|
H10 K8 O32 P8 Te |
| |
Schuelke U, Averbuch-Pouchot M, Durif A |
| |
Zeitschrift fur Kristallographie 204 (1993) 143-152 |
|
Chemical preparation and crystal structure of an adduct between |
|
potassium cyclooctaphosphate and telluric acid: Te(OH)6*K8P8O24*2H2O |
|
_cod_database_code 1007216 |
|
_database_code_amcsd 0015901 |
|
11.315 10.67 7.547 108.72 100.30 66.80 P-1 |
|
atom x y z |
|
Te1 0 0 0 |
|
K1 .43872 .89184 .25603 |
|
K2 .97620 .38360 .08076 |
|
K3 .35586 .58668 .84047 |
|
K4 .85018 .91491 .36957 |
|
P1 .28028 .28185 .43550 |
|
P2 .13583 .57864 .43053 |
|
P3 .32757 .67998 .37264 |
|
P4 .46645 .80441 .70866 |
|
O1 .8625 .1659 .9581 |
|
O2 .9751 .0687 .2625 |
|
O3 .1156 .0975 .0236 |
|
O4 .3283 .3206 .6334 |
|
O5 .7579 .8444 .6360 |
|
O6 .8396 .5875 .6141 |
|
O7 .3798 .2693 .2977 |
|
O8 .0327 .6328 .2944 |
|
O9 .1220 .6474 .6346 |
|
O10 .7269 .4350 .6194 |
|
O11 .2217 .8197 .3887 |
|
O12 .5928 .3811 .7906 |
|
O13 .5803 .3168 .4391 |
|
O14 .4219 .9328 .6414 |
|
O15 .5618 .1902 .1053 |
|
O16 .7776 .6371 .0425 |
|
H1 .160 .854 .155 |
|
H2 .946 .143 .281 |
|
H3 .158 .113 .119 |
|
H4 .242 .371 .841 |
|
H5 .728 .683 .961 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca4K2P10O30*16(H2O) |
| |
Averbuch-Pouchot M, Durif A, Schuelke U |
| |
European Journal of Solid State and Inorganic Chemistry 33 (1996) 1091-1100 |
|
The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O) |
|
_cod_database_code 1007233 |
|
_database_code_amcsd 0015915 |
|
14.773 15.758 19.91409 90 90 90 Pna2_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .38673 .91663 .25 .0189 .0178 .0116 -.0040 -.005 -.003 |
|
Ca2 .50686 .13818 .25 .0258 .0180 .0172 -.0001 .000 -.001 |
|
Ca3 .68910 .86782 .02917 .0172 .0149 .0169 .0050 .0011 .0029 |
|
Ca4 .31095 .13229 .97174 .0145 .0172 .0191 .0029 .0010 -.0013 |
|
K1 .6375 .7735 .2501 .057 .081 .049 .021 .014 .006 |
|
K2 .1733 .0082 .1323 .105 .059 .046 .037 -.003 .007 |
|
P1 .4763 .8439 .10250 .0140 .0156 .0153 .0010 .0028 -.0021 |
|
P2 .4369 .0284 .10336 .0161 .0120 .0119 -.0010 -.0002 .0033 |
|
P3 .6263 .0693 .1063 .0198 .0141 .0179 -.0047 .0042 -.0039 |
|
P4 .7670 .1578 .0275 .0266 .0244 .036 -.0046 .0014 .0034 |
|
P5 .7127 .1958 .8899 .0182 .0292 .0182 -.0055 .0029 -.0078 |
|
P6 .5238 .1562 .89861 .0157 .0160 .0154 -.0016 -.0006 .0003 |
|
P7 .5632 -.0283 .89756 .0179 .0171 .0125 -.0003 .0012 .0001 |
|
P8 .3737 -.0693 .8952 .0221 .0199 .0174 -.0048 .0048 .0003 |
|
P9 .2328 .8420 .97348 .0133 .0145 .0164 -.0065 .0025 .0027 |
|
P10 .2873 .8036 .1115 .0152 .0263 .0188 -.0094 -.0003 -.0082 |
|
O1 .8888 .7125 .0853 .024 .012 .022 .007 .006 .006 |
|
O2 .5484 .8114 .0576 .012 .028 .019 -.003 .003 -.008 |
|
O3 .0096 .3469 .6759 .026 .021 .022 -.005 -.006 .006 |
|
O4 .9444 .5653 .0755 .035 .013 .015 .001 -.005 .000 |
|
O5 .5602 -.0281 .6783 .026 .015 .016 .001 -.006 -.003 |
|
O6 .6408 -.0683 .5699 .031 .032 .027 .014 .004 -.012 |
|
O7 .0249 .4276 .0758 .020 .034 .016 .008 .004 -.001 |
|
O8 .8737 .6043 .6742 .025 .050 .024 -.002 .001 -.016 |
|
O9 .1646 .5163 .0972 .044 .027 .033 .000 -.001 .000 |
|
O10 .1695 .3646 .0555 .022 .027 .051 .006 .012 -.011 |
|
O11 .6637 .5974 .5524 .027 .036 .050 .003 .011 .004 |
|
O12 .2795 .2490 .0384 .049 .026 .019 .021 .003 -.003 |
|
O13 .7549 .1394 -.0516 .029 .026 .037 .004 .001 -.004 |
|
O14 .2877 .8597 .3295 .017 .053 .020 -.004 .004 .027 |
|
