W1 .7424 .9533 .62036 |
|
W2 .7292 .5447 -.00039 |
|
W3 .7939 .2657 .96147 |
|
W4 .2409 .8319 .49009 |
|
W5 .6377 .3307 .80437 |
|
W6 .7784 .7154 .50907 |
|
W7 .5801 .6094 .83515 |
|
W8 .5208 .7215 .02569 |
|
W9 .7264 .3707 .14962 |
|
W10 .9797 .6964 .38880 |
|
W11 .0363 .8637 .61082 |
|
W12 .7956 .9359 .39222 |
|
O1 .242 .111 .5146 |
|
O2 .366 .302 .523 |
|
O3 .176 .319 .610 |
|
O4 .085 .149 .622 |
|
O5 .316 .313 .959 |
|
O6 .127 .436 .976 |
|
O7 .471 .144 .937 |
|
O8 .310 .123 .685 |
|
O9 .917 .276 .922 |
|
O10 .743 .085 .593 |
|
O11 .547 .249 .727 |
|
O12 .574 .458 .793 |
|
O13 .653 .259 .527 |
|
O14 .722 .410 .9284 |
|
O15 .759 .337 .758 |
|
O16 .971 .419 .581 |
|
O17 .878 .236 .589 |
|
O18 .692 .223 .859 |
|
O19 .836 .350 .0721 |
|
O20 .583 .400 .188 |
|
O21 .686 .059 .4314 |
|
O22 .630 .291 .0272 |
|
O23 .745 .248 .179 |
|
O24 .900 .054 .481 |
|
O25 .825 .221 .429 |
|
O26 .849 .033 .331 |
|
O27 .812 .455 .228 |
|
O28 .973 .207 .311 |
|
O29 .810 .144 .988 |
|
O30 .683 .498 .086 |
|
O31 .457 .440 .049 |
|
O32 .044 .232 .4850 |
|
O33 .384 .352 .254 |
|
O34 .405 .066 .3979 |
|
O35 .223 .194 .3855 |
|
O36 .437 .265 .093 |
|
O37 .078 .040 .3790 |
|
O38 .238 .010 .272 |
|
O39 .277 .407 .112 |
|
O40 .181 .400 .459 |
|
O41 .507 .330 .886 |
|
O42 .034 .338 .714 |
|
N1 .489 .122 .575 |
|
N2 .922 .164 .751 |
|
N3 .975 .169 .139 |
|
N4 .524 .047 .774 |
|
N5 .316 .343 .755 |
|
N6 .630 .053 .061 |
|
O43 .962 .487 .851 |
|
O44 .642 .134 .262 |
|
O45 .382 .078 .102 |
|
O46 .139 .329 .254 |
|
O47 .498 .248 .364 |
|
O48 .886 .424 .401 |
|
O49 .162 .004 .843 |
|
O50 .130 .199 .924 |
|
O51 .745 .460 .637 |
|
O52 .166 .043 .121 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cr2 O7 |
| |
Blum D, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B35 (1979) 2685-2687 |
|
Structure du Dichromate de Baryum, Form alpha |
|
_cod_database_code 1008169 |
|
_database_code_amcsd 0016109 |
|
16.31 16.67 9.474 90 95.53 90 C2/c |
|
atom x y z |
|
Ba1 0 .45992 .25 |
|
Ba2 0 .04261 .25 |
|
Ba3 .20500 .75605 .71895 |
|
Cr1 .17106 .42198 .5028 |
|
Cr2 .30709 .44080 .0070 |
|
Cr3 .41862 .32566 .4593 |
|
Cr4 .43633 .19075 .0614 |
|
O1 .4041 .0208 .4527 |
|
O2 .1361 .3631 .3750 |
|
O3 .2905 .1265 .3647 |
|
O4 .2467 .4821 .4288 |
|
O5 .1366 .0991 .1137 |
|
O6 .2452 .3736 .0615 |
|
O7 .3623 .4775 .1339 |
|
O8 .0778 .1796 .3683 |
|
O9 .4579 .4114 .4179 |
|
O10 .3257 .3155 .4002 |
|
O11 .4743 .2458 .3898 |
|
O12 .3542 .2430 .0839 |
|
O13 .0613 .3286 .1078 |
|
O14 .4360 .1089 .1513 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H36 Na6 O46 V10 |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica B36 (1980) 680-682 |
|
Structure d'un Decavanadate d'Hexasodium Hydrate |
|
_cod_database_code 1007044 |
|
_database_code_amcsd 0009705 |
|
11.65 10.85 8.56 101.23 99.44 105.48 P-1 |
|
atom x y z |
|
V1 .24848 .18579 .30990 |
|
V2 .98662 .99462 .18646 |
|
V3 .27435 .19310 .95980 |
|
V4 .05858 .26773 .08439 |
|
V5 .20280 .92350 .04948 |
|
Na1 .6920 .2429 .4758 |
|
Na2 -.0251 .2639 .4601 |
|
Na3 .4875 .6432 .2789 |
|
O1 .1139 .0825 .0594 |
|
O2 .1586 .3061 .2855 |
|
O3 .6223 .7357 .1233 |
|
O4 .9291 .1427 .1552 |
|
O5 .8178 .6881 .0226 |
|
O6 .2527 .7979 .0378 |
|
O7 .0910 .0814 .3615 |
|
O8 .0055 .3915 .0943 |
|
O9 .8597 .9097 .2401 |
|
O10 .0503 .8518 .1279 |
|
O11 .2754 .0230 .2603 |
|
O12 .3458 .2513 .1790 |
|
O13 .6977 -.0285 .0459 |
|
O14 .6702 .7469 .5063 |
|
O15 .5572 .4559 .2382 |
|
O16 .7955 .0850 .4647 |
|
O17 .8423 .6303 .3385 |
|
O18 .3288 .5713 .0383 |
|
O19 .3526 .5553 .4411 |
|
O20 .1128 .6614 .2995 |
|
O21 .8318 .3591 .3300 |
|
O22 .4546 .8532 .3719 |
|
O23 .5535 .0908 .2308 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H9 Na3 O14 P2 Te |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica B36 (1980) 2405-2406 |
|
Structure d'un phosphate tellurate de sodium: Te(OH)6Na2HPO4NaH2PO4 |
|
_cod_database_code 1008833 |
|
_database_code_amcsd 0016702 |
|
7.883 7.883 10.863 90 90 120 P6_322 |
|
atom x y z |
|
Na1 .5292 .0583 .25 |
|
Te1 0 0 .25 |
|
P1 2/3 1/3 .52169 |
|
O1 .2090 .0126 .3482 |
|
O2 2/3 1/3 .3833 |
|
O3 .6469 .1401 .5759 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H6 K2 O10 S Te |
| |
Zilber R, Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B36 (1980) 2743-2745 |
|
Structure of Potassium Sulfate Tellurate: Te (O H)6 K2 S O4 |
|
_cod_database_code 1007052 |
|
_database_code_amcsd 0009721 |
|
6.243 6.647 13.405 73.14 103.05 116.97 P-1 |
|
atom x y z |
|
Te1 0 0 0 |
|
Te2 .5 .5 .5 |
|
S1 .7488 .2845 .2516 |
|
K1 .0784 .8826 .3505 |
|
K2 .3061 .5915 .1497 |
|
O1 .1063 .3262 .9893 |
|
O2 .7304 .9371 .0690 |
|
O3 .1936 .9782 .1330 |
|
O4 .2086 .2707 .4436 |
|
O5 .3228 .6656 .5075 |
|
O6 .5613 .6787 .3587 |
|
O7 .6034 .3692 .1593 |
|
O8 .5835 .1201 .3314 |
|
O9 .8650 .1638 .2179 |
|
O10 .9394 .4771 .2938 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Te(OH)6(Na3P3O9)2(H2O)6 |
| |
Boudjada N, Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica B37 (1981) 645-647 |
|
Structure du trimetaphosphate-tellurate de sodium hexahydrate |
|
Te(OH)6(Na3P3O9)2(H2O)6 |
|
_cod_database_code 1007243 |
|
_database_code_amcsd 0015925 |
|
11.67 11.67 12.12 90 90 120 P6_3/m |
|
atom x y z |
|
Te1 0 0 0 |
|
P1 .4977 .7505 .4922 |
|
Na1 .1300 .5574 .25 |
|
Na2 .1266 .8465 .25 |
|
O1 .2425 .4796 .1283 |
|
O2 .4058 .5970 .5271 |
|
O3 .6113 .8000 .5706 |
|
O4 .8670 -.0004 .4061 |
|
O5 .3487 .0247 .25 |
|
O6 .3867 .3476 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H10 K3 O17 P3 Te |
| |
Boudjada N, Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica B37 (1981) 647-649 |
|
Structure d'un Trimetaphosphate-Tellurate de Potassium Dihydrate |
|
Te(OH)6K3P3O9(H2O)2 |
|
_cod_database_code 1007063 |
|
_database_code_amcsd 0009733 |
|
15.61 7.456 14.84 90 108.01 90 P2_1/c |
|
atom x y z |
|
Te1 .18772 .25191 .10579 |
|
K1 .60839 .7988 .5051 |
|
K2 .44721 .0503 .2716 |
|
K3 .94655 .3136 .3718 |
|
P1 .74625 .1616 .6492 |
|
P2 .62505 .2787 .4688 |
|
P3 .60188 .4089 .6443 |
|
O1 .1999 .2615 -.0184 |
|
O2 .1810 .2552 .2319 |
|
O3 .1980 -.0023 .1083 |
|
O4 .3141 .2940 .1477 |
|
O5 .0606 .2168 .0588 |
|
O6 .1646 .5083 .0985 |
|
O7 .7058 -.0116 .6638 |
|
O8 .8450 .3119 .1874 |
|
O9 .6459 .3719 .3901 |
|
O10 .5573 .1348 .4495 |
|
O11 .5321 .2818 .6525 |
|
O12 .6033 .5928 .6820 |
|
O13 .7190 .2936 .0384 |
|
O14 .7002 .3234 .6892 |
|
O15 .6001 .4300 .5357 |
|
O16 -.9001 .4558 .3405 |
|
O17 .0404 -.0286 .3952 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H14 N2 O10 S Te |
| |
Zilber R, Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B37 (1981) 650-652 |
|
Structure of Ammonium Sulfate Tellurate Te (O H)6 (N H4)2 S O4 |
|
_cod_database_code 1007064 |
|
_database_code_amcsd 0009734 |
|
13.741 6.631 11.405 90 106.75 90 Cc |
|
atom x y z |
|
Te1 .25 .2486 0 |
|
S1 -.0011 .2405 .2454 |
|
O1 .9202 .263 .1160 |
|
O2 .0867 .375 .2383 |
|
O3 .0325 .029 .2528 |
|
O4 .4566 .195 .8343 |
|
O5 .3847 .147 .0785 |
|
O6 .2139 -.011 .9286 |
|
O7 .2180 .159 .1402 |
|
O8 .1143 .336 .9248 |
|
O9 .2703 .483 .1029 |
|
O10 .3005 .386 .8786 |
|
