|
Uranophane-beta |
 |
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Verin I A |
| |
Crystallography Reports 48 (2003) 12-15 |
|
Crystal structure of beta-uranophane from the Transbaikal region |
|
and its relation to the structure of the a modification |
|
Locality: Streltsovkii ore field, Transbaikal region, Russia |
|
_database_code_amcsd 0018695 |
|
13.947 15.465 6.626 90 91.300 90 P2_1/a |
|
atom x y z Biso |
|
Ca .1902 .4856 .2826 1.30 |
|
U(1) .0192 .2601 .2627 1.09 |
|
U(2) .2315 .7395 .4708 .96 |
|
Si(1) .0187 .2230 .7297 .73 |
|
Si(2) .2670 .1945 .0636 .56 |
|
O(1) .2652 .3523 .4927 1.00 |
|
O(2) .9920 .1491 .2347 1.62 |
|
O(3) .7321 .8741 .4401 .90 |
|
O(4) .0441 .3724 .2893 1.7 |
|
O(5) .1794 .2234 .2114 .98 |
|
O(6) .8923 .7639 .4197 1.37 |
|
O(7) .3579 .2045 .2200 1.23 |
|
O(8) .5684 .7492 .4260 1.30 |
|
O(9) .9795 .7189 .0718 1.12 |
|
O(10) .7271 .7468 .1343 .99 |
|
OH(1) .9857 .8807 .2099 1.7 |
|
OH(2) .7414 .9074 .0016 1.9 |
|
Wat(1) .5426 .9459 .1656 2.3 |
|
Wat(2) .3609 .4906 .3296 3.1 |
|
Wat(3) .8044 .5927 .0255 2.5 |
|
Wat(4) .8770 .4992 .3770 2.2 |
|
Wat(5) .1303 .0064 .2371 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Uranophane-beta |
|
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Verin I A |
| |
Crystallography Reports 48 (2003) 12-15 |
|
Crystal structure of beta-uranophane from the Transbaikal region and |
|
its relation to the structure of the alpha modification |
|
Locality: Transbaikal region, Russia |
|
_database_code_amcsd 0018734 |
|
13.947 15.465 6.626 90 91.399 90 P2_1/a |
|
atom x y z Biso |
|
Ca .1902 .4856 .2826 1.30 |
|
U1 .0192 .2601 .2627 1.09 |
|
U2 .2315 .7395 .4708 .96 |
|
Si1 .0187 .2230 .7297 .73 |
|
Si2 .2670 .1945 .0636 .56 |
|
O1 .2652 .3523 .4927 1.00 |
|
O2 .9920 .1491 .2347 1.62 |
|
O3 .7321 .8741 .4401 .90 |
|
O4 .0441 .3724 .2893 1.7 |
|
O5 .1794 .2234 .2114 .98 |
|
O6 .8923 .7639 .4197 1.37 |
|
O7 .3579 .2045 .2200 1.23 |
|
O8 .5684 .7492 .4260 1.30 |
|
O9 .9795 .7189 .0718 1.12 |
|
O10 .7271 .7468 .1343 .99 |
|
OH1 .9857 .8807 .2099 1.7 |
|
OH2 .7414 .9074 .0016 1.9 |
|
Wat1 .5426 .9459 .1656 2.3 |
|
Wat2 .3609 .4906 .3296 3.1 |
|
Wat3 .8044 .5927 .0255 2.5 |
|
Wat4 .8770 .4992 .3770 2.2 |
|
Wat5 .1303 .0064 .2371 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Surkhobite |
| |
Rozenberg K A, Rastsvetaeva R K, Verin I A |
| |
Crystallography Reports 48 (2003) 384-389 |
|
Crystal structure of surkhobite - new mineral from |
|
the family of titanosilicate micas |
|
Locality: Darai-Piez alkali massif, central Tajikistan |