O15 .7418 .7802 .3868 .029 .036 .018 .024 -.002 -.007 |
|
O16 .1115 .2880 -.0843 .013 .032 .027 .004 .003 .009 |
|
O17 .4518 .1888 -.0574 .023 .027 .034 .003 .010 -.005 |
|
O18 -.0092 .6529 .3248 .018 .030 .012 -.002 .006 -.002 |
|
O19 .0550 .4344 -.0742 .040 .020 .014 -.002 -.003 .003 |
|
O20 .4397 .0276 .3226 .027 .023 .008 -.006 .002 .000 |
|
O21 .3592 .0683 .4314 .020 .033 .021 .008 .003 -.001 |
|
O22 -.0265 .5727 -.0748 .026 .034 .018 .010 -.002 -.014 |
|
O23 .1253 .3940 .3261 .023 .048 .026 .010 -.005 -.020 |
|
O24 .8351 .4839 -.0953 .038 .012 .037 -.001 .013 .005 |
|
O25 .8307 .6349 -.0546 .026 .029 .041 .004 .008 -.017 |
|
O26 .7198 .7499 -.0376 .039 .015 .026 .007 .002 .001 |
|
O27 .3369 .4020 .4486 .024 .029 .048 -.002 .001 .015 |
|
O28 .2447 .8608 .0519 .023 .022 .021 -.003 .001 -.009 |
|
O29 .7119 .1418 .6717 .025 .045 .043 -.006 -.008 .018 |
|
O30 .2574 .2206 .6148 .031 .040 .024 .017 .006 .010 |
|
O31 .2582 .0201 .2514 .040 .044 .084 .010 -.032 -.015 |
|
O32 .0774 .2244 .2497 .136 .033 .181 .021 .126 -.003 |
|
O33 .4304 .2233 .3345 .139 .038 .057 .045 .067 .017 |
|
O34 .1642 .0727 .5121 .030 .041 .092 -.003 .000 .012 |
|
O35 .2934 .3372 .256 .085 .116 .36 .059 .05 .10 |
|
O36 .7043 .9382 .2464 .098 .085 .072 .023 -.031 .00 |
|
O37 .5063 .3422 .0092 .022 .082 .214 -.024 .045 -.101 |
|
O38 .052 .871 .328 .09 .081 1.3 -.019 -.04 -.06 |
|
O39 .673 .3212 .3599 .41 .030 .163 -.048 -.241 .030 |
|
O40 .876 .909 .186 .074 .59 .28 .03 -.059 -.30 |
|
O41 .942 .085 .3272 .45 .13 .066 -.04 .09 -.004 |
|
O42 .8350 -.0717 .4891 .019 .047 .080 -.008 -.011 -.001 |
|
O43 .383 .1975 .1895 .30 .113 .29 .137 -.219 -.123 |
|
O44 .0085 .168 .4765 .073 .20 .32 .036 -.071 -.187 |
|
O45 .048 .876 .148 .33 .50 .17 -.13 .05 -.17 |
|
O46 .161 .012 .368 .31 .21 .24 .06 .00 .01 |
|
|
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|
| |
|
Ag4 H20 K6 O40 P10 |
| |
Averbuch-Pouchot M, Durif A, Schuelke U |
| |
Journal of Solid State Chemistry 97 (1992) 299-304 |
|
Silver-potassium cyclodecaphosphate decahydrate, |
|
Ag4K6P10O30.10H2O: a new example of a phosphoric 10-member ring anion |
|
_cod_database_code 1007220 |
|
_database_code_amcsd 0015902 |
|
14.267 7.305 10.319 105.38 101.03 87.51 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ag1 .05641 .30269 .44820 .0310 .0261 .0361 -.0013 .0135 .0037 |
|
Ag2 .85582 .79115 .83806 .0353 .0274 .0224 .0068 .0044 .0108 |
|
K1 .9061 .3866 .0538 .0304 .0220 .0166 .0008 .0050 .0032 |
|
K2 .2388 .6756 .6427 .0434 .0263 .0251 -.0013 .0018 .0082 |
|
K3 .5207 .7270 .1867 .0285 .0380 .0367 .0017 .0053 .0110 |
|
P1 -.0937 .3093 .6727 .0192 .0127 .0141 .0000 .0033 .0046 |
|
P2 -.0459 -.0597 .2020 .0221 .0131 .0131 .0005 .0037 .0054 |
|
P3 .2144 .2049 .7364 .0247 .0156 .0170 .0007 .0082 .0031 |
|
P4 .2918 .1917 .4948 .0276 .0156 .0157 .0003 .0070 .0033 |
|
P5 .2713 .8281 .2826 .0210 .0164 .0164 -.0006 .0060 .0039 |
|
O1 .0746 .6466 .4527 .031 .025 .018 -.001 .008 .010 |
|
O2 .0370 .8796 .3120 .032 .015 .016 .006 -.001 .003 |
|
O3 .7981 .2346 .6308 .021 .029 .018 -.004 .004 .010 |
|
O4 .0798 .5412 .1958 .029 .015 .019 .001 .003 -.003 |
|
O5 -.0232 .1390 .2077 .039 .017 .024 .000 .006 .013 |
|
O6 .0623 .2102 .9291 .035 .022 .012 .002 .004 .002 |
|
O7 .1354 .0468 .7234 .023 .017 .028 .001 .011 .003 |
|
O8 .1690 .3873 .7251 .044 .016 .033 .007 .017 .005 |
|
O9 .7076 .8009 .1460 .028 .045 .024 -.003 .001 .007 |