N1 .3980 .237 .4075 |
|
N2 .6047 .247 .1517 |
|
H1 .889 .527 .128 |
|
H2 .615 .627 .394 |
|
H3 .173 .207 .161 |
|
H4 .120 .602 .422 |
|
H5 .329 .520 .113 |
|
H6 .313 .420 .839 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H6 O10 S Te Tl2 |
| |
Zilber R, Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B38 (1982) 1554-1556 |
|
Structure of Thallium Sulfate Tellurate (Te (O H)6) (Tl2 S O4) |
|
_cod_database_code 1007071 |
|
_database_code_amcsd 0009763 |
|
12.053 7.205 12.354 90 110.85 90 P2_1/a |
|
atom x y z |
|
Tl1 .1449 .0018 .3514 |
|
Tl2 .1066 .4635 .8569 |
|
Te1 0 0 0 |
|
Te2 .5 0 .5 |
|
S1 .2433 .5106 .2485 |
|
O1 .224 .705 .221 |
|
O2 .351 .925 .725 |
|
O3 .243 .913 .850 |
|
O4 .352 .487 .350 |
|
O5 .436 .255 .993 |
|
O6 .152 .0083 .105 |
|
O7 .545 .446 .868 |
|
O8 .396 .118 .359 |
|
O9 .136 .390 .486 |
|
O10 .499 .209 .597 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H Mn O7 P2 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica B38 (1982) 2883-2885 |
|
Structure du Diphosphate Acide de Manganese(III): Mn H P2 O7 |
|
_cod_database_code 1007088 |
|
_database_code_amcsd 0009783 |
|
7.951 12.645 4.922 90 100.92 90 P2_1/n |
|
atom x y z |
|
Mn1 -.00446 .37443 .1265 |
|
P1 .2509 .46294 .6525 |
|
P2 .2423 .17624 .0625 |
|
O1 .1630 .0703 .9086 |
|
O2 .1983 .4020 .3868 |
|
O3 .3901 .2079 .9281 |
|
O4 .0990 .4875 .7936 |
|
O5 .2937 .1490 .3666 |
|
O6 .0943 .2525 .0032 |
|
O7 .3968 .4090 .8463 |
|
H1 .406 .342 .85 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Zn(PO3)2 |
| |
Averbuch-Pouchot M, Durif A, Bagieu-Beucher M |
 |
Acta Crystallographica C39 (1983) 25-26 |
|
Structure d'un Polyphosphate de Zinc, Zn(PO3)2 |
|
Note: pyroxene structure |
|
_cod_database_code 1007095 |
|
_database_code_amcsd 0009968 |
|
9.734 8.889 4.963 90 108.49 90 C2/c |
|
atom x y z |
|
Zn1 0 .11825 .25 |
|
P1 .21227 .41064 .23842 |
|
O1 .3527 -.0052 .0451 |
|
O2 .3740 .4270 .3403 |
|
O3 .1490 .2581 .1895 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H9 K3 O14 P2 Te |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C39 (1983) 27-28 |
|
Structure of a potassium diphosphate tellurate hydrate (K3HP2O7)(Te(OH)6)(H2O) |
|
_cod_database_code 1007096 |
|
_database_code_amcsd 0009969 |
|
15.98 7.226 6.253 109.49 84.34 101.83 P-1 |
|
atom x y z |
|
Te1 0 .5 .5 |
|
Te2 .5 .5 .5 |
|
K1 .58827 .1845 .8186 |
|
K2 .93837 .8386 .1833 |
|
K3 .26224 .4958 .6347 |
|
P1 .18418 .0001 .1536 |
|
P2 .32059 .0334 .8024 |
|
O1 .3995 .4566 .3362 |
|
O2 .5047 .7826 .5800 |
|
O3 .4285 .5096 .7667 |
|
O4 .0922 .5450 .6940 |
|
O5 .0736 .4028 .2440 |
|
O6 .0321 .7681 .4904 |
|
O7 .1885 .9039 .3359 |
|
O8 .1078 .9016 .0094 |
|
O9 .1943 .2231 .2510 |
|
O10 .2692 .9478 -.0057 |
|
O11 .3489 .8571 .6278 |
|
O12 .2552 .1150 .7055 |
|
O13 .3914 .1988 -.0827 |
|
O14 .2568 .5499 .0872 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H Na2 O9 P3 |
| |
Averbuch-Pouchot M, Guitel J, Durif A |
 |
Acta Crystallographica C39 (1983) 809-810 |
|
Structure d'un Trimetaphosphate Acide de Sodium: Na2 H P3 O9 |
|
_cod_database_code 1007098 |
|
_database_code_amcsd 0009975 |
|
7.788 7.809 7.129 116.69 103.41 81.94 P-1 |
|
atom x y z |
|
P1 .5448 .6271 .8196 |
|
P2 .7914 .8433 .7832 |
|
P3 .7939 .8448 .1900 |
|
Na1 .1456 .6520 .4854 |
|
Na2 .1614 .6476 -.0166 |
|
O1 .3996 .2385 .2754 |
|
O2 .8336 .9328 .0399 |
|
O3 .6025 .7643 .0756 |
|
O4 .6612 .4516 .7633 |
|
O5 .6499 .3778 .2304 |
|
O6 .7711 .0162 .7370 |
|
O7 .9250 .6912 .6945 |
|
O8 .7776 .0182 .3973 |
|
O9 .9269 .6910 .1951 |
|
H1 .784 .021 .520 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
SrNa2P4O12(H2O)6 |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Acta Crystallographica C39 (1983) 812-813 |
|
Structure of Disodium Strontium Tetrametaphosphate Hexahydrate, |
|
SrNa2P4O12(H2O)6 |
|
_cod_database_code 1007206 |
|
_database_code_amcsd 0009976 |
|
7.332 7.663 14.408 90 90 90 I2mm |
|
atom x y z |
|
Sr1 0 0 .5 |
|
P1 .8494 .1953 .10311 |
|
Na1 .1175 0 .2636 |
|
O1 .0072 .2196 .1669 |
|
O2 .1871 .1907 .3895 |
|
O3 .4326 .2962 .5 |
|
O4 .2722 .5 .6078 |
|
O5 .3321 .2049 0 |
|
O6 .2789 .5 .1469 |
|
O7 .3924 0 .1790 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag4V2O7 |
| |
Masse R, Averbuch-Pouchot M, Durif A, Guitel J |
 |
Acta Crystallographica C39 (1983) 1608-1610 |
|
Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag4V2O7 |
|
_cod_database_code 1007100 |
|
_database_code_amcsd 0009987 |
|
18.820 10.89 13.925 90 90 90 Pbca |
|
atom x y z |
|
Ag1 .91764 .0091 .8854 |
|
Ag2 .91647 .0018 .1235 |
|
Ag3 .17329 .2228 .8989 |
|
Ag4 .17061 .7515 .1221 |
|
Ag5 .83549 .2493 .6295 |
|
Ag6 .33895 .7488 .6576 |
|
Ag7 .08983 .4991 .1409 |
|
Ag8 .08592 .5090 .8697 |
|
V1 .2570 .9858 .7507 |
|
V2 .2579 -.0174 .0166 |
|
V3 -.0012 .7554 .7291 |
|
V4 .4981 .2549 .4968 |
|
O1 .2105 .468 .6220 |
|
O2 .3240 .415 .7400 |
|
O3 .1786 .095 .3055 |
|
O4 .2584 .356 .2619 |
|
O5 .1653 .565 .0067 |
|
O6 .2729 .828 .0289 |
|
O7 .4175 .321 -.0078 |
|
O8 .0003 .168 .3886 |
|
O9 .0749 .832 .2320 |
|
O10 -.0009 .873 .8074 |
|
O11 .4217 .672 .7667 |
|
O12 .4306 .841 .5031 |
|
O13 .0049 .368 .0846 |
|
O14 .2911 .990 .4182 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ce H4 N O12 P4 |
| |
Rzaigui M, Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C39 (1983) 1612-1613 |
|
Affinement de la Structure du Tetrametaphosphate d'Ammonium et de |
|
Cerium, Ce N H4 P4 O12. Relation Entre la Forme Cubique des |
|
Composes du Type Ln M^I^ P4 O12 et le Tetrametaphosphate |
|
d'Aluminium Al4 (P4 O12)3 |
|
_cod_database_code 1007094 |
|
_database_code_amcsd 0009988 |
|
15.23 15.23 15.23 90 90 90 I-43d |
|
atom x y z occ |
|
Ce1 .875 0 .25 |
|
N1 .112 .112 .112 .75 |
|
P1 .1227 .2994 .3854 |
|
O1 .4236 .0328 .3393 |
|
O2 .4626 .1699 .2639 |
|
O3 .1132 .0852 .4237 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cl2 Cr2 Hg K2 O7 |
| |
Averbuch-Pouchot M, El-Horr N, Guitel J |
 |
Acta Crystallographica C40 (1984) 725-728 |
|
Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), |
|
Hg Cl2 K2 Cr2 O7, and Mercury Dichloride - Diammonium Dichromate |
|
(1/1), Hg Cl2 ((N H4)2 Cr2 O7) |
|
_cod_database_code 1008240 |
|
_database_code_amcsd 0016162 |
|
12.372 10.438 8.191 90 92.32 90 P2_1/n |
|
atom x y z |
|
Hg1 0 0 0 |
|
Hg2 0 0 .5 |
|
Cr1 .3864 .1671 .0437 |
|
Cr2 .3897 .1636 .4537 |
|
K1 .1586 .3249 .7485 |
|
K2 .1301 .3489 .2515 |
|
Cl1 .1381 .0219 .2034 |
|
Cl2 .1377 .0187 .7034 |
|
O1 .4041 .116 .249 |
|
O2 -.0046 .255 .494 |
|
O3 .2832 .261 .021 |
|
O4 .3720 .036 .936 |
|
O5 .4958 .248 .507 |
|
O6 .3891 .035 .559 |
|
O7 .2809 .243 .474 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cl2 Cr2 H8 Hg N2 O7 |
| |
Averbuch-Pouchot M, El-Horr N, Guitel J |
 |
Acta Crystallographica C40 (1984) 725-728 |
|
Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), |
|
Hg Cl2 K2 Cr2 O7, and Mercury Dichloride - Diammonium Dichromate |
|
(1/1), Hg Cl2 ((N H4)2 Cr2 O7) |
|
_cod_database_code 1008241 |
|
_database_code_amcsd 0016163 |
|
14.891 7.604 9.620 90 96.02 90 P2_1/a |
|
atom x y z |
|
Hg1 .06039 .11953 .16122 |
