|
Brandholzite |
 |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
 |
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
|
_database_code_amcsd 0002426 |
|
16.119 16.119 9.868 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 0 .0109 |
|
Sb2 2/3 1/3 -.08211 .0107 |
|
Sb3 1/3 2/3 .00883 .0104 |
|
Sb4 0 0 .49757 .0103 |
|
Sb5 2/3 1/3 .42305 .0101 |
|
Sb6 1/3 2/3 .50490 .0100 |
|
Sb7 .32739 -.00737 .47077 .0113 |
|
Sb8 .66781 .00662 .45371 .0108 |
|
Mg1 .33825 .00882 -.03108 .0142 |
|
Mg2 .66274 -.00884 -.04466 .0149 |
|
H21 .528 .297 .555 .037 |
|
H22 .575 .185 .328 .037 |
|
H23 .271 .513 .607 .037 |
|
H24 .360 .806 .375 .037 |
|
H25 .286 .096 .356 .037 |
|
H26 .429 .149 .558 .037 |
|
H27 .474 .025 .349 .037 |
|
H28 .363 -.110 .597 .037 |
|
H29 .221 -.145 .358 .037 |
|
H30 .198 -.046 .595 .037 |
|
H31 .568 .050 .573 .037 |
|
H32 .704 .145 .308 .037 |
|
H33 .812 .116 .572 .037 |
|
H34 .769 -.042 .356 .037 |
|
H35 .643 -.134 .581 .037 |
|
H36 .514 -.096 .366 .037 |
|
H01 .017 .099 -.187 .037 |
|
H02 .101 .100 .181 .037 |
|
H03 .573 .239 -.263 .037 |
|
H04 .672 .239 .085 .037 |
|
H05 .329 .571 .196 .037 |
|
H06 .337 .771 -.182 .037 |
|
H071 .330 .150 -.122 .037 |
|
H072 .339 .118 -.222 .037 |
|
H081 .464 .169 .074 .037 |
|
H082 .433 .104 .178 .037 |
|
H091 .447 .010 -.228 .037 |
|
H092 .495 .090 -.153 .037 |
|
H101 .349 -.089 .169 .037 |
|
H102 .363 -.126 .040 .037 |
|
H111 .233 -.101 -.250 .037 |
|
H112 .205 -.146 -.131 .037 |
|
H121 .178 -.023 .051 .037 |
|
H122 .228 -.003 .170 .037 |
|
H131 .529 .012 .042 .037 |
|
H132 .568 .009 .153 .037 |
|
H141 .671 .106 -.229 .037 |
|
H142 .687 .154 -.114 .037 |
|
H151 .818 .060 .089 .037 |
|
H152 .765 .087 .156 .037 |
|
H161 .775 .009 -.244 .037 |
|
H162 .795 -.045 -.155 .037 |
|
H171 .576 -.162 .086 .037 |
|
H172 .654 -.109 .165 .037 |
|
H181 .500 -.136 -.158 .037 |
|
H182 .552 -.107 -.250 .037 |
|
H19 .033 .132 .372 .037 |
|
H20 .156 .096 .599 .037 |
|
O1 .0335 .1144 -.1107 .0176 |
|
O2 .1132 .0835 .1123 .0186 |
|
O3 .5822 .2204 -.1939 .0172 |
|
O4 .6962 .2494 .0283 .0170 |
|
O5 .3049 .5543 .1205 .0175 |
|
O6 .3635 .7805 -.1021 .0176 |
|
O7 .3147 .0983 -.1531 .0241 |
|
O8 .4311 .1157 .0942 .0277 |
|
O9 .4532 .0333 -.1505 .0204 |
|
O10 .3626 -.0845 .0861 .0208 |
|
O11 .2517 -.1062 -.1534 .0226 |
|
O12 .2227 -.0206 .0869 .0223 |
|
O13 .5762 .0190 .0784 .0233 |
|
O14 .6914 .1107 -.1570 .0207 |
|
O15 .7782 .0775 .0751 .0195 |
|
O16 .7547 -.0277 -.1709 .0218 |
|
O17 .6328 -.1266 .0706 .0231 |
|
O18 .5524 -.0982 -.1673 .0281 |