|
O10 .7480 .9019 .4014 .044 .020 .023 .004 .021 .005 |
|
O11 .2116 .2807 .4182 .039 .038 .023 .014 .012 .016 |
|
O12 .3761 .3083 .5694 .043 .029 .027 -.011 .005 .002 |
|
O13 .2129 .8893 .1658 .041 .024 .015 -.001 .005 .006 |
|
O14 .6546 .3190 .7440 .029 .022 .028 .004 .011 .000 |
|
O15 .3258 .0051 .3967 .022 .016 .023 -.002 .007 .001 |
|
O16 .6971 .6965 .8673 .048 .028 .034 -.004 .013 .002 |
|
O17 .5535 .340 .0924 .068 .047 .049 .011 .021 .017 |
|
O18 .7233 .1437 .0722 .058 .035 .021 .009 .009 .007 |
|
O19 .5867 .3375 .4548 .049 .040 .052 .003 .006 .019 |
|
O20 .4706 .1086 .2226 .058 .041 .060 .004 .020 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H12 Na8 O30 P8 |
| |
Schuelke U, Averbuch-Pouchot M, Durif A |
| |
Journal of Solid State Chemistry 98 (1992) 213-218 |
|
Crystal structure of sodium cyclooctaphosphate hexahydrate, |
|
Na8P8O24 . 6H2O |
|
_cod_database_code 1007209 |
|
_database_code_amcsd 0013736 |
|
6.622 10.031 11.250 104.06 101.21 90.88 P-1 |
|
atom x y z |
|
P1 .5972 .2260 .8110 |
|
P2 .6811 .3570 .0881 |
|
P3 .9672 .2443 .2610 |
|
P4 .7811 -.0188 .6984 |
|
Na1 .2514 -.0269 .5870 |
|
Na2 .0804 .2855 .7643 |
|
Na3 .4936 .3408 .3648 |
|
Na4 .1851 .4392 .1073 |
|
O1 .2672 .6684 .2128 |
|
O2 .4382 .7324 .0478 |
|
O3 .2760 .9088 .1836 |
|
O4 .6101 .8144 .2704 |
|
O5 .8224 .2379 .1274 |
|
O6 .8170 .4718 .0769 |
|
O7 .5238 .3848 .1666 |
|
O8 .1261 .3614 .2918 |
|
O9 .8409 .2343 .3552 |
|
O10 .0684 .1013 .2168 |
|
O11 .0933 .9485 .3683 |
|
O12 .4045 .1065 .3743 |
|
O13 .8598 .7896 .0390 |
|
O14 .9666 .6119 .4026 |
|
O15 .5369 .5917 .4235 |
|
H1 .06 .144 .960 |
|
H2 .25 .18 -.017 |
|
H3 .02 .65 .490 |
|
H4 .03 .554 .380 |
|
H5 .45 .612 .364 |
|
H6 .62 .61 .40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H38 N8 O27 P8 |
| |
Schuelke U, Averbuch-Pouchot M, Durif A |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 374-380 |
|
Preparation and crystal structure of ammonium cyclooctaphosphate |
|
trihydrate: (NH4)8P8O24 . 3H2O |
|
_cod_database_code 1007215 |
|
_database_code_amcsd 0015900 |
|
24.268 6.700 20.586 90 112.06 90 Cc |
|
atom x y z |
|
N1 .3644 .1546 .6592 |
|
N2 .0495 .8131 .7153 |
|
N3 .1395 .6541 .3315 |
|
N4 .4562 .3020 .2820 |
|
N5 .4246 .1904 .4859 |
|
N6 .0861 .6735 .5065 |
|
N7 .2548 .7330 .6123 |
|
N8 .2521 .2833 .4147 |
|
P1 .48425 .1852 .87037 |
|
P2 .37228 .3556 .86109 |
|
P3 .31915 .2125 .95805 |
|
P4 .40335 .6310 .58983 |
|
P5 .51571 .8316 .62621 |
|
P6 .12279 .1327 .63137 |
|
P7 .18380 .2480 .54069 |
|
P8 .59712 .3805 .90464 |
|
O1 .4788 .7786 .2973 |
|
O2 .4745 .9810 .8926 |
|
O3 .4442 .3454 .8912 |
|
O4 .3475 .7223 .2889 |
|
O5 .3566 .5591 .8761 |
|
O6 .3596 .1960 .9118 |
|
O7 .3268 .9830 .4950 |
|
O8 .2598 .2898 .9161 |
|
O9 .3528 .6140 .5129 |
|
O10 .3788 .7331 .6370 |
|
O11 .4293 .4298 .6091 |
|
O12 .4498 .7731 .5742 |
|
O13 .0230 .2924 .7003 |
|
O14 .0292 .5309 .6045 |
|
O15 .0524 .1645 .6031 |
|
O16 .1506 .2077 .7044 |
|
O17 .1342 .9239 .6164 |
|
O18 .1400 .2838 .5812 |
|
O19 .2392 .1473 .5860 |
|
O20 .1866 .4434 .5074 |
|
O21 .1472 .0898 .4817 |
|
O22 .5733 .5834 .8799 |
|
O23 .6205 .2576 .8616 |
|
O24 .5486 .2557 .9242 |
|
O25 .3337 .1481 .2622 |
|
O26 .1950 .182 .2747 |
|
O27 .2385 .4961 .7193 |
|
H1 .363 .18 .693 |
|
H2 .376 .04 .658 |
|
H3 .387 .23 .644 |
|
H4 .325 .17 .633 |
|
H5 .084 .18 .234 |
|
H6 .024 .23 .236 |
|
H7 .048 .73 .684 |
|