|
Cr1 .0256 .3770 .7905 |
|
Cr2 .1220 .3099 .5191 |
|
Cl1 .4042 .3763 .1119 |
|
Cl2 .2163 .1011 .1992 |
|
O1 .0650 .448 .6314 |
|
O2 .4555 .288 .7519 |
|
O3 .1089 .325 .9009 |
|
O4 .0265 .464 .1490 |
|
O5 .0513 .176 .4333 |
|
O6 .1690 .435 .4145 |
|
O7 .1987 .197 .6118 |
|
N1 .3639 .311 .467 |
|
N2 .2926 .102 .877 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu H24 Na3 O22 P3 |
| |
Jouini O, Dabbabi M, Averbuch-Pouchot M, Guitel J, Durif A |
 |
Acta Crystallographica C40 (1984) 728-730 |
|
Structure du Phosphate de Cuivre(II) et de Trisodium Dodecahydrate, |
|
Cu Na3 P3 O10 (H2 O)12 |
|
_cod_database_code 1007135 |
|
_database_code_amcsd 0009992 |
|
15.052 9.234 14.767 90 90.03 90 P2_1/n |
|
atom x y z |
|
Cu1 .17784 .04017 .25279 |
|
P1 .0993 .2760 .3865 |
|
P2 .9849 .1519 .2397 |
|
P3 .0973 .2674 .0932 |
|
Na1 .4376 .2632 .2426 |
|
Na2 .2917 .4671 .8547 |
|
Na3 .3021 .3038 .6111 |
|
O1 .0556 .2097 .4700 |
|
O2 .1723 .1935 .3482 |
|
O3 .1130 .4356 .3948 |
|
O4 .0154 .2708 .3099 |
|
O5 .3873 .3633 .7434 |
|
O6 .0419 .0202 .2520 |
|
O7 .5050 .2726 .6451 |
|
O8 .1065 .4294 .0962 |
|
O9 .1720 .1916 .1418 |
|
O10 .0781 .2090 -.0015 |
|
O11 .1869 .5471 .2450 |
|
O12 .3216 .3676 .3347 |
|
O13 .5143 .1319 .3554 |
|
O14 .3947 .4352 .9760 |
|
O15 .2825 .1027 .5117 |
|
O16 .1757 .2096 .6952 |
|
O17 .5173 .1446 .1240 |
|
O18 .2219 .2362 .8791 |
|
O19 .3255 .3524 .1419 |
|
O20 .3938 .4164 .4999 |
|
O21 .1900 .4863 .5638 |
|
O22 .3443 .0344 .7215 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H2 O4 P Rb |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 665-667 |
|
Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H2 P O4 |
|
_cod_database_code 1007144 |
|
_database_code_amcsd 0010007 |
|
9.606 6.236 7.738 90 109.07 90 P2_1/a |
|
atom x y z |
|
Rb1 .28464 .2383 .26559 |
|
P1 .4823 .2458 .7577 |
|
O1 .4452 .7551 .3979 |
|
O2 .9307 .5839 .0944 |
|
O3 .6751 .8198 .3312 |
|
O4 .0010 .9747 .1618 |
|
H1 .501 .55 .07 |
|
H2 .346 .74 .37 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H24 N4 Na O14 P3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 1553-1555 |
|
Structure of tetraammonium monosodium triphosphate tetrahydrate |
|
_cod_database_code 1007259 |
|
_database_code_amcsd 0015940 |
|
11.813 7.292 20.20 90 105.19 90 C2/c |
|
atom x y z |
|
P1 0 .0763 .75 |
|
P2 .966400 .32500 .63149 |
|
Na1 0 0 0 |
|
N1 .1799 .3916 .2559 |
|
N2 .1994 .4519 .0448 |
|
O1 .4259 .2894 .19256 |
|
O2 .4131 .5295 .27708 |
|
O3 .4174 .2845 .06652 |
|
O4 .3996 -.0062 .13044 |
|
O5 .4042 .1554 .34785 |
|
O6 .3165 .3576 .43842 |
|
O7 .0329 .2112 .09500 |
|
H1 .341 .307 .401 |
|
H2 .251 .407 .418 |
|
H3 .025 .273 .402 |
|
H4 .044 .132 .136 |
|
H5 .163 .421 .299 |
|
H6 .151 .279 .238 |
|
H7 .148 .466 .219 |
|
H8 .259 .395 .264 |
|
H9 .347 .108 .002 |
|
H10 .281 .416 .059 |
|
H11 .305 .062 .464 |
|
H12 .162 .417 .076 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H7 O16 P4 Rb5 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 1555-1556 |
|
Structure of pentarubidium heptahydrogentetrakis(phosphate) |
|
_cod_database_code 1007145 |
|
_database_code_amcsd 0010012 |
|
28.57 10.277 6.090 90 90 90 Pnam |
|
atom x y z |
|
Rb1 .37420 .1766 .75 |
|
Rb2 .42038 .4120 .25 |
|
Rb3 .06097 .2912 .25 |
|
Rb4 .28078 .1424 .25 |
|
Rb5 .19212 .2376 .75 |
|
P1 .2248 .4547 .25 |
|
P2 -.0039 .1908 .75 |
|
P3 .3474 .5170 .75 |
|
P4 .4142 .0131 .25 |
|
O1 .2796 .096 .75 |
|
O2 .1732 .396 .25 |
|
O3 .2480 .401 .044 |
|
O4 .4773 .248 .956 |
|
O5 .9848 .040 .75 |
|
O6 .0501 .186 .75 |
|
O7 .3333 .434 .543 |
|
O8 .1777 .143 .25 |
|
O9 .1010 .025 .25 |
|
O10 .0536 .522 .958 |
|
O11 .1049 .375 .75 |
|
O12 .3792 .118 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs4 H2 O36 P12 Sr3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 1557-1558 |
|
Cs4 Sr3 H2 (P4 O12)3, a new derivative of Al4 (P4 O12)3 |
|
_cod_database_code 1007146 |
|
_database_code_amcsd 0010013 |
|
15.455 15.455 15.455 90 90 90 I-43d |
|
atom x y z |
|
Cs1 .3678 .3678 .3678 |
|
Sr1 .875 0 .25 |
|
P1 .2987 .3810 .1234 |
|
O1 .4194 .0352 .3396 |
|
O2 .4598 .1730 .2723 |
|
O3 .1058 .0863 .4332 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
As H11 N2 O8 S |
| |
Boubia M, Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 1562-1564 |
|
Ordered As O4 and S O4 tetrahedra in diammonium trihydrogenarsenate sulfate |
|
_cod_database_code 1007147 |
|
_database_code_amcsd 0010014 |
|
11.95 7.660 9.658 90 92.40 90 P2_1/c |
|
atom x y z |
|
As1 .17602 .1862 .42489 |
|
S1 .3224 .6841 .5702 |
|
O1 .1672 .0160 .3126 |
|
O2 .3024 .2821 .4000 |
|
O3 .1840 .0992 .5881 |
|
O4 .0664 .3131 .4075 |
|
O5 .3407 .5400 .6713 |
|
O6 .2149 .7686 .5948 |
|
O7 .3189 .6122 .4282 |
|
O8 .4149 .8092 .5863 |
|
N1 .0657 .6667 .3414 |
|
N2 .4554 .1848 .6586 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H8 K4 O16 P4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C41 (1985) 1564-1566 |
|
Structure of tetrapotassium tetrametaphosphate tetrahydrate |
|
_cod_database_code 1007148 |
|
_database_code_amcsd 0010015 |
|
9.061 9.061 10.284 90 90 90 I-4 |
|
atom x y z |
|
K1 .45927 .2444 .13320 |
|
P1 .07129 .21842 -.0005 |
|
O1 .8406 .7240 .1108 |
|
O2 .5367 .8180 .3895 |
|
O3 .9243 .1497 .0625 |
|
O4 .0488 .2078 .3613 |
|
H1 .966 .263 .372 |
|
H2 .106 .235 .285 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H10 Li4 O17 P4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 129-131 |
|
Structure of Tetralithium Tetrametaphosphate Pentahydrate |
|
_cod_database_code 1007152 |
|
_database_code_amcsd 0010023 |
|
17.073 17.029 13.554 90 127.32 90 C2/c |
|
atom x y z |
|
P1 .10931 .21852 .72686 |
|
P2 .10514 .22532 .94042 |
|
P3 .10694 .47358 .22564 |
|
P4 .10625 .47192 .44027 |
|
O1 .3302 .3359 .506 |
|
O2 .1202 .0111 .4616 |
|
O3 .10058 .2491 .1389 |
|
O4 .1691 .1354 .2255 |
|
O5 .0823 -.0047 .190 |
|
O6 .8239 .1498 .7280 |
|
O7 .1187 .2823 .6603 |
|
O8 .1129 .2586 .8361 |
|
O9 .0003 .1824 .6394 |
|
O10 .1020 .2945 .0042 |
|
O11 .1790 .1637 .0161 |
|
O12 .1129 .4083 .1581 |
|
O13 .1801 .5383 .2786 |
|
O14 .9999 .5135 .1396 |
|
O15 .1819 .5347 .5036 |
|
O16 .3915 .0938 .4858 |
|
O17 .8913 .4330 .1662 |
|
Li1 .1898 .3784 .1031 |
|
Li2 .3313 .1227 .3127 |
|
Li3 -.0010 .3306 .4736 |
|
Li4 .2316 .638 .0405 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H10 Li4 O17 P4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 129-131 |
|
Structure of tetralithium tetrametaphosphate pentahydrate. |
|
_cod_database_code 1007159 |
|
_database_code_amcsd 0010024 |
|
17.073 17.029 13.554 90 127.32 90 C2/c |
|
atom x y z |
|
Li1 .1898 .3784 .1031 |
|
Li2 .3113 .1227 .3127 |
|
Li3 -.0010 .3306 .4736 |
|
Li4 .2316 .0638 .0405 |
|
P1 .10931 .21852 .72686 |
|
P2 .10514 .22532 .94042 |
|
P3 .10694 .47358 .22564 |
|
P4 .10625 .47192 .44027 |
|
O1 .3302 .3359 .506 |
|
O2 .1202 .0111 .4616 |
|
O3 .0058 .2491 .1389 |
|
O4 .1691 .1354 .2255 |
|
O5 .0823 -.0047 .190 |
|
O6 .8239 .1498 .7280 |
|
O7 .1187 .2823 .6603 |
|
O8 .1129 .2586 .8361 |
|
O9 .0003 .1824 .6394 |
|
O10 .1020 .2945 .0042 |
|
O11 .1790 .1637 .0161 |