|
_database_code_amcsd 0012384 |
|
10.723 13.826 20.791 90 95.00 90 C2 |
|
atom x y z occ Uiso |
|
Na1 0 .523 .5 .8 .034 |
|
Ca1 0 .523 .5 .2 .034 |
|
Na2 0 .023 .5 .8 .031 |
|
Ca2 0 .023 .5 .2 .031 |
|
Ca .2503 .776 -.0006 .0254 |
|
K 0 .5658 0 .7 .0384 |
|
Ba 0 .5658 0 .3 .0384 |
|
Ba1 0 .0265 0 .0146 |
|
Ba2 .7501 .7725 .5005 .0360 |
|
Mn1 .8742 .0244 .2544 .0133 |
|
Mn2 .8769 .5248 .2559 .0132 |
|
Mn3 .1225 .4000 .2503 .7 .0148 |
|
Na3 .1225 .4000 .2503 .3 .0148 |
|
Mn4 .1229 .6512 .2497 .0148 |
|
Fe1 .8751 .2737 .2442 .0119 |
|
Fe2 .8745 .7771 .2444 .0120 |
|
Fe3 .1249 .9043 .2471 .0162 |
|
Fe4 .1238 .1512 .2478 .0116 |
|
Ti1 .7333 .0427 .3997 .0284 |
|
Ti2 .7330 .5446 .3981 .0216 |
|
Ti3 .0167 .2570 .1009 .6 .0162 |
|
Zr3 .0167 .2570 .1009 .4 .0162 |
|
Ti4 .0160 .7960 .1005 .6 .0175 |
|
Nb4 .0160 .7960 .1005 .4 .0175 |
|
Si1 .9793 .1647 .3806 .0118 |
|
Si2 .9810 .6660 .3802 .0134 |
|
Si3 .2574 .4187 .1195 .0115 |
|
Si4 .2852 .9181 .1195 .0097 |
|
Si5 .2819 .1350 .1199 .0128 |
|
Si6 .2553 .6349 .1188 .0120 |
|
Si7 .9796 .3838 .3810 .0144 |
|
Si8 .9793 .8849 .3797 .0160 |
|
O1 .9693 .3924 .3062 .024 |
|
O2 .2789 .4054 .1981 .013 |
|
O3 .9631 .1543 .3042 .016 |
|
O4 .2780 .6487 .1977 .013 |
|
O5 .2888 .1495 .1988 .013 |
|
O6 .1404 .9009 .0868 .005 |
|
O7 .3887 .4006 .0843 .006 |
|
O8 .9638 .6565 .3025 .013 |
|
O9 .2887 .9044 .1979 .013 |
|
O10 .9622 .8972 .3035 .017 |
|
O11 .3786 .2045 .0842 .008 |
|
O12 .7193 .026 .3143 .030 |
|
O13 .0290 .7885 .1870 .014 |
|
O14 .1492 .7043 .0867 .009 |
|
O15 .0271 .2629 .1892 .015 |
|
O16 .7204 .522 .3127 .030 |
|
O17 .3248 .0214 .1016 .005 |
|
O18 .862 .643 .4122 .048 |
|
O19 .6036 .946 .4124 .054 |
|
O20 .1068 .646 .4156 .057 |
|
O21 .8639 .913 .4142 .065 |
|
O22 .3776 .8466 .0878 .011 |
|
O23 .870 .112 .4163 .087 |
|
O24 .1081 .146 .4137 .048 |
|
O25 .6027 .447 .4116 .048 |
|
O26 .1507 .3449 .0860 .013 |
|
O27 .1390 .1482 .08 .013 |
|
O28 .8715 .441 .4121 .062 |
|
O29 .2092 .5253 .0995 .011 |
|
O30 .0408 .275 .3971 .061 |
|
O31 .0416 .774 .4032 .060 |
|
O32 .3867 .6480 .0894 .013 |
|
OH1 .0381 .524 .2076 .023 |
|
OH2 0 .2462 0 .014 |
|
OH3 0 .8019 0 .0076 |
|
F1 .0349 .023 .2052 .036 |
|
F2 .213 .7778 .2947 .032 |
|
F3 .7499 .0086 .5008 .025 |
|
F4 .7102 .7751 .2921 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Golyshevite |
| |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A |
| |
Crystallography Reports 50 (2005) 539-543 |
|
Crystal structure of golyshevite |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012391 |
|