H8 .049 .96 .708 |
|
H9 .174 .69 .351 |
|
H10 .135 .68 .291 |
|
H11 .115 .72 .741 |
|
H12 .127 .54 .338 |
|
H13 .475 .70 .752 |
|
H14 .460 .23 .319 |
|
H15 .955 .95 .293 |
|
H16 .412 .73 .762 |
|
H17 .401 .27 .455 |
|
H18 .439 .23 .525 |
|
H19 .438 .10 .466 |
|
H20 .389 .09 .484 |
|
H21 .099 .77 .541 |
|
H22 .114 .59 .509 |
|
H23 .061 .62 .509 |
|
H24 .063 .73 .468 |
|
H25 .249 .69 .635 |
|
H26 .236 .86 .603 |
|
H27 .290 .73 .617 |
|
H28 .235 .67 .563 |
|
H29 .272 .19 .443 |
|
H30 .210 .23 .399 |
|
H31 .275 .37 .400 |
|
H32 .237 .36 .426 |
|
H33 .325 .06 .279 |
|
H34 .336 .23 .293 |
|
H35 .190 .09 .239 |
|
H36 .199 .32 .25 |
|
H37 .209 .38 .717 |
|
H38 .273 .45 .75 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H36 K2 Mn4 O48 P10 |
| |
Schuelke U, Averbuch-Pouchot M |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 545-550 |
|
Preparation and crystal structure of potassium manganese |
|
cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O |
|
_cod_database_code 1008657 |
|
_database_code_amcsd 0016545 |
|
14.546 15.211 9.860 90 105.12 90 P2_1/a |
|
atom x y z |
|
Mn1 .32058 .63988 .03090 |
|
Mn2 .17788 .88451 .49366 |
|
K1 .59708 .36865 .55330 |
|
P1 .76077 .64925 .94095 |
|
P2 .90697 .05421 .22483 |
|
P3 .10547 .02369 .22334 |
|
P4 .05089 .83721 .18361 |
|
P5 .24815 .79682 .21652 |
|
O1 .6514 .6263 .8780 |
|
O2 .2725 .8635 .1050 |
|
O3 .2720 .7571 .9072 |
|
O4 .1779 .4174 .1015 |
|
O5 .5074 .4241 .1961 |
|
O6 .3758 .5358 .1794 |
|
O7 .5895 .5769 .6278 |
|
O8 .9248 .0664 .8602 |
|
O9 .8337 .9270 .8487 |
|
O10 .8579 -.0067 .6235 |
|
O11 .3638 .2808 .8469 |
|
O12 .9439 .1661 .6636 |
|
O13 .4639 .6944 .0812 |
|
O14 .2969 .7124 .2118 |
|
O15 .2649 .8457 .3505 |
|
O16 .3246 .0855 .0144 |
|
O17 .0003 .6717 .8988 |
|
O18 .8059 .5564 .6212 |
|
O19 .2892 .2581 .3984 |
|
O20 .8746 .4858 .3149 |
|
O21 .8153 .3809 .572 |
|
O22 .0434 .2838 .3970 |
|
O23 .9838 .409 .766 |
|
O24 .483 .095 .505 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H84 N36 O42 P12 |
| |
Schuelke U, Averbuch-Pouchot M |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1232-1236 |
|
Preparation and crystal structure of guanidinium cyclododecaphosphate |
|
hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O) |
|
_cod_database_code 1008710 |
|
_database_code_amcsd 0016595 |
|
15.904 15.904 16.67 90 90 120 P6_3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P1 .60207 -.00418 .5 .0319 .0335 .0336 .0164 -.0004 -.00015 |
|
P2 .97813 .41509 .48548 .0309 .0309 .0328 .0152 .0020 .0024 |
|
P3 .91962 .26897 .6167 .0329 .0302 .0304 .0154 -.0004 -.0006 |
|
P4 .79627 .07155 .5618 .0337 .0295 .0477 .0170 -.0021 .0002 |
|
O1 .5657 -.1040 .5298 .045 .035 .054 .015 -.004 -.002 |
|
O2 .6033 .6211 .9129 .066 .065 .033 .020 .001 .008 |
|
O3 .5033 .4682 .5311 .037 .037 .038 .011 -.005 .005 |
|
O4 .6254 .6960 .0496 .039 .034 .056 .014 .007 -.006 |
|
O5 .0721 .4619 .4420 .040 .045 .047 .019 .009 .002 |
|
O6 .3519 .4648 .9409 .047 .056 .047 .032 .003 .010 |
|
O7 .0106 .6413 .0601 .035 .033 .043 .013 .005 -.009 |
|
O8 .1572 .7168 .1530 .049 .057 .062 .032 -.014 .000 |
|
O9 .2673 .0149 .6697 .051 .057 .036 .030 .012 .013 |
|
O10 .1847 .3129 .0499 .032 .051 .024 .0212 -.002 .001 |
|
O11 .8127 .0212 .4951 .055 .052 .072 .033 -.015 -.023 |
|
O12 .2416 .1975 .6455 .059 .063 .059 .030 .020 -.006 |
|
O13 .2081 .8128 .6450 .071 .046 .084 .016 -.024 .000 |
|
