|
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
|
|   |
|
Ag3 H2 O10 P3 |
| |
Bagieu-Beucher M, Durif A, Guitel J |
 |
Acta Crystallographica B31 (1975) 2264-2267 |
|
Structure cristalline du trimetaphosphate d'argent monohydrate, Ag3P3O9H2O |
|
_cod_database_code 1007026 |
|
_database_code_amcsd 0009541 |
|
7.800 7.796 9.276 115.15 115.15 88.93 P-1 |
|
atom x y z |
|
Ag1 .3461 .0051 .0649 |
|
Ag2 .0051 .3463 .0650 |
|
Ag3 .8183 .1817 .5 |
|
P1 .7122 .4463 .2754 |
|
P2 .4464 .7119 .2755 |
|
P3 .7947 .7950 .5983 |
|
O1 .5024 .5023 .2086 |
|
O2 .7985 .5749 .4916 |
|
O3 .5719 .7978 .4916 |
|
O4 .8297 .5153 .2129 |
|
O5 .6851 .2397 .2368 |
|
O6 .5149 .8301 .2118 |
|
O7 .2394 .6839 .2362 |
|
O8 .8350 .8347 .7819 |
|
O9 .9159 .9161 .5754 |
|
O10 .8145 .8148 .0925 |
|
|
| 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
|
|   |
|
Sr3(P3O9)2(H2O) |
| |
Tordjman I, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 205-208 |
|
Structure cristalline du trimetaphosphate de strontium heptahydrate |
|
Sr3(P3O9)2(H2O) |
|
_cod_database_code 1007000 |
|
_database_code_amcsd 0009549 |
|
16.05 12.33 10.87 90. 90. 90. Pnma |
|
atom x y z |
|
Sr1 .10283 .25 .11589 |
|
Sr2 .33160 .25 -.00255 |
|
Sr3 .50341 .75 .25188 |
|
P1 .28839 .50401 .47626 |
|
P2 .12791 .49174 .34669 |
|
P3 .13707 .47083 .61139 |
|
O1 .22833 .48032 .36029 |
|
O2 .09812 .44314 .47745 |
|
O3 .23319 .44623 .58495 |
|
O4 .36425 .44167 .45835 |
|
O5 .29244 .62123 .49907 |
|
O6 .09913 .41854 .24921 |
|
O7 .10522 .60765 .34322 |
|
O8 .10769 .38986 .70005 |
|
O9 .12508 .5868 .63498 |
|
O10 .47892 .62443 .44941 |
|
O11 .45286 .25 .29950 |
|
O12 -.00142 .25 .50055 |
|
O13 .25168 .25 .23005 |
|
O14 .25168 .75 .27945 |
|
O15 .13004 .75 .10597 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 O9 P3 |
| |
Bagieu-Beucher M, Tordjman I, Durif A, Guitel J |
 |
Acta Crystallographica B32 (1976) 1427-1430 |
|
Structure cristalline du trimetaphosphate de potassium K3 P3 O9 |
|
_cod_database_code 1007002 |
|
_database_code_amcsd 0009556 |
|
11.074 11.965 7.350 90 102.18 90 P2_1/n |
|
atom x y z |
|
K1 .4002 .7569 .0972 |
|
K2 .3783 .4183 .1469 |
|
K3 .0806 .6418 .1586 |
|
P1 .1641 .5547 .7715 |
|
P2 .3463 .4293 .6270 |
|
P3 .3246 .6719 .5757 |
|
O1 .2109 .4449 .6762 |
|
O2 .1924 .6523 .6337 |
|
O3 .3573 .5460 .5206 |
|
O4 .2415 .5717 .9582 |
|
O5 .0280 .5482 .7499 |
|
O6 .3357 .3400 .4869 |
|
O7 .4425 .4225 .8006 |
|
O8 .2978 .7388 .404 |
|
O9 .4188 .7103 .7388 |
|
|
| 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
|
|   |
|
Ba3 H12 O24 P6 |
| |
Masse R, Guitel J, Durif A |
 |
Acta Crystallographica B32 (1976) 1892-1894 |
|
Trimetaphosphate de baryum hexahydrate |
|
_cod_database_code 1007006 |
|
_database_code_amcsd 0009565 |
|
7.547 11.975 13.068 108.58 100.35 95.54 P-1 |
|
atom x y z |
|
Ba1 -.00342 .17132 .25678 |
|
Ba2 .42428 .97865 .30722 |
|
Ba3 .75844 .38922 .01922 |
|
P1 .1803 .2951 .0359 |
|
P2 .3771 .1142 -.0739 |
|
P3 .4825 .2287 .1621 |
|
P4 .7935 .1811 .5170 |
|
P5 .0778 .1235 .6603 |
|
P6 .9209 .3352 .7452 |
|
O1 .4150 .1124 .0504 |
|
O2 .3721 .3247 .1230 |
|
O3 .2215 .1964 -.0695 |
|
O4 .0854 .2597 .7373 |
|
O5 .8357 .3087 .6158 |
|
O6 -.0197 .1302 .5426 |
|
O7 .1464 .4016 .0066 |
|
O8 .0312 .2385 .0731 |
|
O9 .2987 -.0078 -.1510 |
|
O10 .5409 .1764 -.0933 |
|
O11 .6790 .2746 .1777 |
|
O12 .4057 .1979 .2476 |
|
O13 .6379 .1061 .5294 |
|
O14 .7817 .2012 .4103 |
|
O15 .9554 .0404 .6904 |
|
O16 .2681 .1071 .6549 |
|
O17 -.0003 .4634 .7919 |
|
O18 .7858 .2845 .7951 |
|
O19 .1405 .9823 .1149 |
|
O20 .2798 .1885 .4424 |
|
O21 .4415 .4256 .8679 |
|
O22 .0935 .4161 .3512 |
|
O23 .2760 .5593 .5649 |
|
O24 .4751 .4114 .6425 |
|
|
| 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
|
|   |
|
H4 N O12 P4 Pr |
| |
Masse R, Guitel J, Durif A |
 |
Acta Crystallographica B33 (1977) 630-632 |
|
Structure cristalline du tetrametaphosphate de praseodyme-ammonium, |
|
PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 |
|
_cod_database_code 1007010 |
|
_database_code_amcsd 0009583 |
|
7.916 12.647 10.672 90 110.34 90 C2/c |
|
atom x y z |
|
Pr1 0 .12086 .25 |
|
P1 .4617 .1690 .5024 |
|
P2 .2855 .9790 .5611 |
|
O1 .4058 .8756 .5681 |
|
O2 .4312 .0722 .5885 |
|
O3 .2933 .1986 .3907 |
|
O4 .5610 .2523 .5983 |
|
O5 .2238 .9727 .6763 |
|
O6 .1518 -.0100 .4244 |
|
N1 0 .8189 .25 |
|
|
| 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
|
|   |
|
Fe H4 O11 P3 |
| |
Averbuch M, Guitel J |
 |
Acta Crystallographica B33 (1977) 1613-1615 |
|
Un tripolyphosphate acide de fer Fe H2 P3 O10 . H2 O |
|
_cod_database_code 1008013 |
|
_database_code_amcsd 0015961 |
|
12.076 8.443 9.352 90 112.10 90 C2/c |
|
atom x y z |
|
Fe1 .25 .25 0 |
|
P1 .2905 .5667 .2060 |
|
P2 .5 .3753 .25 |
|
O1 .4182 .4875 .3034 |
|
O2 .2120 .4425 .0973 |
|
O3 .3205 .7042 .1241 |
|
O4 .2411 .6144 .3240 |
|
O5 .4265 .2827 .1103 |
|
O6 0 .443 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Ba H8 O13 P3 |
| |
Seethanen D, Durif A, Guitel J |
 |
Acta Crystallographica B33 (1977) 2716-2719 |
|