14.231 14.231 29.984 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaA1a .1094 .2188 .1557 .80 .0248 |
|
NaA1b .078 .156 .1734 .20 .015 |
|
NaA2a .5658 .4342 .1754 .89 .0308 |
|
NaA2b .549 .098 .179 .11 .039 |
|
CaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3b .228 .114 .2769 .29 .023 |
|
CaA4a .4528 .2264 .0504 .80 .0261 |
|
NaA4b .491 .245 .036 .10 .023 |
|
KA4b .491 .245 .036 .10 .023 |
|
Na5 .191 .595 .152 .32 .043 |
|
Zr .3324 .1662 .1668 .0180 |
|
Ca .0010 .2608 .0001 .983 .0119 |
|
Ce .0010 .2608 .0001 .017 .0119 |
|
Fe1 .5195 .4805 -.0021 .56 .0166 |
|
Fe2 .0492 .5246 .0033 .17 .0137 |
|
Mn2 .0492 .5246 .0033 .10 .0137 |
|
NbM3a 1/3 2/3 .2890 .18 .022 |
|
AlM3a 1/3 2/3 .2890 .08 .022 |
|
SiM3b 1/3 2/3 .2464 .50 .016 |
|
NbM4a 1/3 2/3 .0410 .39 .0194 |
|
SiM4b 1/3 2/3 .092 .16 .017 |
|
Si1 .5258 .2629 .2502 .011 |
|
Si2 -.0055 .6038 .0970 .0134 |
|
Si3 .2065 .4130 .0770 .018 |
|
Si4 .0872 .5436 .2589 .017 |
|
Si5 .0585 .3282 .2361 .0133 |
|
Si6 .1400 .0700 .0817 .013 |
|
O1 .4816 .2408 .1998 .031 |
|
O2 .2575 .0309 .2089 .034 |
|
O3 .3991 .3006 .1263 .029 |
|
O4 .6061 .3939 .2554 .020 |
|
O5 .4322 .2161 .2875 .016 |
|
O6 .4128 .0347 .0446 .028 |
|
O7 .0987 .3761 .1076 .026 |
|
O8 .0180 .5090 .1149 .029 |
|
O9 .2734 .5468 .0729 .044 |
|
O10 .1828 .3656 .0278 .019 |
|
O11 .0324 .5162 .3061 .023 |
|
O12 .1760 .3520 .2179 .026 |
|
O13 .0471 .3028 .2886 .024 |
|
O14 .3889 .4302 .2277 .028 |
|
O15 .3937 .6063 .2535 .034 |
|
O16 .0628 .1256 .0771 .026 |
|
O17 .1912 .0956 .1302 .028 |
|
O18 .2250 .1125 .0428 .021 |
|
C1 2/3 1/3 .108 .55 .026 |
|
C2 2/3 1/3 .083 .45 .022 |
|
Oc1 .612 .388 .108 .55 .053 |
|
Oc2 .6141 .3859 .0869 .45 .067 |
|
OH1 .265 .530 .324 .33 .030 |
|
OH2 .212 .606 .002 .39 .029 |
|
OH3 1/3 2/3 .145 .16 .064 |
|
OH4 1/3 2/3 .192 .50 .065 |
|
Cl 0 0 .2412 .29 .028 |
|
Wat1 0 0 .263 .24 .034 |
|
Wat2 0 0 .293 .23 .029 |
|
Wat3 0 0 .179 .24 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tashelgite |
| |
Rastsvetaeva R K, Aksenov S M, Verin I A |
| |
Crystallography Reports 55 (2010) 563-568 |
|
Crystal structure of complex natural aluminum magnesium calcium iron oxide |
|
Locality: Tashelga River, Western Siberia, Russia |
|
_database_code_amcsd 0018315 |
|
5.6973 17.1823 23.5718 90 90.0 90 Pc |
|
atom x y z Biso |
|
Al1 .951 .1671 .0342 .78 |
|
Al2 .460 .1678 .0341 .65 |
|
Al3 .952 .2859 .6478 1.1 |
|
Al4 .457 .2862 .6494 .40 |
|
Al5 .698 .2470 .4475 .43 |
|
Al6 .447 .1088 .4790 .69 |
|
Al7 .951 .1116 .4801 .7 |
|
Al8 .450 .4428 .0864 .45 |
|
Al9 .955 .4427 .0855 .92 |
|
Al10 .217 .4717 .8825 .64 |