O14 .1458 .3430 .8452 .369 .125 .321 .153 .296 .125 |
|
C1 2/3 1/3 .4787 .042 .042 .035 .042 0 0 |
|
C2 0 0 .1463 .045 .045 .034 .045 0 0 |
|
C3 2/3 1/3 .9726 .036 .036 .027 .036 0 0 |
|
C4 .8507 .4723 .7520 .050 .048 .027 .025 .001 .004 |
|
C5 .4189 .5626 .7328 .070 .068 .036 .042 -.008 -.005 |
|
C6 .8586 .0572 .8580 .065 .082 .043 .037 -.007 .002 |
|
N1 .2625 .5773 .9795 .045 .041 .076 .016 .001 .003 |
|
N2 .9699 .9061 .1459 .046 .038 .074 .020 -.005 .004 |
|
N3 .2964 .7250 .4738 .042 .042 .059 .022 .005 .005 |
|
N4 .5535 .3669 .6785 .069 .051 .033 .019 .003 -.010 |
|
N5 .5369 .157 .7881 .060 .081 .038 .039 .002 .006 |
|
N6 .8520 .5477 .7867 .097 .057 .047 .043 -.017 -.005 |
|
N7 .4220 .5896 .6565 .077 .064 .038 .025 -.002 .002 |
|
N8 .3535 .4758 .7574 .085 .078 .045 .038 .000 .012 |
|
N9 .6290 .1423 .2796 .081 .129 .061 .027 -.009 .042 |
|
N10 .1357 -.0309 .4328 .077 .072 .039 .006 .009 -.005 |
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N11 .2363 .0880 .8366 .099 .087 .055 .050 .009 -.007 |
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N12 .2037 .0097 .3073 .111 .111 .043 .063 .025 .018 |
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H1 .529 .260 .483 |
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H2 .200 .563 .979 |
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H3 .116 .128 .159 |
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H4 .130 .039 .140 |
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H5 .235 .694 .478 |
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H6 .206 .547 .457 |
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H7 .188 .607 .162 |
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H8 .223 .523 .161 |
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H9 .558 .117 .843 |
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H10 .127 .641 .271 |
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H11 .574 .692 .336 |
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H12 .595 .754 .256 |
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H13 .647 .175 .132 |
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H14 .536 .155 .132 |
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H15 .439 .131 .225 |
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H16 .451 .106 .296 |
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H17 .507 .394 .339 |
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H18 .483 .309 .255 |
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H19 .164 .029 .438 |
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H20 .063 .157 .457 |
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H21 .192 .234 .366 |
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H22 .178 .225 .274 |
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H23 .012 .211 .262 |
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H24 .262 .094 .332 |
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H25 .214 .869 .633 |
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H26 .168 .787 .618 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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H192 N36 O132 P12 Te12 |
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Averbuch-Pouchot M, Schuelke U |
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Zeitschrift fur Anorganische und Allgemeine Chemie 622 (1996) 1997-2002 |