Structure cristalline du trimetaphosphate de baryum-argent |
|
tetrahydrate. Ba Ag P3 O9 (H2 O)4 |
|
_cod_database_code 1007014 |
|
_database_code_amcsd 0009600 |
|
21.35 7.163 18.35 90 121.72 90 C2/c |
|
atom x y z |
|
Ba1 .44034 .32198 .06074 |
|
Ag1 .27764 .42764 .07760 |
|
P1 .13641 .33347 .40286 |
|
P2 .40221 .09610 .23051 |
|
P3 .25112 .48298 .37716 |
|
O1 .08448 .40733 .30636 |
|
O2 .21532 .33641 .41028 |
|
O3 .31905 .06412 .20774 |
|
O4 .11968 .13528 .40662 |
|
O5 .13696 .46828 .46386 |
|
O6 .45094 .09215 .32484 |
|
O7 .40318 .25914 .18150 |
|
O8 .29538 .37996 .34926 |
|
O9 .21217 .13314 .05735 |
|
O10 .24521 .49992 .17995 |
|
O11 .44185 .32817 .47263 |
|
O12 .10019 .34198 .09741 |
|
O13 .05529 .04155 .18196 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
As4 Ba H6 O14 |
| |
Blum D, Durif A, Guitel J |
 |
Acta Crystallographica B33 (1977) 3222-3224 |
|
Un arseniate acide de baryum Ba H6 As4 O14 . Un nouveau type |
|
d'anion cyclique: As4 O14 |
|
_cod_database_code 1007016 |
|
_database_code_amcsd 0009611 |
|
8.496 11.249 5.858 90 90 90 Pman |
|
atom x y z |
|
Ba1 .5 0 0 |
|
As1 .16606 0 .5 |
|
As2 0 .19030 .7843 |
|
O1 .1656 .1038 .7532 |
|
O2 0 .3175 .6419 |
|
O3 0 .2398 .0591 |
|
O4 0 .0849 .3822 |
|
O5 .1968 .4135 .3457 |
|
|
| 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
|
|   |
|
H16 Na2 Ni O20 P4 |
| |
Boudjada A, Durif A, Guitel J |
 |
Acta Crystallographica B34 (1978) 17-20 |
|
Structure cristalline d'un monophosphate acide mixte de nickel-sodium |
|
tetrahydrate Na2 Ni H8 (P O4)4 (H2 O)4 |
|
_cod_database_code 1007019 |
|
_database_code_amcsd 0009622 |
|
11.10 10.71 7.224 90 100.2 90 P2_1/n |
|
atom x y z |
|
Ni1 0 0 0 |
|
Na1 .54066 .17130 .24618 |
|
P1 .08091 .26109 .26036 |
|
P2 .71749 .45432 .26068 |
|
O1 .49005 .82958 .10119 |
|
O2 .21145 .24645 .36102 |
|
O3 .48336 .64039 .30248 |
|
O4 .42365 .84738 .41696 |
|
O5 .63632 .53862 .10813 |
|
O6 .67346 .46914 .44572 |
|
O7 .80756 .81570 .30182 |
|
O8 .84924 .48506 .26184 |
|
O9 .14832 .56088 .24155 |
|
O10 .08227 .87216 .21549 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba H4 O8 P2 |
| |
Durif A, Guitel J |
 |
Acta Crystallographica B34 (1978) 1671-1672 |
|
Structure de la forme triclinique du monophosphate acide de baryum |
|
_cod_database_code 1007024 |
|
_database_code_amcsd 0009642 |
|
8.032 7.013 7.202 109.36 104.46 96.00 P-1 |
|
atom x y z |
|
Ba1 .09233 .26660 .29441 |
|
P1 .4230 .7101 .8014 |
|
P2 .0966 .7601 .2755 |
|
O1 .2207 .6134 .2002 |
|
O2 -.0160 .1558 .8835 |
|
O3 .0162 .3609 .6498 |
|
O4 .3846 .1679 .1513 |
|
O5 .2154 .9600 .4632 |
|
O6 .2919 .8498 .7927 |
|
O7 .4230 .6361 -.0224 |
|
O8 .3904 .5305 .5953 |
|
|
| 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
|
|   |
|
SrHPO4 |
| |
Boudjada A, Masse R, Guitel J |
 |
Acta Crystallographica B34 (1978) 2692-2695 |
|
Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO4 alpha: |
|
forme triclinique |
|
_cod_database_code 1008031 |
|
_database_code_amcsd 0015978 |
|
7.184 6.790 7.256 94.68 104.97 88.77 P-1 |
|
atom x y z |
|
Sr1 .2889 .4476 .2519 |
|
Sr2 .1803 .8432 .6836 |
|
P1 .7915 .6266 .2890 |
|
P2 .2987 .9498 .2129 |
|
O1 .8647 .8093 .4170 |
|
O2 .6532 .5086 .3675 |
|
O3 .6747 .6928 .0842 |
|
O4 .9487 .4913 .2461 |
|
O5 .1037 .0646 .1570 |
|
O6 .3252 .8164 .0444 |
|
O7 .4554 .1058 .2812 |
|
O8 .2967 .8170 .3744 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag2 H O4 P |
| |
Tordjman I, Boudjada A, Guitel J, Masse R |
 |
Acta Crystallographica B34 (1978) 3723-3725 |
|
Structure de l'Hydrogenophosphate D'Argent |
|
_cod_database_code 1008168 |
|
_database_code_amcsd 0016108 |
|
6.190 6.190 9.015 90 90 120 P3_112 |
|
atom x y z |
|
Ag1 -.0818 .0818 1/3 |
|
Ag2 .2051 -.2051 1/3 |
|
P1 .5087 -.5087 1/3 |
|
O1 .2667 .4123 .4147 |
|
O2 .4609 .2750 .2247 |
|
H1 .62 .24 1/6 |
|
|
| 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
|
|   |
|
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
|
|   |
|
Ag2CO3 |
| |
Masse R, Guitel J, Durif A |
 |
Acta Crystallographica B35 (1979) 1428-1429 |
|
Structure du carbonate d'argent |
|
_cod_database_code 1007035 |
|
_database_code_amcsd 0009670 |
|
4.852 9.553 3.255 90 91.96 90 P2_1/m |
|
atom x y z |
|
Ag1 .2109 .0781 .2191 |
|
O1 -.018 .25 .889 |
|
O2 .390 .6342 .334 |
|
C1 .270 .75 .261 |
|
|
| 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
|
|   |
|
(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
|
|   |
|
As4 Cd H10 O16 |
| |
Boudjada A, Durif A, Guitel J |
 |
Acta Crystallographica B36 (1980) 133-135 |
|
Structure d'un Orthoarsenate Acide de Cadmium: Cd H10 (As O4)4 |
|
_cod_database_code 1007053 |
|
_database_code_amcsd 0009697 |
|
5.69 7.42 8.60 105.17 95.13 91.85 P-1 |
|
atom x y z |
|
As1 .13564 .45813 .25314 |
|
As2 .47588 .05485 .77083 |
|
Cd1 0 0 0 |
|
O1 .9380 .2825 .1742 |
|
O2 .0145 .6667 .2889 |
|
O3 .3550 .4726 .1332 |
|
O4 .2613 .4465 .4372 |
|
O5 .7661 .1547 .8017 |
|
O6 .4186 .8219 .6921 |
|
O7 .3253 .1312 .9283 |
|
O8 .3840 .1594 .6214 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd(NH4)2(Cr2O7)2(H2O)2 |