|
Al11 .704 .1940 .8320 1.6 |
|
Al12 .207 .4242 .6154 .86 |
|
Al13 .953 .3868 .4129 1.0 |
|
Al14 .455 .3898 .4144 1.0 |
|
Al15 .702 .3055 .0634 .54 |
|
Al16 .202 .0791 .2796 1.3 |
|
Al17 .199 .0303 .0070 1.1 |
|
Al18 .965 .2145 .2464 1.0 |
|
Al19 .446 .2146 .2451 1.7 |
|
Al20 .954 .0599 .8084 1.2 |
|
Al21 .946 .3274 .8576 1.4 |
|
Al22 .451 .0545 .8081 1.8 |
|
Al23 .446 .3330 .8592 1.3 |
|
Al24 .204 .4729 .4995 .7 |
|
Al25 .701 .1982 .5651 .7 |
|
Al26 .713 .2528 .9489 1.0 |
|
Al27 .707 .3031 .3289 1.6 |
|
Al28 .196 .0278 .3952 1.6 |
|
Al29 .703 .4504 .6819 1.1 |
|
Al30 .701 .5087 .3176 .4 |
|
Al31 .701 .0041 .0751 .9 |
|
Al32 .713 .0521 .2156 1.3 |
|
Al33 .188 .2153 .7664 .6 |
|
Al34 .206 .2789 .1272 .4 |
|
Al35 .192 .1233 .6050 .7 |
|
Al36 .203 .3744 .2862 .8 |
|
Fe1 .200 .2812 .5172 1.17 |
|
Fe2 .702 .0547 .9351 1.55 |
|
Fe3 .705 .1103 .3513 1.32 |
|
Fe4 .209 .3315 .9867 1.78 |
|
Mg1 .211 .1683 .9078 1.0 |
|
Mg2 .698 .3884 .5456 .3 |
|
Mg3 .200 .2190 .3744 .4 |
|
Mg4 .705 .4434 .9588 .3 |
|
Ca1 .197 .4165 .7514 2.4 |
|
Ca2 .209 .0841 .1430 .6 |
|
Ca3 .702 .3742 .2009 1.3 |
|
Ca4 .705 .1281 .6947 1.4 |
|
O1 .943 .3403 .1170 .2 |
|
O2 .673 .2015 .0839 .2 |
|
O3 .204 .4706 .1342 .6 |
|
O4 .212 .0874 .5364 2.0 |
|
O5 .460 .3375 .1134 2.1 |
|
O6 .728 .0870 .5323 .2 |
|
O7 .227 .2418 .1940 1.7 |
|
O8 .446 .3932 .6691 .9 |
|
O9 .214 .1979 .0838 1.1 |
|
O10 .955 .1807 .6175 .3 |
|
O11 .983 .3948 .6680 1.1 |
|
O12 .207 .2646 .6968 1.0 |
|
O13 .708 .4740 .1334 1.6 |
|
O14 .213 .3157 .5992 .6 |
|
O15 .477 .1766 .6170 .8 |
|
O16 .705 .1478 .9840 1.1 |
|
O17 .197 .3717 .4666 1.2 |
|
O18 .209 .1413 .9854 .9 |
|
O19 .720 .3610 .4673 .7 |
|
O20 .429 .0092 .4533 1.2 |
|
O21 .188 .1308 .4290 1.4 |
|
O22 .730 .089 .851 3.7 |
|
O23 .205 .4242 .0306 1.0 |
|
O24 .696 .4095 .0391 1.3 |
|
O25 .727 .3461 .9150 .8 |
|
O26 .432 .4502 .5546 .7 |
|
O27 .930 .219 .506 3.1 |
|
O28 .713 .2959 .5986 1.2 |
|
O29 .213 .3701 .9067 1.9 |
|
O30 .692 .1994 .2999 1.0 |
|
O31 .424 .0493 .3358 1.1 |
|
O32 .973 .4374 .8358 1.8 |
|
O33 .199 .0777 .8682 4.3 |
|
O34 .453 .4413 .8352 .5 |
|
O35 .960 .1626 .7829 .7 |
|
O36 .983 .0076 .4536 .6 |
|
O37 .225 .3048 .8124 1.3 |
|
O38 .503 .2164 .5043 2.2 |
|
O39 .923 .2699 .0041 .5 |
|
O40 .473 .1664 .7860 2.1 |
|
O41 .929 .2931 .3920 .9 |
|
O42 .445 .0682 .0564 .3 |
|
O43 .697 .4990 .2445 2.4 |
|
O44 .722 .0292 .7596 .5 |
|
O45 .20 .182 .298 9.0 |
|
O46 .728 .4145 .3545 .7 |
|
O47 .992 .0439 .3403 1.0 |
|
O48 .983 .4514 .5587 2.2 |
|
O49 .466 .2781 .0076 .7 |
|
O50 .717 .2981 .8106 1.0 |
|