|
O12 .1129 .4083 .1581 |
|
O13 .1801 .5383 .2786 |
|
O14 .9999 .5135 .1396 |
|
O15 .1819 .5347 .5036 |
|
O16 .3915 .0938 .4858 |
|
O17 .8913 .4330 .1662 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs4 H8 O16 P4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 131-133 |
|
Structure of tetracaesium tetrametaphosphate tetrahydrate. |
|
_cod_database_code 1007166 |
|
_database_code_amcsd 0010025 |
|
9.466 9.466 21.933 90 90 90 P4_1 |
|
atom x y z |
|
Cs1 .4821 .1962 0 |
|
Cs2 .4515 .3128 .50468 |
|
Cs3 .0867 .2556 .08807 |
|
Cs4 .2354 .0202 .33618 |
|
P1 .1983 .6275 .4270 |
|
P2 .3510 .9431 .1640 |
|
P3 .4922 .2178 .1793 |
|
P4 .9207 .7679 .4100 |
|
O1 .730 .412 .9845 |
|
O2 .277 .709 .3806 |
|
O3 .493 .865 .1414 |
|
O4 .710 .943 .1971 |
|
O5 .274 .858 .2107 |
|
O6 .280 -.010 .1076 |
|
O7 .926 .413 .4514 |
|
O8 .404 .298 .1359 |
|
O9 .541 .287 .2356 |
|
O10 .839 .035 .1025 |
|
O11 .846 .165 .2065 |
|
O12 .624 .156 .1395 |
|
O13 .525 .834 .3509 |
|
O14 .446 .285 .3524 |
|
O15 .721 .103 .4921 |
|
O16 .734 .982 .9883 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H12 O18 P4 Sr2 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica C42 (1986) 927-928 |
|
Structure of strontium tetrametaphosphate hexahydrate |
|
_cod_database_code 1007150 |
|
_database_code_amcsd 0010029 |
|
6.644 7.365 8.618 101.62 109.98 95.65 P-1 |
|
atom x y z |
|
Sr1 .59881 .25201 .69116 |
|
P1 .2363 .1960 .2387 |
|
P2 .8421 .9056 .1247 |
|
O1 .0216 .8825 .8242 |
|
O2 .7048 .8855 .9265 |
|
O3 .7417 .5965 .7254 |
|
O4 .6422 .8946 .6273 |
|
O5 .0062 .2320 .8588 |
|
O6 .3108 .0872 .7835 |
|
O7 .7340 .5717 .3568 |
|
O8 .7368 .4064 .0279 |
|
O9 .8182 .2533 .4895 |
|
H1 .74 .5 .27 |
|
H2 .75 .52 .43 |
|
H3 .78 .39 .12 |
|
H4 .83 .5 .04 |
|
H5 .03 .73 .47 |
|
H6 .79 .15 .39 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cs4 O18 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 928-930 |
|
Structure of monobarium tetracaesium polyphosphate |
|
_cod_database_code 1007248 |
|
_database_code_amcsd 0015930 |
|
11.549 11.549 9.114 90 90 120 P31c |
|
atom x y z |
|
Ba1 1/3 2/3 .7592 |
|
Cs1 1/3 2/3 .25 |
|
Cs2 .2354 .0069 .5066 |
|
P1 .5503 .0057 .0006 |
|
P2 .3082 .2847 .2510 |
|
O1 .546 .120 .045 |
|
O2 .451 .580 -.024 |
|
O3 .382 .426 .337 |
|
O4 .162 .209 .271 |
|
O5 .392 .221 .267 |
|
O6 .346 .319 .586 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hg K O9 P3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 930-931 |
|
Structure of mercury potassium trimetaphosphate |
|
_cod_database_code 1007151 |
|
_database_code_amcsd 0010030 |
|
11.164 12.46 5.622 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Hg1 .47903 .13628 .09635 |
|
K1 .1164 .0795 .0975 |
|
P1 .4169 .3719 .3821 |
|
P2 .3085 .1862 .5838 |
|
P3 .1574 .3572 .3946 |
|
O1 .2831 .4209 .384 |
|
O2 .4083 .2801 .582 |
|
O3 .5014 .4553 .476 |
|
O4 .4449 .3193 .147 |
|
O5 .1882 .2561 .570 |
|
O6 .3176 .1207 .361 |
|
O7 .3149 .1291 .811 |
|
O8 .1277 .3160 .155 |
|
O9 .0687 .4241 .526 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H8 Hg N2 Na2 O18 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C42 (1986) 932-933 |
|
Structure of diammonium disodium mercury(II) trimetaphosphate |
|
_cod_database_code 1007261 |
|
_database_code_amcsd 0015942 |
|
13.524 8.362 14.390 90 92.58 90 C2/c |
|
atom x y z occ |
|
Hg1 .1617 .1427 .4148 .3333 |
|
Hg2 0 .3545 .25 .3333 |
|
Na1 .1617 .1427 .4148 .6667 |
|
Na2 0 .3545 .25 .6667 |
|
N1 .3489 .1270 .0406 |
|
P1 .0810 .0263 .1183 |
|
P2 .4038 .1878 .3719 |
|
P3 .2720 .3734 .2539 |
|
O1 -.0036 .1446 .3604 |
|
O2 .1371 .0472 .0320 |
|
O3 .4678 .3512 .3802 |
|
O4 .3350 .1856 .4497 |
|
O5 .4728 .0528 .3610 |
|
O6 .3417 .2194 .2758 |
|
O7 .1807 .3600 .3083 |
|
O8 .2629 .3960 .1519 |
|
O9 .3416 .5186 .2944 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba H6 Na O12 P3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C43 (1987) 390-392 |
|
Structure du trimataphosphate de barium - sodium trihydrate |
|
_cod_database_code 1007153 |
|
_database_code_amcsd 0010033 |
|
7.067 9.071 9.906 116.46 95.97 74.03 P-1 |
|
atom x y z |
|
Ba1 .05022 .23647 .19124 |
|
P1 .1428 .68964 .41784 |
|
P2 .1988 .77392 .17849 |
|
P3 .4572 .47217 .19898 |
|
Na1 .7816 .6331 .1316 |
|
O1 .1391 .8208 .3485 |
|
O2 -.0029 .5887 .3368 |
|
O3 .8652 .2174 .4164 |
|
O4 .4043 .6291 .1531 |
|
O5 .0538 .6939 .0694 |
|
O6 .2464 .9238 .1807 |
|
O7 .3653 .5671 .3689 |
|
O8 .3529 .3405 .1017 |
|
O9 .6741 .4278 .2089 |
|
O10 .6502 .9318 .2887 |
|
O11 .7625 .0293 .0773 |
|
O12 .3113 .2802 .4356 |
|
H1 .54 -.012 .321 |
|
H2 .73 .002 .326 |
|
H3 .72 .001 .136 |
|
H4 .347 .916 .959 |
|
H5 .25 .303 .514 |
|
H6 .38 .332 .455 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O13 P4 Pb3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C43 (1987) 631-632 |
|
Structure of lead tetrapolyphosphate. |
|
_cod_database_code 1007160 |
|
_database_code_amcsd 0010036 |
|
7.830 7.347 10.215 104.35 101.81 94.27 P-1 |
|
atom x y z |
|
Pb1 .48156 .2464 .23124 |
|
Pb2 .27124 .3042 .85226 |
|
Pb3 .27198 .7926 .38156 |
|
P1 .3036 .3312 .5099 |
|
P2 .0343 .8614 .6613 |
|
P3 .0410 .3614 .1388 |
|
P4 .3039 .8146 .0295 |
|
O1 .647 .576 .335 |
|
O2 .613 .848 .530 |
|
O3 .322 .466 .421 |
|
O4 .904 .741 .524 |
|
O5 -.007 .936 .313 |
|
O6 .785 .184 .344 |
|
O7 .038 .200 .219 |
|
O8 .984 .539 .215 |
|
O9 .216 .380 .107 |
|
O10 .901 .276 -.003 |
|
O11 .308 -.006 -.018 |
|
O12 .378 .854 .185 |
|
O13 .613 .348 .051 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu H8 K4 O22 P6 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica C43 (1987) 819-821 |
|
Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate. |
|
_cod_database_code 1007164 |
|
_database_code_amcsd 0010037 |
|
8.510 14.303 8.487 90 96.51 90 P2_1/a |
|
atom x y z |
|
Cu1 0 0 .5 |
|
K1 .67548 .40312 .94663 |
|
K2 .50340 .21887 .33325 |
|
P1 .75728 .16541 .00048 |
|
P2 .80958 .17353 .67164 |
|
P3 .56549 .05025 .76721 |
|
O1 .7063 .2359 .1106 |
|
O2 .8880 .1012 .0587 |
|
O3 .7962 .2197 .8435 |
|
O4 .9439 .1072 .6879 |
|
O5 .7986 .2485 .5520 |
|
O6 .3924 .0555 .7295 |
|
O7 .6438 .9576 .7734 |
|
O8 .6442 .1171 .6459 |
|
O9 .6068 .1040 .9326 |
|
O10 .6489 .4053 .4243 |
|
O11 .8339 .0575 .3557 |
|
H1 .702 .426 .361 |
|
H2 .691 .371 .486 |
|
H3 .856 .074 .279 |
|
H4 .733 .022 .332 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H10 K4 O20 P4 Te |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C43 (1987) 1245-1247 |
|
Structure of a new adduct between telluric acid and a condensed |
|
phosphate: K4 P4 O12 * Te (O H)6 * 2 H2 O. |
|
_cod_database_code 1007167 |
|
_database_code_amcsd 0010038 |
|
9.731 11.43 17.16 90 99.45 90 C2/c |
|
atom x y z |
|
Te1 0 0 0 |
|
P1 -.01124 .35775 .13535 |
|
P2 .20354 .43673 .26261 |
|
K1 .5 .4216 .75 |
|
K2 .32913 .12355 .43095 |
|
K3 .5 .2087 .25 |
|
O1 .5959 .3939 .5760 |
|
O2 .3704 .3793 .4605 |
|
O3 .6202 .4588 .4261 |
|
O4 .6217 .1583 .7042 |
|
O5 .3979 .0473 .6726 |
|
O6 .5320 .0923 .5642 |
|
O7 .4169 .2578 .6299 |
|
O8 .3356 .3810 .2997 |
|
O9 .2929 .0520 .2769 |
|