|
O19 .0648 .1141 .3770 .0157 |
|
O20 .1135 .0411 .6127 .0166 |
|
O21 .5522 .2693 .5424 .0154 |
|
O22 .6218 .2189 .3076 .0173 |
|
O23 .2648 .5522 .6189 .0174 |
|
O24 .3946 .7809 .3844 .0160 |
|
O25 .2607 .0407 .3524 .0193 |
|
O26 .3740 .1100 .5807 .0166 |
|
O27 .4435 .0564 .3556 .0163 |
|
O28 .3965 -.0510 .5901 .0182 |
|
O29 .2803 -.1236 .3575 .0183 |
|
O30 .2117 -.0734 .5860 .0173 |
|
O31 .6215 .0747 .5732 .0177 |
|
O32 .7343 .1190 .3335 .0164 |
|
O33 .7842 .0595 .5679 .0165 |
|
O34 .7100 -.0652 .3390 .0169 |
|
O35 .6074 -.1073 .5751 .0167 |
|
O36 .5500 -.0413 .3456 .0153 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
|
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
|
_database_code_amcsd 0002427 |
|
16.105 16.105 9.851 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 0 .0107 |
|
Sb2 2/3 1/3 -.00850 .0116 |
|
Sb3 1/3 2/3 -.09218 .0118 |
|
Sb4 0 0 .49620 .0104 |
|
Sb5 2/3 1/3 .48833 .0119 |
|
Sb6 1/3 2/3 .41225 .0106 |
|
Sb7 .33208 .00551 .46350 .0125 |
|
Sb8 .66045 -.00523 .44466 .0100 |
|
Co1 .33755 -.00376 -.03589 .0165 |
|
Co2 .67454 .00358 -.05172 .0146 |
|
O1 .0295 .1136 -.1118 .0168 |
|
O2 .1115 .0847 .1127 .0183 |
|
O3 .7470 .2999 -.1210 .0196 |
|
O4 .7795 .4172 .1031 .0175 |
|
O5 .3625 .5827 .0196 .0189 |
|
O6 .3045 .7501 -.2062 .0205 |
|
O7 .3059 .0813 -.1649 .0222 |
|
O8 .4228 .1141 .0816 .0234 |
|
O9 .4526 .0231 -.1658 .0254 |
|
O10 .3565 -.0941 .0875 .0280 |
|
O11 .2466 -.1217 -.1602 .0210 |
|
O12 .2180 -.0302 .0812 .0206 |
|
O13 .5878 .0349 .0648 .0195 |
|
O14 .6962 .1165 -.1828 .0195 |
|
O15 .7944 .0933 .0617 .0248 |
|
O16 .7633 -.0207 -.1787 .0291 |
|
O17 .6451 -.1129 .0692 .0219 |
|
O18 .5535 -.0855 -.1688 .0180 |
|
O19 .0617 .1145 .3751 .0147 |
|
O20 .1146 .0457 .6099 .0172 |
|
O21 .7810 .3748 .6027 .0175 |
|
O22 .7155 .2681 .3667 .0160 |
|
O23 .2184 .6033 .5322 .0163 |
|
O24 .4479 .7357 .2973 .0175 |
|
O25 .2631 .0532 .3474 .0165 |
|
O26 .3816 .1210 .5767 .0166 |
|
O27 .4469 .0718 .3425 .0176 |
|
O28 .4038 -.0409 .5705 .0171 |
|
O29 .2805 -.1100 .3451 .0162 |
|
O30 .2189 -.0640 .5804 .0174 |
|
O31 .6077 .0577 .5575 .0170 |
|
O32 .7320 .1078 .3270 .0161 |
|
O33 .7746 .0488 .5639 .0181 |
|
O34 .7092 -.0744 .3336 .0162 |
|
O35 .5929 -.1200 .5623 .0180 |
|
O36 .5478 -.0516 .3216 .0168 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Mazzi F, Wildner M, Tillmanns E |
|
American Mineralogist 88 (2003) 462-463 |
|
Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite |
|
_database_code_amcsd 0002989 |
|