O51 .714 1.0004 .1488 1.5 |
|
O52 .478 .2816 .3869 .4 |
|
O53 .966 .0542 .0607 1.4 |
|
O54 .929 .2269 .8917 1.2 |
|
O55 .215 .4209 .3590 1.1 |
|
O56 .728 .1369 .4331 1.0 |
|
O57 .433 .5026 .9384 1.2 |
|
O58 .957 .3212 .2762 1.5 |
|
O59 .996 .493 .4394 2.3 |
|
O60 .477 .224 .8899 4.5 |
|
O61 .171 .0275 .7635 .8 |
|
O62 .468 .3165 .2728 1.4 |
|
O63 .957 .1025 .2243 1.0 |
|
O64 .471 .1058 .2225 1.4 |
|
OH1 .213 .0485 .6547 1.0 |
|
OH2 .231 .4438 .2294 5.1 |
|
OH3 .727 .2625 .7011 1.0 |
|
OH4 .682 .2341 .1992 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tsepinite-K |
| |
Rosenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V, Verin I A |
| |
Doklady Akademii Nauk SSSR 393 (2003) 784-787 |
|
Crystal structure of Sr-rich tsepinite |
|
_database_code_amcsd 0012497 |
|
14.490 14.23 7.881 90 117.28 90 Cm |
|
atom x y z occ Uiso |
|
K .499 .191 -.006 .21 .033 |
|
Na .452 .141 .825 .10 .014 |
|
Ca .452 .141 .825 .10 .014 |
|
Ti1 .0000 .2406 .5000 .7 .0249 |
|
Nb1 .0000 .2406 .5000 .3 .0249 |
|
Ti2 .2427 .2477 .4825 .7 .0296 |
|
Nb2 .2427 .2477 .4825 .3 .0296 |
|
Sr1 .0006 .0 .473 .20 .018 |
|
Sr2 .246 .0 .486 .14 .027 |
|
Sr3 .9206 .2401 -.004 .15 .038 |
|
Si1 .1991 .1098 .7833 .010 |
|
Si2 .7979 .1105 .1978 .025 |
|
Si3 .3085 .1088 .2211 .019 |
|
Si4 .6846 .1110 .7467 .014 |
|
O1 .244 .1286 .008 .037 |
|
O2 .761 .132 .981 .058 |
|
O3 .2666 .1604 .700 .029 |
|
O4 .7263 .1741 .273 .039 |
|
O5 .0993 .2398 .389 .008 |
|
O6 .904 .236 .593 .061 |
|
O7 .198 0 .742 .087 |
|
O8 .776 0 .219 .028 |
|
O9 .4233 .158 .305 .051 |
|
O10 .5832 .1756 .691 .028 |
|
O11 .251 .132 .342 .052 |
|
O12 .7499 .1463 .646 .030 |
|
O13 .322 0 .250 .12 |
|
O14 .6545 0 .728 .012 |
|
O15 .0849 .1308 .661 .018 |
|
O16 .9204 .148 .309 .066 |
|
Ba1 .442 0 .696 .04 .075 |
|
Wat1 .442 0 .696 .34 .075 |
|
Ba2 .586 0 .268 .03 .055 |
|
Wat2 .586 0 .268 .11 .055 |
|
Ba3 .916 0 .666 .07 .049 |
|
Wat3 .916 0 .666 .31 .049 |
|
Wat4 .112 0 .311 .38 .059 |
|
Wat5 .546 .090 .149 .36 .044 |
|
Wat6 .001 .162 .012 .40 .061 |
|
Wat7 .480 .155 .973 .20 .040 |
|
Wat8 .475 .041 .778 .11 .048 |
|
Wat9 .979 .089 .86 .22 .031 |
|
Wat10 .588 .265 .990 .15 .025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Alloriite |
| |
Rastsvetaeva R K, Ivanova A G, Chukanov N V, Verin I A |
| |
Doklady Earth Sciences 415 (2007) 815-819 |
|
Crystal structure of alloriite |
|
Locality: Sabatino volcanic complex, Latium, Italy |
|
_database_code_amcsd 0012512 |
|
12.892 12.892 21.340 90 90 120 P31c |
|
atom x y z occ Biso |
|
Si1 .2506 -.0002 .4950 1.69 |
|