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Preparation and crystal structure of guanidinium cyclododecaphosphate |
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telluric acid hydrate: (C (N H2)2)12 P12 O36. 12Te (O H)6 . 24H2 O |
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_cod_database_code 1008859 |
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_database_code_amcsd 0016725 |
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15.854 15.854 51.259980000 90 90 120 R-3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Te1 .00006 .33201 .22684 .0175 .0168 .0201 .0088 .0010 -.0002 |
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Te2 .99969 .33401 .42689 .0146 .0159 .0240 .0077 .0000 .0010 |
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P1 .4266 .0224 .31011 .0196 .0217 .023 .0108 -.0027 -.0021 |
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P2 .3001 .1052 .31901 .0187 .0232 .029 .0100 -.0015 -.0046 |
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O1 .4380 .4221 .4618 .016 .011 .027 .004 -.009 -.002 |
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O2 .3553 .4481 .4199 .040 .023 .029 .022 -.001 .003 |
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O3 .4246 .3155 .4205 .029 .037 .042 .015 .018 -.011 |
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O4 .5581 .5813 .2058 .036 .028 .034 .014 -.005 .003 |
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O5 .0922 .3163 .2060 .028 .038 .035 .023 .002 -.003 |
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O6 .0839 .6442 .0854 .041 .050 .041 .035 .002 .004 |
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O7 .5538 .6180 .1151 .021 .029 .031 .013 .010 .009 |
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O8 .2722 .0530 .4059 .054 .029 .033 .023 -.006 .005 |
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O9 .0565 .2738 .1151 .021 .023 .040 .008 -.007 -.001 |
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O10 .2779 .2241 .2157 .036 .026 .051 .020 -.028 -.022 |
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O11 .6070 .5506 .4066 .031 .015 .049 .014 -.015 -.011 |
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O12 -.0678 .3845 .0745 .015 .036 .047 .011 -.011 .005 |
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O13 .6292 .0687 .3502 .019 .026 .066 .009 .000 -.003 |
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O14 .5561 .4890 .2923 .035 .013 .024 .007 -.008 -.003 |
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O15 .3307 .4018 .0319 .030 .019 .039 .003 -.004 -.008 |
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O16 .4357 .5048 .3747 .071 .048 .043 .037 .034 .008 |
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O17 .1330 .4308 .0056 .065 .042 .076 .034 -.015 -.023 |
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O18 .3404 .2162 .3281 .042 .027 .029 .022 .004 -.001 |
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O19 .1435 .4993 .1651 .041 .059 .020 .033 .000 -.004 |
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O20 .5052 .3589 .5016 .039 .028 .047 .013 -.004 .003 |
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O21 .4797 .1713 .4982 .051 .042 .036 .016 .003 .014 |
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O22 .1911 .3226 .3043 .042 .058 .050 .026 .002 -.012 |