16.105 16.105 9.851 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 .00000 .0116 |
|
Sb2 2/3 1/3 -.08368 .0118 |
|
Sb3 1/3 2/3 .00850 .0107 |
|
Co1 .33709 .00798 -.02739 .0165 |
|
Co2 .66237 -.00787 -.04322 .0146 |
|
O1 .0334 .1138 -.1125 .0196 |
|
O2 .1128 .0839 .1116 .0175 |
|
O3 .5832 .2211 -.1977 .0205 |
|
O4 .6958 .2494 .0281 .0189 |
|
O5 .3035 .5522 .1212 .0183 |
|
O6 .3628 .7803 -.1033 .0168 |
|
O7 .3102 .0962 -.1573 .0254 |
|
O8 .4274 .1173 .0960 .0280 |
|
O9 .4550 .0350 -.1517 .0210 |
|
O10 .3635 -.0851 .0897 .0206 |
|
O11 .2520 -.1087 -.1564 .0222 |
|
O12 .2193 -.0246 .0901 .0234 |
|
O13 .5753 .0216 .0777 .0219 |
|
O14 .6943 .1132 -.1603 .0180 |
|
O15 .7804 .0789 .0733 .0195 |
|
O16 .7536 -.0295 -.1743 .0195 |
|
O17 .6322 -.1277 .0702 .0248 |
|
O18 .5493 -.0966 -.1702 .0291 |
|
Sb4 0 0 .49683 .0119 |
|
Sb5 2/3 1/3 .42075 .0106 |
|
Sb6 1/3 2/3 .50470 .0104 |
|
Sb7 .32782 -.00676 .47200 .0125 |
|
Sb8 .66765 .00622 .45316 .0100 |
|
O19 .0652 .1141 .3752 .0160 |
|
O20 .1143 .0415 .6112 .0175 |
|
O21 .5517 .2670 .5407 .0163 |
|
O22 .6211 .2188 .3058 .0175 |
|
O23 .2644 .5521 .6184 .0172 |
|
O24 .3950 .7812 .3836 .0147 |
|
O25 .2615 .0418 .3510 .0176 |
|
O26 .3742 .1114 .5790 .0171 |
|
O27 .4433 .0572 .3536 .0162 |
|
O28 .3973 -.0504 .5889 .0174 |
|
O29 .2801 -.1234 .3559 .0165 |
|
O30 .2123 -.0727 .5852 .0166 |
|
O31 .6204 .0738 .5708 .0180 |
|
O32 .7339 .1189 .3301 .0168 |
|
O33 .7833 .0590 .5660 .0170 |
|
O34 .7091 -.0653 .3355 .0161 |
|
O35 .6075 -.1079 .5724 .0181 |
|
O36 .5497 -.0425 .3421 .0162 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Willhendersonite |
|
Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
| |
American Mineralogist 93 (2008) 1317-1325 |
|
Thermal behavior and structural transformation in the chabazite-type zeolite |
|
willhendersonite, KCaAl3Si3O12*5H2O |
|
Locality: Mayen, Eifel district, Germany |
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Note: Room temperature |
|
_database_code_amcsd 0004627 |
|
9.248 9.259 9.533 92.313 92.761 89.981 P-1 |
|
atom x y z occ Uiso |
|
K1 .4754 .890 .4712 .23 .049 |
|
K2 .4909 .4542 .8534 .5 .077 |
|
K3 .886 .4882 .4613 .41 .060 |
|
Ca .2002 .2008 .2038 .982 .0162 |
|
Al12a .3432 .0926 .8508 .0128 |
|
Al12b .8886 .3130 .0907 .0130 |
|
Al12c .0905 .8476 .3424 .0126 |
|
Si11a .3127 .8942 .1065 .0130 |
|
Si11b .1082 .3443 .8547 .0124 |
|
Si11c .8504 .1035 .3398 .0130 |
|
O11 .7454 .2443 .9851 .0185 |
|
O12 .6930 .0565 .2683 .0173 |
|
O13 .9740 .3157 .7390 .0160 |
|
O21 .1529 .5125 .8497 .0187 |