Si2 .9198 .5832 .3693 1.62 |
|
Si3 .0026 .2539 .2461 1.75 |
|
Si4 .9200 .5835 .1222 1.63 |
|
Al1 .7451 .9998 .9951 1.76 |
|
Al2 .0832 .4067 .8693 1.78 |
|
Al3 .0038 .7464 .7461 1.61 |
|
Al4 .0832 .4067 .6222 1.83 |
|
O1 .6587 .0028 .1846 2.9 |
|
O2 .0012 .3295 .1858 3.2 |
|
O3 .9972 .6576 .3106 3.1 |
|
O4 .0012 .3266 .3091 3.4 |
|
O5 .2247 .1059 .2468 2.8 |
|
O6 .6690 .0162 .4313 3.3 |
|
O7 .3344 .0127 .4364 3.4 |
|
O8 .6673 .0178 .0571 2.9 |
|
O9 .3384 .0145 .0525 3.1 |
|
O10 .1147 .2354 .0076 3.8 |
|
O11 .1146 .2371 .4873 4.7 |
|
O12 .1227 .2482 .2476 4.0 |
|
O13 .5426 .4614 .1227 4.2 |
|
O14 .4593 .5422 .8717 3.7 |
|
O15 .4502 .2318 .1293 2.7 |
|
O16 .4470 .2310 .3652 3.4 |
|
Ca1a .6667 .3334 .1400 .80 3.31 |
|
Ca1b .6667 .3334 .1048 .20 2.2 |
|
Ca2a .6667 .3334 .3581 .75 4.21 |
|
Ca2b .6667 .3334 .3276 .25 4.0 |
|
Ca3 0 0 .2059 .23 4.69 |
|
K .2174 .4341 .3732 .72 2.89 |
|
Na1 .2234 .4452 .3550 .28 1.0 |
|
Na2 .2190 .4376 .1246 2.5 |
|
Na3a .4958 .5132 .2463 .81 2.21 |
|
Na3b .478 .529 .2574 .19 2.8 |
|
Na4a -.0008 .4966 .4962 .80 2.44 |
|
Na4b .550 .487 -.008 .20 6.7 |
|
Na5 0 0 .2530 .77 4.7 |
|
Na6a 0 0 .4993 .75 4.4 |
|
Na6b 0 0 .443 .25 4.2 |
|
S1a .3334 .6667 .4675 .80 3.80 |
|
S1b .3334 .6667 .4847 .20 1.6 |
|
O1a.1 .214 .609 .4428 .68 3.7 |
|
O1b.1 .207 .603 .474 .32 3.7 |
|
O1.2 .6667 .3334 .046 .80 3.9 |
|
S2 .3334 .6667 .2473 .70 2.95 |
|
O2 .2132 .600 .2234 .70 3.5 |
|
S3a .3334 .6667 .0207 .75 2.97 |
|
O3a.1 .2070 .6032 .0405 4.75 |
|
O3a.2 .6667 .3334 .4493 .61 5.1 |
|
S3b .3334 .6667 .066 .25 2.5 |
|
O3b .3334 .6667 .136 .25 4.2 |
|
C .3334 .6667 .304 .31 3.9 |
|
Oc .236 .616 .297 .30 5.3 |
|
Wat1a 0 0 .3610 .75 3.5 |
|
Wat1b 0 0 .401 .25 4.3 |
|
Wat2a 0 0 .1217 .78 4.6 |
|
Wat2b .067 .046 .114 .22 3.6 |
|
Wat3 .611 .209 .240 .23 3.5 |
|
Cl .6667 .3334 .240 .17 4.96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
H6 Mg O16 S4 |
| |
Troyanov S, Merinov B, Verin I, Kemnitz E, Hass D |
| |
Kristallografiya 35 (1990) 852-855 |
|
Crystal structure of acid magnesium sulphate |
|
Mg:SO3(OH):2:SO2(OH)2:2 |
|
_cod_database_code 1100085 |
|
_database_code_amcsd 0018260 |
|
5.091 15.329 7.882 90 104.19 90 P2_1/c |
|
atom x y z |
|
Mg1 0 0 0 |
|
S1 .4219 .0845 .7652 |
|
S2 .1242 .8340 .7496 |
|
O1 .3841 .3220 .2244 |
|
O2 .2940 .4574 .0877 |
|
O3 .2961 .9396 .1900 |
|
O4 .7176 .9422 .1048 |
|
O5 .0224 .1082 .1641 |
|
O6 .2780 .6277 .1397 |
|
O7 .9316 .7304 .1338 |
|
O8 .6969 .2196 .1049 |
|
H1 .598 .264 .120 |
|
H2 .846 .760 .177 |
|
H3 .286 .506 .068 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