| |
Blum D, Durif A, Guitel J |
 |
Acta Crystallographica B36 (1980) 137-139 |
|
Structure du dichromate de cadmium et d'ammonium dihydrate: |
|
Cd(NH4)2(Cr2O7)2(H2O)2 |
|
_cod_database_code 1007041 |
|
_database_code_amcsd 0009698 |
|
14.48 6.974 15.86 90 93.25 90 C2/c |
|
atom x y z |
|
Cd1 0 .91166 .25 |
|
N1 .1327 .3860 .4084 |
|
Cr1 .24826 .41156 .16078 |
|
Cr2 .10507 .13372 .07390 |
|
O1 .1792 .4404 .2356 |
|
O2 .3564 .4134 .1903 |
|
O3 .2739 .0794 .4065 |
|
O4 .2210 .1899 .1096 |
|
O5 .0379 .1337 .1540 |
|
O6 .3920 .4258 .4676 |
|
O7 .0677 .2951 .0078 |
|
O8 .4737 .1647 .3407 |
|
|
| 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 N O9 P2 Zn |
| |
Boudjada A, Tranqui D, Guitel J |
 |
Acta Crystallographica B36 (1980) 1176-1178 |
|
Structure d'un Orthophosphate Acide Mixte de Zinc Ammonium Monohydrate: |
|
Zn (N H4) H3 (P O4)2 (H2 O) |
|
_cod_database_code 1008102 |
|
_database_code_amcsd 0016044 |
|
7.687 8.049 8.060 116.25 108.21 84.14 P-1 |
|
atom x y z |
|
N1 .0625 .1908 .4254 |
|
Zn1 .24209 .47461 .23714 |
|
P1 .11903 .75256 .04823 |
|
P2 .42141 .75985 .67992 |
|
O1 .2343 .9100 .0766 |
|
O2 .0179 .8238 .2092 |
|
O3 .2390 .5962 .0746 |
|
O4 -.0246 .6761 -.1514 |
|
O5 .5438 .8439 .6107 |
|
O6 .5346 .6567 .7924 |
|
O7 .3373 .9308 .8152 |
|
O8 .2681 .6438 .5042 |
|
O9 .3583 .2827 .7808 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kaatialaite |
 |
Boudjada A, Guitel J C |
 |
Acta Crystallographica B37 (1981) 1402-1405 |
|
Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O |
|
Locality: synthetic |
|
Note: anisoB's from ICSD |
|
_database_code_amcsd 0009745 |
|
15.25 19.600 4.72 90 91.8 90 P2_1/n |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe .2802 .17815 .6309 1.5 .00135 .00120 .01458 .00004 -.00003 .00014 |
|
As1 .19740 .08334 .1240 1.39 .00136 .00102 .01488 -.00005 .00009 -.00014 |
|
As2 .22209 .28278 .1129 1.43 .00147 .00106 .01444 .00014 -.00039 -.00022 |
|
As3 .42678 .16266 .1394 1.5 .00109 .00130 .01482 .00008 .00008 .00001 |
|
O11 .1846 .1397 .378 1.6 .00162 .00136 .0147 .00001 0 -.00023 |
|
O12 .2682 .0953 -.128 1.7 .00240 .00123 .0121 -.00053 .0021 -.00100 |
|
OH13 .0932 .0738 -.008 2.7 .00170 .00258 .0277 .00003 -.0037 .0005 |
|
OH14 .2248 .0073 .269 2.4 .00248 .00135 .0338 -.00001 .0045 .00057 |
|
O21 .1966 .2260 -.133 1.6 .00107 .00124 .0225 .00024 -.0002 .00067 |
|
OH22 .1238 .3106 .235 2.6 .00213 .00208 .0277 .00051 .0012 -.0022 |
|
O23 .2866 .2622 .386 1.6 .00176 .00125 .0137 -.00003 -.0003 .00066 |
|
OH24 .2720 .3520 -.020 2.8 .00352 .00181 .0254 -.00008 -.0019 .0014 |
|
O31 .3654 .1307 .388 1.4 .00106 .00105 .0171 .00019 .00046 .00004 |
|
OH32 .4857 .0974 .013 2.7 .00248 .00200 .0293 .00056 .0015 -.0012 |
|
O33 .3797 .2075 -.115 1.8 .00104 .00169 .0184 -.00031 -.00162 -.00078 |
|
OH34 .5042 .2125 .302 2.2 .00146 .00213 .0219 -.00084 -.0031 .0020 |
|
Wat1 .5170 .3251 .042 2.6 .00235 .00182 .0294 -.00041 -.0012 .0009 |
|
Wat2 .9222 .4867 .127 2.7 .00283 .00154 .0353 -.00063 .0008 -.0003 |
|
Wat3 .9171 .0242 .382 3.0 .00318 .00194 .0313 -.00020 -.0004 -.0005 |
|
Wat4 .6806 .0771 .087 2.8 .00208 .00201 .0359 -.00011 -.0002 -.0013 |
|
Wat5 .9216 .1408 .055 2.9 .00297 .00180 .0348 .00034 .0008 .0005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag As2 Cu H3 O8 |
| |
Boudjada A, Masse R, Guitel J |
 |
Acta Crystallographica B38 (1982) 710-713 |
|
Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- |
|
Argent: Cu Ag H3 (As O4)2 |
|
_cod_database_code 1008183 |
|
_database_code_amcsd 0016120 |
|
9.716 7.704 9.209 90 103.73 90 P2_1/a |
|
atom x y z |
|
Ag1 .97033 .7515 .22363 |
|
As1 .82207 .3032 .07017 |
|
As2 .29450 .5092 .47073 |
|
Cu1 .4918 .1780 .4048 |
|
O1 .9224 .1193 .0798 |
|
O2 .8782 .4346 .2157 |
|
O3 .6559 .2344 .0430 |
|
O4 .8461 .4005 -.0893 |
|
O5 .3471 .4693 .6622 |
|
O6 .3393 .3441 .3768 |
|
O7 .1157 .5283 .4270 |
|
O8 .3764 .6938 .4405 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb4 O12 U |
| |
Labeau M, Grey I, Coubert J, Chenevas J, Collomb A, Guitel J |
 |
Acta Crystallographica B41 (1985) 33-41 |
|
The structure of the a-cation deficient Perovskite U Nb4 O12 |
|
_cod_database_code 1008280 |
|
_database_code_amcsd 0016202 |
|
15.424 7.712 15.592 90 90 90 Immm |
|
atom x y z occ |
|
U1 0 0 0 .88 |
|
U2 0 .5 0 .96 |
|
U3 .2591 0 0 .55 |
|
U4 .2576 .5 0 .46 |
|
U5 .490 0 0 .06 |
|
U6 .486 .5 0 .06 |
|
Nb1 .1257 .2521 .1352 |
|
Nb2 .3803 .2640 .1251 |
|
O1 .384 0 .098 |
|
O2 .149 0 .364 |
|
O3 .093 0 .136 |
|
O4 .369 0 .404 |
|
O5 .362 .285 0 |
|
O6 0 .227 .391 |
|
O7 .135 .185 0 |
|
O8 0 .287 .100 |
|
O9 .247 .214 .131 |
|
O10 .137 .291 .253 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb2 O6 U0.5 |
| |
Labeau M, Grey I, Coubert J, Chenevas J, Collomb A, Guitel J |
 |
Acta Crystallographica B41 (1985) 33-41 |
|
The structure of the a-cation deficient Perovskite U Nb4 O12 |
|
_cod_database_code 1008281 |
|
_database_code_amcsd 0016203 |
|
3.856 3.856 7.796 90 90 90 P4/mmm |
|
atom x y z occ |
|
U1 0 0 0 .5 |
|
Nb1 .5 .5 .2611 |
|
O1 .5 .5 0 |