|
O22 .4753 .8617 .1663 .0188 |
|
O23 .8277 .1878 .4915 .0166 |
|
O31 .2493 .2505 .8179 .0172 |
|
O32 .9366 .2099 .2381 .0173 |
|
O33 .7864 .0641 .7602 .0182 |
|
O41 .0569 .3044 .0110 .0175 |
|
O42 .3054 .0438 .0209 .0187 |
|
O43 .0574 .0410 .6366 .0169 |
|
Wat1 .2259 .4601 .2606 .038 |
|
Wat2 .4595 .2505 .2399 .041 |
|
Wat3 .2221 .2087 .4583 .038 |
|
Wat4 .4761 .784 .443 .77 .085 |
|
Wat5 .763 .475 .434 .52 .073 |
|
Wat6 .485 .584 .436 .45 .09 |
|
Wat7 .569 .489 .452 .37 .14 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Willhendersonite |
|
Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
| |
American Mineralogist 93 (2008) 1317-1325 |
|
Thermal behavior and structural transformation in the chabazite-type zeolite |
|
willhendersonite, KCaAl3Si3O12*5H2O |
|
Locality: Mayen, Eifel district, Germany |
|
Note: T = 373K |
|
_database_code_amcsd 0004628 |
|
9.205 9.231 9.442 92.550 93.086 90.519 P-1 |
|
atom x y z occ Uiso |
|
K1 .4781 .974 .4832 .427 .064 |
|
K2 .4928 .5576 .140 .096 |
|
K3 .491 .546 .047 .11 .11 |
|
Ca .2048 .2078 .2120 .987 .0201 |
|
Al12a .3463 .0965 .8525 .0152 |
|
Al12b .8924 .3109 .0921 .0156 |
|
Al12c .0895 .8470 .3430 .0153 |
|
Si11a .3117 .8999 .1110 .0154 |
|
Si11b .1114 .3484 .8565 .0149 |
|
Si11c .8509 .1025 .3398 .0147 |
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O11 .7517 .2362 .9842 .0234 |
|
O12 .6924 .0555 .2649 .0203 |
|
O13 .9738 .3151 .7442 .0193 |
|
O21 .1578 .5169 .8502 .0228 |
|
O22 .4725 .8616 .1723 .0239 |
|
O23 .8245 .1866 .4919 .0211 |
|
O31 .2526 .2543 .8196 .0193 |
|
O32 .9417 .2056 .2386 .0203 |
|
O33 .7884 .0559 .7562 .0217 |
|
O41 .0633 .3110 .0162 .0214 |
|
O42 .3122 .0509 .0267 .0227 |
|
O43 .0614 .0450 .6340 .0201 |
|
Wat1 .2281 .4660 .2773 .054 |
|
Wat2 .4675 .2578 .2507 .055 |
|
Wat3 .2398 .2094 .4727 .048 |
|
Wat4 .2957 .5382 .5874 .82 .091 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Willhendersonite |
|
Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
| |
American Mineralogist 93 (2008) 1317-1325 |
|
Thermal behavior and structural transformation in the chabazite-type zeolite |
|
willhendersonite, KCaAl3Si3O12*5H2O |
|
Locality: Mayen, Eifel district, Germany |
|
Note: T = 423K |
|
_database_code_amcsd 0004629 |
|
9.411 9.411 9.411 91.48 91.48 91.48 R-3 |
|
atom x y z occ Uiso |
|
K1 .5470 .543 .017 .307 .087 |
|
Ca1 0 0 0 .273 .0214 |
|
Ca2 .543 .625 .011 .172 .16 |
|
Ca3 .649 .539 -.051 .052 .04 |
|
Al12 .3294 .0830 .8596 .0232 |
|
Si11 .1002 .3249 .8621 .0222 |