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N1 .2381 .6300 .2332 .024 .050 .11 .018 .005 -.001 |
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N2 .5730 .2931 .2300 .033 .038 .065 .021 -.004 -.001 |
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N3 .3775 .6145 .0310 .62 |
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N4 .357 .596 .2984 .38 |
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N5 .0584 .0973 .2290 .038 .008 .103 .005 -.006 -.001 |
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N6 .070 .096 .2975 .11 .064 .059 -.031 .007 -.005 |
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N7 -.020 .070 .0387 .41 |
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N8 .573 .313 .3044 .38 |
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N9 .614 .248 .3767 .21 |
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C1 0 0 .4341 .023 .023 .07 .0115 0 0 |
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C2 0 0 .1015 .034 .034 .06 .017 0 0 |
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C3 0 0 .3674 .031 .031 .05 .0155 0 0 |
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C4 0 0 .2295 .010 .010 .025 .005 0 0 |
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C5 0 0 .2983 .015 .015 .11 .0075 0 0 |
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C6 0 0 .0346 .038 .038 .016 .019 0 0 |
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H1 .39 .11 .194 |
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H2 .41 .29 .070 |
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H3 .408 .291 .403 |
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H4 .06 .460 .191 |
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H5 .26 .39 .476 |
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H6 .34 .42 .071 |
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H7 .03 .48 .117 |
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H8 .41 .45 .275 |
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H9 .47 .45 .217 |
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H10 .30 .18 .218 |
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H11 .31 .10 .063 |
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H12 -.02 .43 .059 |
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H13 .45 .68 .098 |
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H14 .57 .36 .761 |
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H15 0 .13 .103 |
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H16 .130 .100 .102 |
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H17 .127 .120 .232 |
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H18 .02 .13 .237 |
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H19 .12 .48 .151 |
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H20 .15 .01 .495 |
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H21 .139 .497 .484 |
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H22 .18 .495 .5 |
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H23 .01 .21 .150 |
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H24 .54 .17 .499 |
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H25 .69 .87 .363 |
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H26 .63 .88 .312 |
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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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