|
O2 .5 .5 .5 |
|
O3 0 .5 .2285 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H30 N6 O24 P6 Te |
| |
Boudjada N, Boudjada A, Guitel J |
 |
Acta Crystallographica C39 (1983) 656-658 |
|
Structure du Trimetaphosphate-Tellurate d'Ammonium, |
|
2(N H4)3 P3 O9 * Te (O H)6 |
|
_cod_database_code 1008202 |
|
_database_code_amcsd 0016138 |
|
11.16 11.16 17.86 90 90 120 R-3 |
|
atom x y z |
|
Te1 0 0 0 |
|
P1 .20190 .50377 -.00126 |
|
O1 .1516 .0334 .06325 |
|
O2 .2705 .0543 .38786 |
|
O3 .1126 .1397 .35261 |
|
O4 .3694 .5092 .41542 |
|
N1 .2375 .2717 .1607 |
|
H1 .183 -.006 .055 |
|
H2 .389 .001 .135 |
|
H3 .357 .060 .205 |
|
H4 .196 .311 .123 |
|
H5 .148 .475 .489 |
|
|
| 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
|
|   |
|
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
|
|   |
|
H6 Na O12 P3 Sr |
| |
Zilber R, Tordjman I, Durif A, Guitel J |
| |
Zeitschrift fur Kristallographie 140 (1974) 350-359 |
|
Structure cristalline du trimetaphosphate de strontium sodium |
|
trihydrate. Sr Na P3 O9 (H2 O)3 |
|
_cod_database_code 1007033 |
|
_database_code_amcsd 0010767 |
|
16.167 12.013 10.615 90 90 90 Pnma |
|
atom x y z |
|
Sr1 .1018 .25 .0556 |
|
Sr2 .3260 .25 .9388 |
|
Na1 .4959 .25 .1431 |
|
Na2 .8834 .25 .8711 |
|
P1 .2797 .4811 .4658 |
|
P2 .1296 .4717 .3209 |
|
P3 .3790 .5104 .0900 |
|
O1 .2245 .4392 .3496 |
|
O2 .0895 .4466 .4556 |
|
O3 .2828 .5437 .0803 |
|
O4 .3507 .4046 .4792 |
|
O5 .2938 .6044 .4584 |
|
O6 .0955 .3892 .2345 |
|
O7 .1258 .5911 .2930 |
|
O8 .4154 .5826 .1862 |
|
O9 .3864 .3885 .0978 |
|
O10 .4870 .6151 .4189 |
|
O11 .4471 .25 .3536 |
|
O12 .4882 .25 .917 |
|
O13 .2470 .25 .167 |
|
O14 .237 .25 .728 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CaNH4P3O9 |
| |
Masse R, Durif A, Guitel J C |
 |
Zeitschrift fur Kristallographie 141 (1975) 113-125 |
|
Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates: |
|
CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O |
|
Note: x(P2) adjusted to match reported bond lengths |
|
_database_code_amcsd 0010771 |
|
7.446 12.461 10.050 90 90 90.11 P2_1/n |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .2424 .7228 .5132 1.19 .0077 .0016 .0022 .0000 .0004 .0000 |
|
NH4 .2277 .0839 .9065 2.1 .0105 .0029 .0051 .0017 .0007 .0009 |
|
P1 .0662 .1649 .2488 1.08 .0057 .0016 .0024 .0004 .0002 .0000 |
|
P2 .4661 .1327 .2491 1.15 .0050 .0019 .0028 -.0007 -.0001 .0001 |
|
P3 .2160 -.0436 .2861 1.09 .0077 .0010 .0022 .0002 .0005 .0005 |
|
O1 .0748 .0504 .3218 1.5 .0079 .0015 .0043 -.0009 .0012 .0008 |
|
O2 .2743 .1869 .2152 2.3 .0074 .0027 .0085 .0009 .0021 .0031 |
|
O3 .4033 .0188 .3113 1.6 .0066 .0029 .0037 .0007 -.0009 .0015 |
|
O4 .0040 .2467 .3470 2.0 .0080 .0037 .0046 .0014 .0022 .0008 |
|
O5 .9718 .1514 .1210 2.6 .0152 .0038 .0048 .0026 -.0043 -.0020 |
|
O6 .5515 .1964 .3520 4.2 .0236 .0081 .0063 -.0086 -.0063 .0005 |
|
O7 .5525 .1139 .1190 2.6 .0141 .0040 .0052 .0000 .0053 .0000 |
|
O8 .1972 -.0674 .1416 2.0 .0155 .0020 .0029 .0006 -.0015 .0007 |
|
O9 .1975 -.1273 .3863 2.3 .0137 .0026 .0052 .0002 .0007 .0013 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Li3 O21 P7 |
| |
El Horr N, Bagieu M, Guitel J, Tordjman I |
| |
Zeitschrift fur Kristallographie 169 (1984) 73-82 |
|
Crystal data and crystal structure of barium-lithium polyphosphate Ba2Li3(PO3)7 |
|
_cod_database_code 1008944 |
|
_database_code_amcsd 0016808 |
|
18.01399 8.535 11.584 90 104.48 90 P2_1/a |
|
atom x y z |
|
Ba1 .19763 .06603 .03603 |
|
Ba2 .31271 .05386 .47231 |
|
P1 .24685 .4382 .2449 |
|
P2 .36346 .1604 .8819 |
|
P3 .38374 .3995 .7060 |
|
P4 .50673 .3746 .1618 |
|
P5 .99209 .3658 .3333 |
|
P6 .11307 .3945 .7848 |
|
P7 .13803 .1460 .6184 |
|
O1 .1793 .0503 .7361 |
|
O2 .2492 .3497 .3559 |
|
O3 .2408 .3623 .1286 |
|
O4 .3227 .0589 .7660 |
|
O5 .4329 .0813 .9505 |
|
O6 .3934 .3061 .8213 |
|
O7 .3056 .2165 .9416 |
|
O8 .3880 .2950 .6063 |
|
O9 .3198 .5064 .6942 |
|
O10 .0397 .9983 .2614 |
|
O11 .0703 .2060 .1247 |
|
O12 .4643 .2681 .2327 |
|
O13 .4461 .4488 .0671 |
|
O14 .4669 .9815 .2539 |
|
O15 .4448 .1576 .4194 |
|
O16 .0768 .3703 .3760 |
|
O17 .0997 .2838 .6713 |
|
O18 .1115 .2992 .8901 |
|
O19 .3228 -.0006 .2171 |
|
O20 .1957 .2027 .5583 |
|
O21 .0711 .0564 .5483 |
|
Li1 .4613 .355 .514 |
|
Li2 .1560 .228 .365 |
|
Li3 .0445 .365 -.004 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Be K O9 P3 |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
 |
Zeitschrift fur Kristallographie 177 (1986) 139-142 |
|
Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3 |
|
_cod_database_code 1007263 |
|
_database_code_amcsd 0015944 |
|
7.855 8.610 11.399 90 90 90 P2_12_12_1 |
|
atom x y z |
|
K1 .0016 .29692 .93145 |
|
P1 .30789 .29425 .38233 |
|
P2 -.18107 .49642 .20236 |
|
P3 .19002 .50367 .20129 |
|
Be1 .6792 .2921 .3718 |
|
O1 .7606 .7539 .0018 |
|
O2 -.0152 .1449 .6269 |
|
O3 .2041 .8490 .7963 |
|
O4 .7059 .5691 .8237 |
|
O5 .7151 .5997 .6000 |
|
O6 .4967 .4242 .6999 |
|
O7 .6914 .1391 .2883 |
|
O8 .2826 .6109 .6080 |
|
O9 .1863 .4211 .3281 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co H6 N O5 P |