O10 .6289 .2058 .4250 |
|
H1 .522 .331 .601 |
|
H2 .348 .380 .410 |
|
H3 .651 .400 .438 |
|
H4 .731 .171 .433 |
|
H5 .618 .195 .473 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H6 K3 Na3 O24 P6 Te |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C43 (1987) 1653-1655 |
|
Crystal structure of a new adduct between telluric acid and alkali |
|
cyclo-triphosphates: Te (O H)6 * Na3 P3 O9 * K3 P3 O9 |
|
_cod_database_code 1007168 |
|
_database_code_amcsd 0010049 |
|
18.42 10.644 12.348 90 119.76 90 C2/c |
|
atom x y z |
|
Te1 .25 .25 0 |
|
K1 .5 .14423 .25 |
|
K2 .19707 .05296 .24996 |
|
P1 .33257 .33279 .47715 |
|
P2 .48865 .32332 .47711 |
|
P3 .09408 .40606 .52284 |
|
Na1 .09947 .3495 .24998 |
|
Na2 .5 .5510 .25 |
|
O1 .33408 .3676 .1046 |
|
O2 .20158 .2649 .1048 |
|
O3 .31902 .1174 .1049 |
|
O4 .39884 .3845 .4375 |
|
O5 .25159 .3925 .3908 |
|
O6 .13088 .1578 .3858 |
|
O7 .32711 .1871 .4374 |
|
O8 .0435 .1678 .1142 |
|
O9 .51584 .3718 .3906 |
|
O10 .46155 .1783 .4374 |
|
O11 .1265 .4856 .1090 |
|
O12 .04861 .4242 .3860 |
|
H1 .370 .364 .093 |
|
H2 .178 .323 .095 |
|
H3 .293 .067 .087 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd O21 P6 Ta2 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C43 (1987) 1861-1863 |
|
Structure of tantalum cadmium diphosphate, Ta2 Cd (P2 O7)3 |
|
_cod_database_code 1007163 |
|
_database_code_amcsd 0010053 |
|
13.094 8.365 15.796 90 90 90 Pnam |
|
atom x y z |
|
Ta1 .8656 .1621 .9148 |
|
Cd1 .8511 .1750 .25 |
|
P1 .0283 .2051 .4172 |
|
P2 .1962 .4412 .4291 |
|
P3 .9689 .7870 .25 |
|
P4 .2879 .9201 .25 |
|
O1 .5351 .7596 .6518 |
|
O2 .4703 .3367 .0010 |
|
O3 .0994 .0647 .1024 |
|
O4 .4029 .8427 .5467 |
|
O5 .2354 .3994 .3471 |
|
O6 .8368 .3849 .9390 |
|
O7 .7654 .0930 -.0044 |
|
O8 .0376 .7721 .1726 |
|
O9 .4025 .5752 .25 |
|
O10 .5940 .1268 .75 |
|
O11 .7241 .9071 .75 |
|
O12 .2413 .8406 .1713 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca4 H16 K4 O44 P12 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C44 (1988) 212-216 |
|
Crystal structures of two new types of cyclo-tetraphosphates: |
|
tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and |
|
calcium disodium cyclo-tetraphosphate 5.5-hydrate |
|
_cod_database_code 1007178 |
|
_database_code_amcsd 0010061 |
|
20.38 12.683 7.830 90 89.31 90 P2_1/a |
|
atom x y z |
|
Ca1 .12316 .25512 .4940 |
|
Ca2 .08625 .80389 -.0005 |
|
K1 .16263 .23065 .0115 |
|
K2 .33452 .05043 .2650 |
|
P1 .28343 .32829 .3149 |
|
P2 .38260 .49243 .3322 |
|
P3 .13871 .00394 .2994 |
|
P4 .28189 .31449 .6836 |
|
P5 .52083 .11376 .1677 |
|
P6 .51679 .11080 -.2094 |
|
O1 .3185 .2670 .1815 |
|
O2 .2105 .3335 .3141 |
|
O3 .3085 .4487 .3134 |
|
O4 .0715 .9252 .7691 |
|
O5 .1206 .1076 .7002 |
|
O6 .1021 .9678 .4721 |
|
O7 .0995 -.0351 .1545 |
|
O8 .1562 .1170 .3102 |
|
O9 .2927 .4402 .6908 |
|
O10 .3255 .2619 .8076 |
|
O11 .2904 .7983 .3058 |
|
O12 .1911 .7856 .5038 |
|
O13 .4528 .1563 .1619 |
|
O14 .4258 .8306 .7459 |
|
O15 .4790 .0029 .7562 |
|
O16 .4667 .1960 .7904 |
|
O17 .4257 .8810 .3269 |
|
O18 .4526 .9079 .0242 |
|
O19 .2311 .5768 .0405 |
|
O20 .4880 .6839 .5074 |
|
O21 .0291 .1365 -.0131 |
|
O22 .1572 .5517 .3928 |
|
H1 .297 .124 .91 |
|
H2 .241 .545 .12 |
|
H3 .5 .304 .57 |
|
H4 .513 .664 .60 |
|
H5 .464 .582 .97 |
|
H6 .048 .128 .90 |
|
H7 .360 .104 .64 |
|
H8 .140 .493 .38 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca H11 Na2 O17.5 P4 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C44 (1988) 212-216 |
|
Crystal structures of two new types of cyclo-tetraphosphates: |
|
tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and |
|
calcium disodium cyclo-tetraphosphate 5.5-hydrate |
|
_cod_database_code 1007179 |
|
_database_code_amcsd 0010062 |
|
27.88 7.536 7.378 90 90 90 Pma2 |
|
atom x y z |
|
Ca1 0 0 0 |
|
Ca2 .25 .3718 .6183 |
|
P1 .04968 .2925 .3414 |
|
P2 .05558 .6884 .3313 |
|
P3 .19791 .7170 .9129 |
|
P4 .19704 .4374 .1889 |
|
Na1 .3765 .0261 .1048 |
|
Na2 .1320 .4781 .6142 |
|
O1 .4178 .2602 .4954 |
|
O2 .4489 .1711 .1822 |
|
O3 .4449 .4871 .2597 |
|
O4 .0036 .7030 .4242 |
|
O5 .0907 .7105 .4772 |
|
O6 .4422 .8007 .1671 |
|
O7 .1986 .5699 .7773 |
|
O8 .3354 .8656 .8931 |
|
O9 .3369 .3150 .0967 |
|
O10 .1954 .4532 .3878 |
|
O11 .25 .3916 .1212 |
|
O12 .25 .8017 .9331 |
|
O13 .3103 .6357 .1112 |
|
O14 .4162 .4865 .8768 |
|
O15 .1853 .2105 .7521 |
|
O16 .0731 .0095 .8022 |
|
O17 .4995 .2816 .8279 |
|
O18 .1548 -.0123 .3991 |
|
O19 .25 .0926 .4593 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs3 H8 O16 P3 Te |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C44 (1988) 1166-1168 |
|
Structure of a new adduct between telluric acid and a condensed |
|
phosphate: (Cs3 P3 O9) (Te (O H)6 (H2 O)). |
|
_cod_database_code 1008368 |
|
_database_code_amcsd 0016278 |
|
7.279 13.984 17.071 90 90.42 90 P2_1/c |
|
atom x y z |
|
Cs1 .58237 .28393 .23924 |
|
Cs2 .24451 .07367 .93093 |
|
Cs3 .26971 .41182 .04547 |
|
Te1 .22268 .74742 .00313 |
|
P1 .7101 .55387 .34332 |
|
P2 -.0194 .85108 .75326 |
|
P3 .6852 .55245 .17527 |
|
O1 .0095 .2405 .4452 |
|
O2 .8649 .1384 .0457 |
|
O3 .4495 .7509 .9471 |
|
O4 .3078 .6336 .0529 |
|
O5 .3308 .8227 .0847 |
|
O6 .1139 .8271 .4215 |
|
O7 .1835 .3502 .6830 |
|
O8 .4369 .0810 .1024 |
|
O9 .8416 .0205 .8677 |
|
O10 .0999 .0717 .3086 |
|
O11 .8517 .1085 .2106 |
|
O12 -.0118 .7443 .2164 |
|
O13 .3817 .0234 .2383 |
|
O14 .3336 .9676 .3753 |
|
O15 .5958 .8578 .6502 |
|
O16 .2224 .4083 .2348 |
|
H1 .143 .130 .728 |
|
H2 .813 .964 .252 |
|
H3 0 .266 .903 |
|
H4 .13 .857 .902 |
|
H5 .533 .202 .066 |
|
H6 .62 .351 .920 |
|
H7 .28 .855 .091 |
|
H8 .85 .370 .086 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H8 Mo N2 O9 P2 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C44 (1988) 2046-2048 |
|
Structure of an ammonium molybdenyl diphosphate (N H4)2 Mo O2 P2 O7 |
|
_cod_database_code 1008370 |
|
_database_code_amcsd 0016280 |
|
13.984 8.297 15.81 90 99.11 90 C2/c |
|
atom x y z |
|
Mo1 .38558 .12662 .36163 |
|
P1 .37596 .07256 .15739 |
|
P2 .04204 .30821 .42872 |
|
O1 .3834 .0071 .24955 |
|
O2 .2836 .1586 .1272 |
|
O3 .4649 .1671 .1453 |
|
O4 .1270 .4135 .3997 |
|
O5 .0498 .4060 .0837 |
|
O6 .4232 .2277 .47647 |
|
O7 .0355 .1536 .3802 |
|
O8 .2785 .0508 .3806 |
|
O9 .3524 .3035 .3127 |
|
N1 .1385 .1489 .2318 |
|
N2 .3559 .4053 .0209 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H26 N6 O19 P6 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C45 (1989) 539-540 |
|
Structure of ammonium cyclo-hexaphosphate monohydrate |
|
_cod_database_code 1008850 |
|
_database_code_amcsd 0016716 |
|
15.445 15.445 7.553 90 90 120 R-3 |
|
atom x y z |
|
P1 .19978 .05297 .93177 |
|
O1 .20799 .09611 .7529 |
|
O2 .28823 .05384 .0105 |
|
O3 .16345 .10577 .0738 |
|
N1 .13201 .41185 .0784 |
|
H1 .290 .929 .071 |
|
H2 .398 .225 .979 |
|
H3 .148 .424 .186 |
|
H4 .672 .133 .973 |
|
O4 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
|
|   |
|
K6 O18 P6 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C45 (1989) 1273-1275 |
|
Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous |
|