| |
Tranqui D, Durif A, Guitel J, Averbuch-Pouchot M |
|   |
Bulletin de la Societe Chimique de France 1968 (1968) 1759-1760 |
|
Structure cristalline des composes du type N H4 M(II) P O4 (H2 O) |
|
_cod_database_code 1007079 |
|
_database_code_amcsd 0012099 |
|
5.55 8.85 4.805 90 90 90 Pmn2_1 |
|
atom x y z |
|
N1 0 .5390 .659 |
|
Co1 0 -.024 .546 |
|
P1 0 .1846 .1380 |
|
O1 0 .1580 -.169 |
|
O2 0 .3522 .169 |
|
O3 .23 .120 .2890 |
|
O4 0 -.179 .2330 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba O6 P2 |
| |
Grenier J, Martin C, Durif A, Tranqui D, Guitel J |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 24-31 |
|
Une nouvelle forme du metaphosphate de baryum Ba (P O3)2 |
|
_cod_database_code 1007050 |
|
_database_code_amcsd 0012121 |
|
4.510 13.44 8.36 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Ba1 .255 .126 .198 |
|
P1 .715 .353 .226 |
|
P2 .215 .402 .429 |
|
O1 .385 .332 .295 |
|
O2 .885 .37 .386 |
|
O3 .715 .448 .127 |
|
O4 .785 .26 .136 |
|
O5 .76 .011 .126 |
|
O6 .815 .136 .421 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co H4 N O9 P3 |
| |
Tranqui D, Grenier J, Durif A, Guitel J |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 252-256 |
|
Structure cristalline de la variete orthorhombique du metaphosphate de |
|
cobalt-ammonium: Co N H4 (P O3)3 |
|
_cod_database_code 1007245 |
|
_database_code_amcsd 0015927 |
|
5.142 11.93 12.95 90 90 90 Pbcm |
|
atom x y z |
|
N1 0 .26 .25 |
|
Co1 0 0 0 |
|
P1 .73 .25 0 |
|
P2 .456 .421 .134 |
|
O1 .448 .304 .085 |
|
O2 .901 .147 .049 |
|
O3 .172 .447 .135 |
|
O4 .662 .501 .094 |
|
O5 .574 .399 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co H6 N O5 P |
| |
Tranqui D, Durif A, Guitel J, Averbuch-Pouchot M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 91 (1968) 10-12 |
|
Contribution a l'etude des phosphates ammoniaco-metalliques |
|
monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium |
|
monohydrate: Co N H4 P O4, H2 O |
|
_cod_database_code 1007254 |
|
_database_code_amcsd 0015935 |
|
5.55 8.85 4.805 90 90 90 Pmn2_1 |
|
atom x y z |
|
Co1 0 -.024 .546 |
|
P1 0 .1846 .1380 |
|
O1 0 .1580 -.169 |
|
O2 0 .3522 .169 |
|
O3 .23 .120 .2890 |
|
O4 0 -.1790 .2330 |
|
N1 0 .5390 .659 |
|
|
| 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 Ti2 |
| |
Masse R, Durif A, Guitel J, Tordjman I |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 95 (1972) 47-55 |
|
Structure cristalline du monophosphate lacunaire K Ti2 (P O4)3. |
|
Monophosphates lacunaires NbGe(PO4)3 et M(V)Ti(PO4)3 pour M(V) = Sb, Nb, Ta |
|
_cod_database_code 1007058 |
|
_database_code_amcsd 0012135 |
|
9.770 9.770 9.770 90 90 90 P2_13 |
|
atom x y z occ |
|
Ti1 .5865 .5865 .5865 |
|
Ti2 .8624 .8624 .8624 |
|
K1 .2818 .2818 .2818 .8 |
|
K2 .0730 .0730 .0730 .2 |
|
P1 .6266 .4543 .2720 |
|
O1 .648 .499 .421 |
|
O2 .763 .476 .196 |
|
O3 .582 .304 .264 |
|
O4 .515 .541 .203 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd H8 O10 P2 |
| |
Averbuch-Pouchot M, Durif A, Guitel J, Tordjman I, Laugt M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 96 (1973) 278-280 |
|
Structure cristalline de Cd (H2 P O4)2 (H2 O)2 |
|
_cod_database_code 1007055 |
|
_database_code_amcsd 0012138 |
|
7.352 10.425 5.406 90 93.79 90 P2_1/n |
|
atom x y z |
|
Cd1 0 0 0 |
|
P1 .3327 .2162 .2473 |
|
O1 .3652 .3587 .2229 |
|
O2 .4596 .1376 .0816 |
|
O3 .3813 .1741 .5230 |
|
O4 .1409 .1746 .1758 |
|
O5 .2776 .4640 .7755 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd O6 P2 |
| |
Bagieu-Beucher M, Guitel J, Tordjman I, Durif A |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 97 (1974) 481-484 |
|
Affinement de la structure cristalline du polyphosphate de cadmium. Cd(PO3)2 |
|
_cod_database_code 1007031 |
|
_database_code_amcsd 0012139 |
|
9.607 13.70 7.037 90 90 90 Pbca |
|
atom x y z |
|
Cd1 -.00814 .20572 .05347 |
|
P1 .21043 .39362 .18484 |
|
P2 .30213 .40348 .58120 |
|
O1 .2962 .3719 .0147 |
|
O2 .1003 .3221 .2439 |
|
O3 .4033 .3246 .6382 |
|
O4 .1532 .3670 .6351 |
|
O5 .3158 .4128 .3559 |
|
O6 .1332 .4963 .1557 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Fe16 Mg2 O27 |
| |
Collomb A, Abdelkader O, Wolfers P, Guitel J, Samaras D |
|   |
Journal of Magnetism and Magnetic Materials 58 (1986) 247-253 |
|
Crystal structure and magnesium location in the W-type hexagonal |
|
ferrite: (Ba) Mg2 - W. |
|
_cod_database_code 1008764 |
|
_database_code_amcsd 0016641 |
|
5.9060 5.9060 32.91499 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 0 0 .25 |
|
Mg1 1/3 2/3 -.2447 .041 |
|
Fe1 1/3 2/3 -.2447 .459 |
|
Mg2 1/3 2/3 -.42589 .120 |
|
Fe2 1/3 2/3 -.42589 .880 |
|
Mg3 .5 0 0 .379 |
|
Fe3 .5 0 0 .621 |
|
Mg4 0 0 .05573 .16 |
|
Fe4 0 0 .05573 .84 |
|
Mg5 1/3 2/3 .09275 .101 |
|
Fe5 1/3 2/3 .09275 .899 |
|
Fe6 1/3 2/3 .20794 |
|
Fe7 -.16450 -.32900 .15024 |
|
O1 0 0 .11284 |
|
O2 1/3 2/3 .03493 |
|
O3 1/3 2/3 -.32026 |
|
O4 .4852 .9704 .25 |
|
O5 .5117 .0234 .11041 |
|
O6 -.1769 -.3538 .03612 |
|
O7 .1629 .3258 .17928 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Fe6.06 O11 Zn0.94 |
| |
Collomb A, Muller J, Guitel J, Desvignes J |
|   |
Journal of Magnetism and Magnetic Materials 78 (1989) 77-84 |
|
Crystal structure and zinc location in the Ba Zn Fe6 O11 Y-type |
|
hexagonal ferrite |
|
_cod_database_code 1008804 |
|
_database_code_amcsd 0016675 |
|
5.875 5.875 43.571 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .29992 .0116 .0116 .0095 .0058 0 0 |
|
Zn1 0 0 .37610 .25 .0087 .0087 .0071 .0043 0 0 |
|
Fe1 0 0 .37610 .75 .0087 .0087 .0071 .0043 0 0 |
|
Zn2 0 0 .15227 .69 .0084 .0084 .0091 .0042 0 0 |
|
Fe2 0 0 .15227 .31 .0084 .0084 .0091 .0042 0 0 |
|
Fe3 0 0 .06522 .0095 .0095 .0084 .0047 0 0 |
|
Fe4 0 0 .5 .0077 .0077 .0073 .0038 0 0 |
|
Fe5 .50317 .49683 .19073 .0090 .0090 .0079 .0050 .00 .00 |
|
Fe6 0 0 0 .0096 .0096 .0062 .0048 0 0 |
|
O1 0 0 .41973 .0087 .0087 .0110 .0043 0 0 |
|
O2 0 0 .19738 .006 .006 .0133 .0030 0 0 |
|
O3 .15727 .84273 .02884 .0138 .0138 .0119 .0060 -.0033 .0033 |
|
O4 .82936 .17064 .08511 .0120 .0120 .0083 .0049 -.0001 .0001 |
|
O5 .17998 .82002 .13754 .0094 .0094 .0086 .0042 -.0003 .0003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Hg2 O4 P |
| |
Masse R, Guitel J, Durif A |
|   |
Journal of Solid State Chemistry 23 (1978) 369-373 |
|
Structure cristalline du monophosphate Ag Hg2 P O4. Donnees |
|
cristallographiques sur Ag Hg2 As O4 |
|
_cod_database_code 1007029 |
|
_database_code_amcsd 0013359 |
|
9.256 8.614 6.152 90 90 90 Pbam |
|
atom x y z |
|
Hg1 .03050 .25148 .21180 |
|
Ag1 .3501 .0292 0 |
|
P1 .2857 .4556 .5 |
|
O1 .194 .050 .286 |
|
O2 .132 .384 .5 |
|
O3 .405 .326 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H2 Hg4 N O8 P |
| |
Durif A, Tordjman I, Masse R, Guitel J |
|   |
Journal of Solid State Chemistry 24 (1978) 101-105 |
|
Structure cristalline du nitro-phosphate mercureux: Hg4PO4NO3(H2O) |
|
_cod_database_code 1007021 |
|
_database_code_amcsd 0013361 |
|
18.38 8.258 5.952 90 91.2 90 P2_1/n |
|
atom x y z |
|
Hg1 .77047 .5398 .0370 |
|
Hg2 .43128 .9171 .8254 |
|
Hg3 .54060 .8011 .3117 |
|
Hg4 .76661 -.0004 .0648 |
|
P1 .3647 .7202 .238 |
|
N1 .373 .245 .240 |
|
O1 .098 .204 .496 |
|
O2 .420 .717 .437 |
|
O3 .186 .073 .242 |
|
O4 .179 .384 .259 |
|
O5 .344 .246 .048 |
|
O6 .340 .231 .413 |
|
O7 .444 .260 .239 |
|
O8 .438 .462 .712 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu4 O9 P2 |
| |
Brunel-Lauegt M, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 25 (1978) 39-47 |
|
Structure cristalline de Cu4 (P O4)2 O |
|
_cod_database_code 1007023 |
|
_database_code_amcsd 0013362 |
|
7.528 8.090 6.272 113.68 81.56 105.77 P-1 |
|
atom x y z |
|
Cu1 .1277 .2631 .3556 |
|
Cu2 .6683 .4384 .7839 |
|
Cu3 .8940 .7435 .1282 |
|
Cu4 .6185 .9140 .0653 |
|
P1 .7360 .3494 .2204 |
|
P2 .2155 .9195 .4193 |
|
O1 .2740 .2949 .0951 |
|
O2 .0319 .7606 .3786 |
|
O3 .5847 .1681 .1539 |
|
O4 .7800 .9661 .3168 |
|
O5 .2046 .0348 .2855 |
|
O6 .3771 .8268 .3307 |
|
O7 .7019 .4735 .1051 |
|
O8 .9282 .3092 .1538 |
|
O9 .2740 .5373 .5145 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 Cu H2 K2 O14 P2 |
| |
Coing-Boyat J, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 30 (1979) 329-334 |
|
Structure cristalline d'un phosphochromate acide de cuivre potassium: |
|
Cu K2 H2 (P Cr O7)2 |
|
_cod_database_code 1007042 |
|
_database_code_amcsd 0013372 |
|
9.559 7.196 8.983 90 93.73 90 P2_1/c |
|
atom x y z |
|
Cu1 0 0 .5 |
|
K1 .69464 .12278 .17615 |
|
Cr1 .34715 .11598 .39091 |
|
P1 .08815 .13012 .18629 |
|
O1 .2149 .2336 .2643 |
|
O2 .4523 .0010 .2937 |
|
O3 .7373 .0274 .5073 |
|
O4 .4272 .2780 .4843 |
|
O5 .8443 .4478 .3757 |
|
O6 .9785 .0799 .2932 |
|
O7 .0244 .2400 .0550 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr3 H6 Na3 O16 P |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 33 (1980) 325-333 |
|
Crystal structure of Na3 P Cr3 O13 (H2 O)13: A new type of |
|
chromophosphoric anion |
|
_cod_database_code 1007255 |
|
_database_code_amcsd 0015936 |
|
11.72 14.89 16.59 90 90 90 Pbc2_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .4963 .3773 .3141 .00451 .00239 .00134 .00025 -.00055 .00007 |
|
Na2 .1777 .1170 .1693 .00426 .00321 .00311 -.00112 .00007 -.00047 |
|
Na3 .3152 .3685 .4912 .00332 .00416 .00278 -.00007 .00017 -.00079 |
|
Na4 .8922 .1203 .1022 .00468 .00295 .00217 -.00022 -.00060 .00002 |
|
Na5 -.0184 .1308 .3295 .00411 .00369 .00306 -.00042 .00115 .00031 |
|
Na6 .6095 .1238 .0192 .00361 .00310 .00277 .00035 -.00094 .00002 |
|
P1 -.0017 .4465 .2085 .00313 .00161 .00166 -.00022 -.00018 .00035 |
|
P2 .4807 .1906 .4298 .00285 .00095 .00153 -.00031 -.00035 .00005 |
|
Cr1 .8284 .8211 .3028 .00267 .00149 .00172 .00019 .00036 .00010 |
|
Cr2 .0705 .3248 .0548 .00331 .00161 .00159 .00013 -.00026 -.00008 |
|
Cr3 .8164 .3051 .2664 .00263 .00163 .00226 .00033 .00053 .00010 |
|
Cr4 .3073 .0540 .3507 .00304 .00162 .00195 -.00026 -.00036 -.00013 |
|
Cr5 .6705 .0665 .3520 .00400 .00181 .00179 .00026 .00056 -.00017 |
|
Cr6 .5514 .4211 .0847 .00292 .00142 .00136 -.00003 .00010 -.00014 |
|