potassium cyclo-hexaphosphate |
|
_cod_database_code 1008428 |
|
_database_code_amcsd 0016335 |
|
15.753 15.753 15.753 90 90 90 Pa3 |
|
atom x y z |
|
K1 0 0 .5 |
|
K2 .5 0 .5 |
|
K3 .73249 .73249 .73249 |
|
K4 .75612 .62017 .94141 |
|
K5 .12827 .12827 .12827 |
|
P1 .57798 .55892 .77471 |
|
P2 .65484 .82806 .95358 |
|
O1 .59398 .5116 .6851 |
|
O2 .5236 .63882 .7443 |
|
O3 .5241 .5033 .8271 |
|
O4 .6587 .5923 .8088 |
|
O5 .5748 .8556 .9129 |
|
O6 .7251 .7959 .9003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H20 Li2 Mn2 O28 P6 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C45 (1989) 1856-1858 |
|
Crystal chemistry of cyclo-hexaphosphates. III. Structure of dilithium |
|
dimanganese cyclo-hexaphosphate decahydrate |
|
_cod_database_code 1008433 |
|
_database_code_amcsd 0016340 |
|
7.286 9.761 10.026 118.31 110.62 86.27 P-1 |
|
atom x y z |
|
Mn1 -.56256 .28899 .19191 |
|
Li1 .1120 .3101 .6684 |
|
P1 .00549 -.15256 .15455 |
|
P2 -.16798 .32446 .10561 |
|
P3 -.09358 -.19103 -.30093 |
|
O1 .1289 .0118 .2211 |
|
O2 -.1376 .2675 -.0623 |
|
O3 -.0275 .1777 -.2937 |
|
O4 .1954 .1636 -.0388 |
|
O5 .0467 .5224 .7719 |
|
O6 -.3857 .3108 .0656 |
|
O7 -.7249 .2834 .3352 |
|
O8 .0238 .2345 -.5634 |
|
O9 -.0854 .1897 .1504 |
|
O10 .6076 .7076 .2379 |
|
O11 .3707 .9771 .5613 |
|
O12 .6919 .4029 .4212 |
|
O13 .6578 .4817 .7596 |
|
O14 -.5398 -.0695 -.1746 |
|
H1 .554 .690 .147 |
|
H2 .617 .798 .304 |
|
H3 .65 .932 .375 |
|
H4 .252 .921 .473 |
|
H5 .698 .495 .496 |
|
H6 .217 .632 .559 |
|
H7 .747 .471 .768 |
|
H8 .394 .573 .246 |
|
H9 .392 -.022 .868 |
|
H10 .438 .937 .746 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd2Na2P6O18.14H2O |
| |
Averbuch-Pouchot M T |
 |
Acta Crystallographica C46 (1990) 10-13 |
|
Crystal chemistry of cyclo-hexaphosphates. V. structure of cadmium |
|
sodium cyclo-hexaphosphate tetradecahydrate |
|
_database_code_amcsd 0010086 |
|
7.709 11.028 9.231 108.25 110.06 79.77 P-1 |
|
atom x y z occ Biso |
|
Na1 0 .5 .5 2.26 |
|
Na -.40959 .39358 -.36685 .5 1.700 |
|
Cd -.40959 .39358 -.36685 .5 1.700 |
|
Cd1 0 0 0 1.272 |
|
P1 -.15104 -.19810 .14057 1.072 |
|
P2 -.04156 .20697 -.46901 1.231 |
|
P3 -.29220 .07088 .23180 1.057 |
|
OE11 .2407 .3167 .8917 1.68 |
|
OE12 .0769 .1831 -.0181 1.48 |
|
OL13 .3007 .0808 .8205 1.31 |
|
OL12 -.0159 .1754 .6959 1.43 |
|
OE21 .1526 .6678 .4698 2.05 |
|
OE22 .1379 .1887 .4980 2.03 |
|
OL23 .8332 .0916 .4148 1.68 |
|
OE31 .1899 .8905 .8565 1.58 |
|
OE32 .5179 .1308 .2210 1.78 |
|
OW1 .6284 .3279 .0486 2.44 |
|
OW2 .5350 .1945 .6327 3.17 |
|
OW3 .2193 .5607 .1080 2.75 |
|
OW4 .6952 .5446 .3075 2.31 |
|
OW5 .7568 .9819 .7602 1.95 |
|
OW6 .4231 .3831 .3631 2.70 |
|
OW7 .9488 .5980 .7600 .5 2.36 |
|
OW8 .0721 .3402 .2854 .5 2.53 |
|
H1W1 .682 .263 .069 3 |
|
H2W1 .540 .319 .010 3 |
|
H1W2 .397 .860 .317 2 |
|
H2W2 .553 .822 .392 3 |
|
H1W3 .775 .514 .950 3 |
|
H2W3 .761 .399 .932 2 |
|
H1W4 .685 .483 .244 2 |
|
H2W4 .287 .400 .723 2.2 |
|
H1W5 .216 .071 .323 2.4 |
|
H2W5 .313 .053 .231 2 |
|
H1W6 .469 .308 .313 3 |
|
H2W6 .327 .374 .342 4 |
|
HW7 .98 .531 .80 .5 3 |
|
HW78 .958 .680 .825 3 |
|
HW8 .91 .717 .677 .5 2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H34 N6 O26 P6 Te |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C46 (1990) 179-181 |
|
Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium |
|
cyclo-hexaphosphate tellurate dihydrate |
|
_cod_database_code 1007187 |
|
_database_code_amcsd 0010093 |
|
9.899 11.042 7.632 109.53 106.74 100.91 P-1 |
|
atom x y z occ |
|
Te1 0 0 0 |
|
P1 .75105 .52787 .27314 |
|
P2 .66720 .75207 .21783 |
|
P3 .65136 .28090 .89719 |
|
O1 .3009 .4534 .5580 |
|
O2 .0876 .4360 .6841 |
|
O3 .6783 .6015 .1395 |
|
O4 .3319 .6274 .8800 |
|
O5 .6601 .7958 .0524 |
|
O6 .2173 .1628 .5797 |
|
O7 .6443 .1437 .8916 |
|
O8 .7623 .3484 .8370 |
|
O9 .4913 .2767 .7623 |
|
O10 .8447 .8448 .7888 |
|
O11 .0828 .8785 .0957 |
|
O12 .1113 -.0082 .8338 |
|
N1 .4756 .3085 .3657 |
|
N2 .0884 .4149 .1799 |
|
N3 .8944 .1655 .5479 |
|
O13 .4013 .9033 .7466 .783 |
|
O14 .4324 .9216 .578 .236 |
|
H1 .171 .152 .322 |
|
H2 .161 .883 .065 |
|
H3 .818 .941 .120 |
|
H4 .425 .279 .225 |
|
H5 .510 .235 .375 |
|
H6 .418 .343 .432 |
|
H7 .457 .618 .592 |
|
H8 .149 .411 .281 |
|
H9 .031 .450 .208 |
|
H10 .141 .476 .153 |
|
H11 .061 .338 .098 |
|
H12 .060 .747 .402 |
|
H13 .899 .143 .652 |
|
H14 .811 .162 .502 |
|
H15 .911 .105 .443 |
|
H16 .480 .982 .806 |
|
H17 .380 .892 .841 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mn2(NH4)4(P6O18)(C2O4).6H2O |
| |
Averbuch-Pouchot M T, Durif A |
 |
Acta Crystallographica C46 (1990) 965-968 |
|
Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium |
|
dimanganese cyclo-hexaphosphate oxalate hexahydrate |
|
_database_code_amcsd 0010138 |
|
9.747 9.751 7.689 99.92 105.88 100.08 P-1 |
|
atom x y z Biso |
|
Mn .84208 .11847 .70887 1.190 |
|
P1 .17081 .40931 .37697 1.09 |
|
P2 .63293 -.21426 .6301 1.19 |
|
P3 .37492 -.35663 .3171 1.20 |
|
OE11 .0394 .4170 .2285 1.68 |
|
OE12 .1536 .3809 .5538 1.83 |
|
OL12 .7575 .7064 .7169 1.48 |
|
OL13 .7060 .4459 .5685 1.73 |
|
OE21 .7029 -.0871 .5761 2.05 |
|
OE22 .5459 -.1985 .7583 2.24 |
|
OL23 .5419 -.3315 .4408 1.52 |
|
OE31 .3591 -.4438 .1318 2.04 |
|
OE32 .3339 -.2169 .3301 2.28 |
|
O1 .0348 .0210 .7936 1.69 |
|
O2 .1451 .9156 .0101 1.84 |
|
Wat1 .9075 .1655 .4750 2.09 |
|
Wat2 -.0020 .6739 .1387 1.92 |
|
Wat3 .5653 .9481 .1881 5.34 |
|
N1 .3020 .2850 .8798 2.36 |
|
N2 .7216 .2989 .1666 2.71 |
|
C .9476 .0192 .0564 1.27 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H28 Mn2 N4 O28 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C46 (1990) 965-968 |
|
Crystal chemistry of cyclo-hexaphosphates. IX.Structure of |
|
tetraammonium dimanganese cyclohexaphosphate oxalate hexahydrate |
|
_cod_database_code 1007191 |
|
_database_code_amcsd 0010139 |
|
9.747 9.751 7.689 99.92 105.88 100.08 P-1 |
|
atom x y z |
|
Mn1 .84208 .11847 .70887 |
|
P1 .17081 .40931 .37697 |
|
P2 .63293 -.2142 .6301 |
|
P3 .37492 -.3566 .3171 |
|
O1 .0394 .4170 .2285 |
|
O2 .1536 .3809 .5538 |
|
O3 .7575 .7064 .7169 |
|
O4 .7060 .4459 .5685 |
|
O5 .7029 -.0871 .5761 |
|
O6 .5459 -.1985 .7583 |
|
O7 .5419 -.3315 .4408 |
|
O8 .3591 -.4438 .1318 |
|
O9 .3339 -.2169 .3301 |
|
O10 .0348 .0210 .7936 |
|
O11 .1451 .9156 .0101 |
|
O12 .9075 .1655 .4750 |
|
O13 -.0020 .6739 .1387 |
|
O14 .5653 .9481 .1881 |
|
N1 .3020 .2850 .8798 |
|
N2 .7216 .2989 .1666 |
|
C1 .9476 .0192 .0564 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca2Li2P6O18.8H2O |
| |
Averbuch-Pouchot M T, Durif A |
 |
Acta Crystallographica C46 (1990) 968-970 |
|
Crystal chemistry of cyclo-hexaphosphates. X. structure of dicalcium |
|
dilithium cyclo-hexaphosphate octahydrate |
|
_database_code_amcsd 0010140 |
|
7.767 10.144 7.225 105.17 102.76 84.95 P-1 |
|
atom x y z Biso |
|
Ca .19038 .24157 .82356 .917 |
|
Li1 .5 .5 0 2.3 |
|
Li2 0 0 0 2.2 |
|
P1 .79668 .47973 .75598 .925 |
|
P2 .53968 .27179 .59329 .935 |
|
P3 .19655 .25937 .32919 .919 |
|
OE11 .7039 .5607 .9110 1.21 |
|
OE12 .9500 .3905 .8071 2.00 |
|
OL12 .6550 .3918 .5794 1.24 |
|
OL13 .1489 .4205 .3593 1.43 |
|
OE21 .4453 .3260 .7572 1.36 |
|
OE22 .6468 .1434 .5855 1.74 |
|
OL23 .4082 .2561 .3850 1.42 |
|
OE31 .1456 .1883 .1183 1.27 |
|
OE32 .1234 .2134 .4743 1.37 |
|
Wat1 .6183 -.0415 .2172 1.90 |
|
Wat2 .0203 .9436 .2759 1.50 |
|
Wat3 .2784 .6130 .8194 2.78 |
|
Wat4 .2539 .8918 .9822 2.16 |
|
H1W1 .376 -.006 .666 2.9 |
|
H2W1 .354 -.007 .839 2.5 |
|
H1W2 .032 .027 .353 2.9 |
|
H2W2 .115 .909 .303 2.9 |
|
H1W3 .290 .596 .711 2.3 |
|
H2W3 .203 .578 .805 5 |
|
H1W4 .259 .807 .929 2.9 |
|
H2W4 .322 .914 .085 4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca2 H16 Li2 O26 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C46 (1990) 968-970 |
|
Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium |
|
dilithium cyclo-hexaphosphate octahydrate |
|
_cod_database_code 1007192 |
|
_database_code_amcsd 0010141 |
|
7.767 10.144 7.225 105.17 102.76 84.95 P-1 |
|
atom x y z |
|
Ca1 .19038 .24157 .82356 |
|
Li1 .5 .5 0 |
|
Li2 0 0 0 |
|
P1 .79668 .47973 .75598 |
|
P2 .53968 .27279 .59329 |
|
P3 .19655 .25937 .32919 |
|
O1 .7039 .5607 .9110 |
|
O2 .9500 .3905 .8071 |
|
O3 .6550 .3918 .5794 |
|
O4 .1489 .4205 .3593 |
|
O5 .4453 .3260 .7572 |
|
O6 .6468 .1434 .5855 |
|
O7 .4082 .2561 .3850 |
|
O8 .1456 .1883 .1183 |
|
O9 .1234 .2134 .4743 |
|
O10 .6183 -.0415 .2172 |
|
O11 .0203 .9436 .2759 |
|
O12 .2784 .6130 .8194 |
|
O13 .2539 .8918 .9822 |
|
H1 .376 -.006 .666 |
|
H2 .354 -.007 .839 |
|
H3 .032 .027 .353 |
|
H4 .115 .909 .303 |
|
H5 .290 .596 .711 |
|
H6 .203 .578 .805 |
|
H7 .259 .807 .929 |
|
H8 .322 .914 .085 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca2(NH4)2P6O18.6H2O |
| |
Averbuch-Pouchot M T |
 |
Acta Crystallographica C46 (1990) 2005-2007 |
|
Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium |
|
cyclo-hexaphosphate hexahydrate |
|
_database_code_amcsd 0010197 |
|
12.821 12.537 7.029 90 90 90 P2_12_12_1 |
|
atom x y z Biso |
|
Ca .17488 .24882 .1593 .97 |
|
P1 .15055 .15864 .6741 1.01 |
|
P2 .82400 .01642 .9398 1.01 |
|
P3 .95109 .20767 .8658 .99 |
|
N1 0 0 .354 2.6 |
|
N2 .5 0 -.012 3.5 |
|
OE11 .8259 .8364 .4684 1.67 |
|
OE12 .7925 .7731 .8109 1.47 |
|
OL12 .1599 .0363 .7345 1.72 |
|
OL13 .5271 .3244 .3062 1.61 |
|
O221 .1606 .0647 .0910 1.48 |
|
O222 .2269 .4205 .0618 1.80 |
|
OL23 .9232 .0935 .9527 1.65 |
|
O231 .8564 .2555 .7788 1.47 |
|
O232 .0097 .2670 .0117 1.55 |
|
Wat1 .4374 .8673 .6504 2.60 |
|
Wat2 .3906 .2859 .6161 4.6 |
|
Wat3 .8551 .5199 .6632 6.0 |
|
H1N1 .543 .467 .69 5 |
|
H2N1 .537 .578 .60 3 |
|
H1N2 .939 .481 .95 4 |
|
H2N2 .002 .446 .06 4 |
|
H1W1 .563 .099 .53 4 |
|
H2W1 .530 .188 .65 4 |
|
H1W2 .156 .773 .30 4 |
|
H2W2 .872 .226 .52 4 |
|
H1W3 .627 .062 .40 5 |
|
H2W3 .311 .934 .24 5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
(NH3OH)6P6O18.4H2O |
| |
Durif A, Averbuch-Pouchot M T |
 |
Acta Crystallographica C46 (1990) 2026-2028 |
|
Crystal chemistry of cyclo-hexaphosphates. VIII. structure of hydroxylammonium |
|
cyclo-hexaphosphate tetrahydrate |
|
_database_code_amcsd 0010206 |
|
10.365 9.278 7.280 108.39 100.30 96.02 P-1 |
|
atom x y z Biso |
|
P1 .28199 .49585 .39028 1.103 |
|
P2 .40646 .76239 .73136 .995 |
|
P3 .30424 .17000 .22317 1.004 |
|
OL12 .39626 .58996 .5839 1.63 |
|
OL13 .29873 .32754 .3920 1.40 |
|
OE11 .15037 .5286 .4293 1.72 |
|
OE12 .31926 .5197 .2119 1.78 |
|
OE21 .37873 .86386 .6122 1.60 |
|
OE22 .66977 .2377 .1145 1.78 |
|
OL23 .55982 .79580 .8421 1.28 |
|
OE31 .31287 .05327 .3234 1.62 |
|
OE32 .19463 .1420 .0484 1.78 |
|
N1 .5208 .1704 .7353 1.65 |
|
O1 .5450 .7016 .2345 2.25 |
|
N2 .0896 .8220 .4192 1.77 |
|
O2 .1267 .8206 .2420 2.45 |
|
N3 .9068 .4123 .1395 1.73 |
|
O3 .8804 .5498 .1089 2.63 |
|
Wat1 .1757 .1324 .6666 2.06 |
|
Wat2 .9599 .1501 .2108 2.45 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H32 N6 O28 P6 |
| |
Durif A, Averbuch-Pouchot M |
 |
Acta Crystallographica C46 (1990) 2026-2028 |
|
Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of |
|
Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate |
|
_cod_database_code 1007190 |
|
_database_code_amcsd 0010207 |
|
10.365 9.278 7.280 108.39 100.30 96.02 P-1 |
|
atom x y z |
|
P1 .28199 .49585 .39028 |
|
P2 .40646 .76239 .73136 |
|
P3 .30424 .17000 .22317 |
|
O1 .39626 .58996 .5839 |
|
O2 .29873 .32754 .3920 |
|
O3 .15037 .5286 .4293 |
|
O4 .31926 .5197 .2119 |
|
O5 .37873 .86386 .6122 |
|
O6 .66977 .2377 .1145 |
|
O7 .55982 .79580 .8421 |
|
O8 .31287 .05327 .3234 |
|
O9 .19463 .1420 .0484 |
|
N1 .5208 .1704 .7353 |
|
O10 .5450 .7016 .2345 |
|
N2 .0896 .8220 .4192 |
|
O11 .1267 .8206 .2420 |
|
N3 .9068 .4123 .1395 |
|
O12 .8804 .5498 .1089 |
|
O13 .1757 .1324 .6666 |
|
O14 .9599 .1501 .2108 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag3 H14 N3 O19 P6 |
| |
Averbuch-Pouchot M |
 |
Acta Crystallographica C47 (1991) 930-932 |
|
Crystal chemistry of cyclo-hexaphosphates. XIV. Structure of silver |
|
ammonium cyclo-hexaphosphate monohydrate |
|
_cod_database_code 1008854 |
|
_database_code_amcsd 0016720 |
|
15.172 15.172 13.994 90 90 120 R-3 |
|
atom x y z |
|
Ag1 .75100 .04512 .23827 |
|
N1 .2841 .4387 .4076 |
|
P1 .13372 .50939 .19984 |
|
P2 .27890 .46408 .69981 |
|
O1 .2130 .5082 .1242 |
|
O2 .5417 .5740 .1538 |
|
O3 .6593 .5180 .9612 |
|
O4 .9430 .1059 .9578 |
|
O5 .9566 .5725 .3234 |
|
O6 .8875 .1037 .1280 |
|
O7 0 0 .75 |
|
H1 .921 .805 .702 |
|
H2 .678 .515 .554 |
|
H3 .382 .161 .562 |
|
H4 .974 .734 .707 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H20 N4 Na2 O20 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 932-936 |
|
Crystal chemistry of cyclo-hexaphosphates. XV. Structures of sodium ammonium |
|
cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-hexaphosphate |
|
hexahydrate |
|
_cod_database_code 1007193 |
|
_database_code_amcsd 0010250 |
|
13.363 11.580 6.809 90 101.87 90 P2_1/n |
|
atom x y z |
|
P1 .34893 .46059 .17916 |
|
P2 .64252 .33170 .04981 |
|
P3 .48112 .25573 .25302 |
|
Na1 .21742 .20204 .07810 |
|
N1 .3615 .3627 .6722 |
|
N2 .4228 .9419 .2449 |
|
O1 .19563 .01024 .1591 |
|
O2 .21796 .89388 .4819 |
|
O3 .40730 .55918 .0805 |
|
O4 .05342 .88645 .2186 |
|
O5 .30563 .74226 .0757 |
|
O6 .30041 .6299 .7528 |
|
O7 .03826 .23126 .5683 |
|
O8 .44628 .7746 .5604 |
|
O9 .39182 .18145 .1808 |
|
O10 .3760 -.0035 .7902 |
|
H1 .338 .365 .807 |
|
H2 .428 .343 .685 |
|
H3 .319 .313 .593 |
|
H4 .154 .924 .898 |
|
H5 .069 .399 .139 |
|
H6 .479 .953 .225 |
|
H7 .113 .501 .237 |
|
H8 .384 .897 .175 |
|
H9 .178 .553 .718 |
|
H10 .157 .452 .812 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H12 Na4 O24 P6 Rb2 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 932-936 |
|
Crystal chemistry of cyclo-hexaphosphates. XV. Structures of sodium ammonium |
|
cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-hexaphosphate |
|
hexahydrate |
|
_cod_database_code 1007194 |
|
_database_code_amcsd 0010251 |
|
7.532 9.752 8.730 113.92 102.29 85.00 P-1 |
|
atom x y z |
|
Rb1 .24345 .37992 .84913 |
|
P1 .0750 .24108 .13752 |
|
P2 .7412 .88303 .61883 |
|
P3 .2429 .80028 .12834 |
|
Na1 .5352 .2863 .2214 |
|