O1 .2000 .3442 .0368 |
|
O2 .6812 .3194 .2713 |
|
O3 .1742 .3248 .3994 |
|
O4 .0051 .0460 .2047 |
|
O5 .2961 .3366 .2693 |
|
O6 -.0007 .1568 .4761 |
|
O7 .0784 .4133 .2794 |
|
O8 .0507 .2247 .0879 |
|
O9 .1180 .2291 .2685 |
|
O10 .8479 .2249 .2063 |
|
O11 .8815 .4087 .2294 |
|
O12 .0349 .4023 .1299 |
|
O13 .8724 .2798 .3482 |
|
O14 .8029 .0816 .3713 |
|
O15 .4770 .2892 .4390 |
|
O16 .3257 .0423 .2565 |
|
O17 .1761 .0606 .3712 |
|
O18 .5969 .1619 .3923 |
|
O19 .3744 .4774 .3925 |
|
O20 .6476 .0621 .2575 |
|
O21 .4505 .0247 .0636 |
|
O22 .6825 .3826 .0822 |
|
O23 .4721 .3555 .0118 |
|
O24 .4969 .4015 .1692 |
|
O25 .3795 .1594 .3757 |
|
O26 .635 .4721 .3975 |
|
O27 .3294 .2027 .1179 |
|
O28 .5647 .1921 .1510 |
|
O29 .7741 .2181 .0155 |
|
O30 -.0436 .4371 .4751 |
|
O31 .0176 .0355 .0467 |
|
O32 .7288 .0216 .1004 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr4 H12 N3 O16 P |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 36 (1981) 381-384 |
|
Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16 |
|
_cod_database_code 1007244 |
|
_database_code_amcsd 0015926 |
|
12.033 12.033 10.032 90 90 120 R3m |
|
atom x y z |
|
Cr1 .8756 -.8756 .5075 |
|
Cr2 0 0 0 |
|
P1 0 0 .3257 |
|
O1 .9312 -.9312 .3646 |
|
O2 -.0191 .2269 .5803 |
|
O3 .8084 -.8084 .4461 |
|
O4 0 0 .1778 |
|
O5 .9271 -.9271 .9456 |
|
N1 -.5152 .5152 .4676 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr4 K3 O16 P |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 38 (1981) 253-258 |
|
Crystal structure of K3 P Cr4 O16: A second example of a |
|
quaternary phosphorus |
|
_cod_database_code 1007048 |
|
_database_code_amcsd 0013415 |
|
9.512 11.74 14.74 90 106.13 90 Cc |
|
atom x y z |
|
Cr1 .4447 .2361 .1411 |
|
Cr2 .3327 .4351 .4588 |
|
Cr3 .3371 .0569 .4359 |
|
Cr4 .4491 .2643 .7614 |
|
P1 .1204 .2335 .4801 |
|
K1 .2080 .4622 .1725 |
|
K2 .1462 .2734 .8907 |
|
K3 .1884 .0097 .1606 |
|
O1 .981 .165 .718 |
|
O2 .994 .385 .688 |
|
O3 .276 .233 .090 |
|
O4 .042 .221 .567 |
|
O5 .25 .494 .365 |
|
O6 .968 .123 .950 |
|
O7 .368 .473 .038 |
|
O8 .212 .343 .495 |
|
O9 -.004 .431 0 |
|
O10 .333 .125 .341 |
|
O11 .279 .065 .906 |
|
O12 .214 .128 .494 |
|
O13 .463 .383 .718 |
|
O14 .288 .251 .744 |
|
O15 .047 .311 .225 |
|
O16 .501 .264 .888 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H32 N4 O26 P4 Te2 |
| |
Durif A, Averbuch-Pouchot M, Guitel J |
|   |
Journal of Solid State Chemistry 41 (1982) 153-159 |
|
(N H4)4 P4 O12 (Te (O H)6)2 (H2 O)2, the first Example |
|
of a Tetrametaphosphate-Tellurate |
|
_cod_database_code 1007087 |
|
_database_code_amcsd 0013463 |
|
11.845 8.554 7.433 66.28 95.91 76.00 P-1 |
|
atom x y z |
|
Te1 .16716 .22073 .17234 |
|
P1 .41044 .70065 .0467 |
|
P2 .38906 .58965 .7185 |
|
O1 .2224 .1315 .9815 |
|
O2 .0102 .2265 .0942 |
|
O3 .1721 -.0082 .3725 |
|
O4 .8519 .5441 .0287 |
|
O5 .3243 .1977 .2688 |
|
O6 .1096 .3212 .3509 |
|
O7 .6285 .3998 .0739 |
|
O8 .4783 .5323 .2452 |
|
O9 .3027 .7892 .1049 |
|
O10 .4915 .8061 .9435 |
|
O11 .6144 .2355 .4415 |
|
O12 .6939 .5108 .3015 |
|
O13 .1648 .6070 .3474 |
|
N1 .5801 .8363 .3550 |
|
N2 .9562 .8846 .2814 |
|
H1 .245 .006 .056 |
|
H2 .044 .671 .903 |
|
H3 .247 .931 .402 |
|
H4 .198 .456 .885 |
|
H5 .375 .204 .179 |
|
H6 .129 .418 .339 |
|
H7 .199 .536 .473 |
|
H8 .209 .665 .252 |
|
H9 .385 .235 .684 |
|
H10 .512 .808 .404 |
|
H11 .372 .150 .557 |
|
H12 .421 .063 .732 |
|
H13 .031 .014 .756 |
|
H14 .017 .815 .186 |
|
H15 .075 .124 .631 |
|
H16 .090 .104 .805 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2Zn3P10O30 |
| |
Bagieu-Beucher M, Durif A, Guitel J |
|   |
Journal of Solid State Chemistry 45 (1982) 159-163 |
|
Crystal Structure of a Barium-Zinc Decametaphosphate Ba2Zn3P10O30 |
|
_cod_database_code 1007089 |
|
_database_code_amcsd 0013498 |
|
21.738 5.356 10.748 90 99.65 90 P2/n |
|
atom x y z |
|
Ba1 .57580 .4983 .18736 |
|
Zn1 .5 .5 .5 |
|
Zn2 .25 .4514 .75 |
|
Zn3 .25 .5307 .25 |
|
P1 .42580 .0939 .0552 |
|
P2 .47814 -.0158 .3173 |
|
P3 .37042 -.2145 .4134 |
|
P4 .30431 -.0444 .6222 |
|
P5 .20406 .2234 .4789 |
|
O1 .4595 -.078 .1694 |
|
O2 .4140 -.007 .3666 |
|
O3 .3504 -.056 .5249 |
|
O4 .2356 -.032 .5395 |
|
O5 .3586 .116 .0979 |
|
O6 .4544 .348 .0586 |
|
O7 .4211 -.050 -.0653 |
|
O8 .5051 .240 .3365 |
|
O9 .5168 -.234 .3692 |
|
O10 .3162 -.245 .3108 |
|
O11 .4066 -.439 .4620 |
|
O12 .3180 .195 .6918 |
|
O13 .3093 -.283 .6950 |
|
O14 .2433 .317 .3896 |
|
O15 .1908 .394 .5809 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ag Co O4 P |
| |
Tordjman I, Guitel J, Durif A, Averbuch M, Masse R |
|   |
Materials Research Bulletin 13 (1978) 983-988 |
|
Structure cristalline du monophosphate Ag Co P O4100521-Syntheses of |
|
Hollandite type Rb2 Cr8 O16, K2 Cr2 V6 O16 and K2 V8 O16 |
|
_cod_database_code 1007137 |
|
_database_code_amcsd 0014269 |
|
9.516 5.547 6.572 102.33 106.27 80.13 P-1 |
|
atom x y z |
|
Ag1 .11878 .33457 .37342 |
|
Ag2 .24864 .84128 .47953 |
|
Co1 .42991 .21377 .16703 |
|
Co2 .21209 .67798 .93963 |
|
P1 .4643 .3216 .7139 |
|
P2 .0931 .1809 .8534 |
|
O1 .4426 .1311 .8388 |
|
O2 .6305 .3602 .7769 |
|
O3 .4076 .2364 .4730 |
|
O4 .3879 .5838 .7845 |
|
O5 .2084 .1877 .0713 |
|
O6 -.0630 .2394 .8808 |
|
O7 .1144 -.0848 .7254 |
|
O8 .1211 .3741 .7339 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ni2 O7 P2 |
| |
Masse R, Guitel J, Durif A |
|   |
Materials Research Bulletin 14 (1979) 337-341 |
|
Structure cristalline d'une nouvelle variante de pyrophosphate de |
|
nickel Ni2 P2 O7 |
|
_cod_database_code 1007247 |
|
_database_code_amcsd 0015929 |
|
5.212 9.913 4.475 90 97.46 90 P2_1/a |
|
atom x y z |
|
Ni1 .58406 .34344 .90340 |
|
P1 .6569 .11126 .3579 |
|
O1 .7618 .2037 .6177 |
|
O2 .4635 .1793 .1194 |
|
O3 .8713 .0415 .2132 |
|
O4 .5 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
|
|   |
|
H9 O14 P2 Rb3 Te |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Materials Research Bulletin 14 (1979) 1219-1223 |
|
Structure cristalline d'un phospho-tellurate de rubidium: |
|
Te (O H)6 Rb2 (H P O4) Rb (H2 P O4) |
|
_cod_database_code 1007138 |
|
_database_code_amcsd 0014275 |
|
12.26 7.059 8.225 90 90.32 90 P2_1/a |
|
atom x y z |
|
Te1 0 0 0 |
|
Rb1 0 0 .5 |
|
Rb2 .31319 .0028 .1671 |
|
P1 .3345 .0151 .6498 |
|
O1 .1054 .4995 .1896 |
|
O2 .0694 .1288 .1783 |
|
O3 .0271 .2046 .8557 |
|
O4 .8618 .1093 .0566 |
|
O5 .2263 -.0938 .6462 |
|
O6 .0955 .4500 .4967 |
|
O7 .3116 .2354 .6268 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2 H7 O10 P Te |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Materials Research Bulletin 15 (1980) 387-395 |
|
Crystal structures of two cesium phosphate-tellurates: |
|
(Te(O H)6) (Cs2 H P O4) and (Te(O H)6) (Cs2 H P O4) (Cs H2 P O4)2 |
|
_cod_database_code 1007139 |
|
_database_code_amcsd 0014282 |
|
8.204 18.416 6.995 90 89.89 90 P2_1/n |
|
atom x y z |
|
Cs1 .47879 .34915 .7460 |
|
Cs2 .83857 .54866 .7301 |
|
Te1 .48322 .19505 .25707 |
|
P1 .6819 .4537 .2443 |
|
O1 .705 .0155 .197 |
|
O2 .7713 .3800 .259 |
|
O3 .5896 .1192 .386 |
|
O4 .6324 .2604 .382 |
|
O5 .3744 .2783 .151 |
|
O6 .3376 .1280 .136 |
|
O7 .3317 .2041 .464 |
|
O8 .1219 .0371 .536 |
|
O9 .1215 .3147 .537 |
|
O10 .5305 .4501 .381 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs4 H11 O18 P3 Te |
| |
Averbuch-Pouchot M, Durif A, Guitel J |
|   |
Materials Research Bulletin 15 (1980) 387-395 |
|
Crystal structures of two cesium phosphate-tellurates: |
|
(Te(O H)6) (Cs2 H P O4) and (Te(O H)6) (Cs2 H P O4) (Cs H2 P O4)2 |
|
_cod_database_code 1007140 |
|
_database_code_amcsd 0014283 |
|
9.591 13.163 8.367 90 106.27 90 P2_1/m |
|
atom x y z |
|
Te1 -.00589 .25 -.02142 |
|
Cs1 .04312 .25 .49539 |
|
Cs2 .26786 .01107 .26852 |
|
Cs3 .51306 .75 .02478 |
|
P1 .7076 .4938 .2392 |
|
P2 .4856 .25 .4737 |
|
O1 .0104 .6482 .1867 |
|
O2 .2167 .75 .0948 |
|
O3 .1996 .25 .0458 |
|
O4 -.0052 .3506 .1443 |
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O5 .7092 .5940 .3331 |
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O6 .5521 .4654 .1428 |
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O7 .8089 .4999 .1275 |
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O8 .7612 .4073 .3731 |
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O9 .3357 .25 .3575 |
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O10 .6091 .25 .390 |
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O11 .4933 .8459 .4119 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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Ba0.65 Ga10.8 O16.84 |
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Samaras D, Kotrotsios G, Collomb A, Guitel J, Stergiou A |
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Solid State Ionics 21 (1986) 143-149 |
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Crystal structure of a barium hexagallate: Barium betagallate |
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_cod_database_code 1008703 |
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_database_code_amcsd 0016589 |
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5.859 5.859 23.19199 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 .6781 .3562 .25 .216 |
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Ga1 .83359 .66718 .10729 .982 |
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Ga2 1/3 2/3 .02430 .899 |
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Ga3 1/3 2/3 .17538 |
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Ga4 0 0 0 |
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Ga5 .8415 .683 .1737 .018 |
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O1 .1558 .3116 .0522 .94 |
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O2 .5071 .0142 .1507 |
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O3 2/3 1/3 .0579 |
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O4 0 0 .1460 |
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O5 .2860 .572 .25 .33 |
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O6 .8723 .7446 .25 .07 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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