Na2 .1511 .8597 .5250 |
|
O1 .7600 .7884 .9380 |
|
O2 -.0182 .6013 .7729 |
|
O3 .0860 .1553 .2615 |
|
O4 .0911 .8521 .0036 |
|
O5 .3316 .9614 .2529 |
|
O6 .8168 .9068 .4883 |
|
O7 .5937 .7737 .5698 |
|
O8 .1556 .7386 .2239 |
|
O9 .6150 .2883 .9660 |
|
O10 .3327 .9537 .8047 |
|
O11 .5511 .4669 .7129 |
|
O12 .1936 .6218 .5519 |
|
H1 .31 .017 .886 |
|
H2 .41 .017 .81 |
|
H3 .490 .604 .370 |
|
H4 .37 .609 .286 |
|
H5 .188 .545 .453 |
|
H6 .14 .586 .616 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 H24 N2 O26 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 1148-1150 |
|
Crystal chemistry of cyclo-hexaphosphates. XI. Structure of |
|
ammoniumcopper cyclo-hexaphosphate octahydrate |
|
_cod_database_code 1007195 |
|
_database_code_amcsd 0010257 |
|
7.413 9.334 9.634 116.23 107.98 83.1 P-1 |
|
atom x y z |
|
Cu1 0 0 0 |
|
Cu2 .5 .5 0 |
|
P1 .0588 .77460 .35030 |
|
P2 .8224 .21588 .32442 |
|
P3 .7343 .87383 .14231 |
|
O1 .2049 .8862 .3759 |
|
O2 .0759 .6025 .2460 |
|
O3 .0376 .7988 .5193 |
|
O4 .8497 .8310 .2887 |
|
O5 .6970 .3542 .3761 |
|
O6 .9401 .2067 .2222 |
|
O7 .6903 .0580 .2378 |
|
O8 .5514 .7850 .0642 |
|
O9 .8603 .8550 .0410 |
|
O10 .2383 .9628 .1396 |
|
O11 .2379 .5575 .0067 |
|
O12 .5729 .5419 .2250 |
|
O13 .4102 .1856 .5242 |
|
N1 .2936 .3481 .3092 |
|
H1 .314 .888 .089 |
|
H2 .226 .923 .195 |
|
H3 .847 .486 .063 |
|
H4 .206 .567 .088 |
|
H5 .587 .637 .293 |
|
H6 .605 .477 .249 |
|
H7 .338 .105 .493 |
|
H8 .507 .847 .458 |
|
H9 .254 .448 .345 |
|
H10 .293 .290 .373 |
|
H11 .379 .348 .284 |
|
H12 .21 .314 .221 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag4 H4 Li2 O20 P6 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 1150-1152 |
|
Crystal chemistry of cyclo-hexaphosphates. XIII. Structure of silver |
|
lithium cyclo-hexaphosphate dihydrate |
|
_cod_database_code 1007196 |
|
_database_code_amcsd 0010258 |
|
8.408 7.602 7.566 107.47 106.09 72.64 P-1 |
|
atom x y z |
|
Ag1 .59886 .43519 .33443 |
|
Ag2 .01486 .69332 .41424 |
|
Li1 .6644 .7130 .0867 |
|
P1 .73148 .7614 .7368 |
|
P2 .90706 .2881 .0999 |
|
P3 .67323 .1752 .7404 |
|
O1 .6047 .7386 .8246 |
|
O2 .7840 .6154 .5682 |
|
O3 .6706 .9572 .6772 |
|
O4 .8943 .7851 .9016 |
|
O5 .6933 .2200 .5714 |
|
O6 .5288 .2910 .8304 |
|
O7 .8483 .1725 .8900 |
|
O8 .8672 .2125 .2382 |
|
O9 .8513 .4952 .1152 |
|
O10 .2201 .0899 .7261 |
|
H1 .196 .020 .77 |
|
H2 .710 .982 .31 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 H42 O39 P6 |
| |
Bagieu-Bacher M, Averbuch-Pouchot M, Rzaigui M |
 |
Acta Crystallographica C47 (1991) 1364-1366 |
|
Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium |
|
cyclo-hexaphosphate henicosahydrate |
|
_cod_database_code 1008496 |
|
_database_code_amcsd 0016389 |
|
19.052 19.052 19.052 90 90 90 P-43n |
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atom x y z occ |
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Cr1 0 0 0 |
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Cr2 0 .5 .5 |
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Cr3 .19291 .19291 .19291 |
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P1 .81004 .26868 .06546 |
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P2 .44922 .37318 .25257 |
|
O1 .2916 .3845 .1750 |
|
O2 .2116 .3185 .5084 |
|
O3 .4263 .2925 .2539 |
|
O4 .2729 .3780 .4105 |
|
O5 -.0004 .1906 .1106 |
|
O6 .6786 .1124 .0307 |
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O7 .8976 0 0 .366 |
|
O8 .084 .028 .049 .163 |
|
O9 .054 .088 -.032 .154 |
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O10 .3960 0 0 |
|
O11 .3976 0 .5 |
|
O12 .1045 .5 0 |
|
O13 .7268 .3666 .3830 |
|
O14 .2499 .1596 .2724 |
|
O15 .1925 .0815 .3745 |
|
O16 .1768 .4123 .0776 |
|
O17 .8342 .1108 .4521 |
|
H1 .485 .457 .129 |
|
H2 .959 .473 .132 |
|
H3 .125 .482 .132 |
|
H4 .613 .286 .410 |
|
H5 .234 .080 .144 |
|
H6 .806 .363 .271 |
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H7 .784 .224 .346 |
|
H8 .664 .141 .457 |
|
H9 .395 .163 .108 |
|
H10 .683 .475 .110 |
|
H11 .721 .413 .081 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H12 N3 O6 P3 S3 |
| |
Meisel M, Wolf G, Averbuch-Pouchot M |
 |
Acta Crystallographica C47 (1991) 1368-1370 |
|
Structure of ammonium trithio-cyclo-triphosphate |
|
_cod_database_code 1008497 |
|
_database_code_amcsd 0016390 |
|
12.450 12.755 8.154 90 90 90 Pnma |
|
atom x y z |
|
P1 .88066 .13484 .1602 |
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P2 .0267 .25 -.0660 |
|
S1 .92977 .03778 .3279 |
|
S2 .1772 .25 -.0104 |
|
O1 .8770 .25 .2415 |
|
O2 .7783 .1118 .0736 |
|
O3 .9722 .1514 .0240 |
|
O4 .9882 .25 .7633 |
|
N1 .4060 .75 .9680 |
|
N2 .3198 .4308 .7753 |
|
H1 .433 .75 .08 |
|
H2 .142 .25 .46 |
|
H3 .075 .196 .422 |
|
H4 .300 .436 .685 |
|
H5 .228 .620 .349 |
|
H6 .123 .914 .278 |
|
H7 .296 .5 .822 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H26 O40 P6 Rb6 Te3 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 1576-1579 |
|
Crystal chemistry of cyclo-hexaphosphates. XVI. Structures of potassium |
|
cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- |
|
hexaphosphate tritellurate tetrahydrate |
|
_cod_database_code 1007197 |
|
_database_code_amcsd 0010260 |
|
11.222 8.077 11.731 111.11 104.66 83.25 P-1 |
|
atom x y z |
|
Te1 0 0 0 |
|
Te2 0 0 .5 |
|
Te3 .5 .5 .5 |
|
Rb1 .09874 .50476 .20369 |
|
Rb2 .28192 .78401 .80670 |
|
Rb3 .30979 .01054 .39746 |
|
P1 .4291 .1608 .7742 |
|
P2 .2224 .3856 .8636 |
|
P3 .3651 .6012 .1024 |
|
O1 .0845 .7741 .9694 |
|
O2 .0686 .0342 .8756 |
|
O3 .1327 .1155 .1344 |
|
O4 .1051 .1872 .5280 |
|
O5 .1372 .8785 .5731 |
|
O6 .0421 .8856 .3403 |
|
O7 .4494 .7423 .5216 |
|
O8 .3717 .4266 .3524 |
|
O9 .3846 .4904 .5929 |
|
O10 .4619 .9720 .7622 |
|
O11 .4173 .2101 .6611 |
|
O12 .3082 .2087 .8288 |
|
O13 .4747 .7158 .1087 |
|
O14 .3193 .5362 .9513 |
|
O15 .1667 .4311 .7489 |
|
O16 .1428 .3579 .9380 |
|
O17 .2692 .7215 .1599 |
|
O18 .4123 .4468 .1421 |
|
O19 .3442 .0833 .0578 |
|
O20 .1329 .5120 .4702 |
|
H1 .144 .76 .051 |
|
H2 .083 .13 .895 |
|
H3 .192 .11 .111 |
|
H4 .128 .27 .620 |
|
H5 .13 .77 .52 |
|
H6 .001 .09 .725 |
|
H7 .455 .78 .571 |
|
H8 .382 .44 .276 |
|
H9 .404 .37 .618 |
|
H10 .390 .08 .129 |
|
H11 .36 .20 .05 |
|
H12 .100 .42 .468 |
|
H13 .195 .5 .480 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H18 K6 O33 P6 Te2 |
| |
Averbuch-Pouchot M, Durif A |
 |
Acta Crystallographica C47 (1991) 1576-1579 |
|
Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium |
|
cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- |
|
hexaphosphate tritellurate tetrahydrate |
|
_cod_database_code 1007249 |
|
_database_code_amcsd 0015931 |
|
13.084 13.084 34.799990000 90 90 120 R-3c |
|
atom x y z |
|
Te1 0 0 .13939 |
|
K1 .43031 0 .25 |
|
K2 .5 0 .5 |
|
P1 .47833 .37028 .84847 |
|
O1 .1320 .0377 .32827 |
|
O2 .1362 .0984 .10866 |
|
O3 .2491 .3228 .16494 |
|
O4 .4656 .3470 .27905 |
|
O5 .4771 .1971 .31754 |
|
O6 .2153 0 .25 |
|
H1 .097 .189 .164 |
|
H2 .762 .479 .247 |
|
|
| 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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