|
O1 .2982 .7098 .0155 .0335 |
|
O2 .1099 .8731 .5090 .0376 |
|
O3 .2513 .2479 .8657 .0343 |
|
O4 -.0155 .0003 .2545 .0271 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Oxy-schorl |
| |
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Saxonian Erzegebirge, Germany |
|
_database_code_amcsd 0004995 |
|
15.929 15.929 7.183 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2250 .86 .0219 |
|
CaX 0 0 .2250 .02 .0219 |
|
KX 0 0 .2250 .02 .0219 |
|
AlY .12241 .06121 .63418 .543 .00765 |
|
FeY .12241 .06121 .63418 .410 .00765 |
|
TiY .12241 .06121 .63418 .037 .00765 |
|
MgY .12241 .06121 .63418 .010 .00765 |
|
ZnY .12241 .06121 .63418 .003 .00765 |
|
AlZ .29781 .26128 .60853 .842 .00541 |
|
MgZ .29781 .26128 .60853 .158 .00541 |
|
SiT .19157 .18968 -.00115 .99 .00525 |
|
AlT .19157 .18968 -.00115 .01 .00525 |
|
B .10999 .21998 .4526 .0068 |
|
O1 0 0 .7708 .81 .0224 |
|
OH1 0 0 .7708 .09 .0224 |
|
F1 0 0 .7708 .10 .0224 |
|
O2 .06101 .12202 .48628 .0130 |
|
O3 .26269 .13135 .50873 .0158 |
|
H3 .252 .126 .397 .042 |
|
O4 .09338 .18676 .07027 .01067 |
|
O5 .18558 .09279 .09176 .01051 |
|
O6 .19525 .18501 .77532 .00927 |
|
O7 .28521 .28528 .07611 .00885 |
|
O8 .20931 .27011 .43816 .01020 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Parigi, Dora Maira, Western Alps, Italy |
|
_database_code_amcsd 0004996 |
|
15.935 15.935 7.201 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2396 .90 .0214 |
|
CaX 0 0 .2396 .05 .0214 |
|
KX 0 0 .2396 .01 .0214 |
|
MgY .12571 .06286 .63044 .593 .0081 |
|
AlY .12571 .06286 .63044 .330 .0081 |
|
FeY .12571 .06286 .63044 .040 .0081 |
|
TiY .12571 .06286 .63044 .010 .0081 |
|
AlZ .29806 .26164 .61163 .85 .00622 |
|
MgZ .29806 .26164 .61163 .15 .00622 |
|
SiT .19191 .19000 -.00089 .00548 |
|
B .10979 .21958 .4546 .0069 |
|
OH1 0 0 .7720 .72 .0144 |
|
F1 0 0 .7720 .28 .0144 |
|
O2 .06094 .12188 .4848 .0111 |
|
O3 .26529 .13265 .5106 .0127 |
|
H3 .259 .130 .400 .049 |
|
O4 .09305 .1861 .0694 .0107 |
|
O5 .18401 .092 .0909 .0106 |
|
O6 .19604 .18586 .77669 .00877 |
|
O7 .28501 .28490 .07900 .00867 |
|
O8 .20952 .27018 .44103 .00961 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Lago di Cignana, Western Alps, Italy |
|
_database_code_amcsd 0004997 |
|
15.945 15.945 7.210 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2325 .84 .0204 |
|
CaX 0 0 .2325 .09 .0204 |
|
KX 0 0 .2325 .01 .0204 |
|
MgY .12426 .06213 .63250 .547 .00810 |
|
AlY .12426 .06213 .63250 .263 .00810 |
|
FeY .12426 .06213 .63250 .160 .00810 |
|
MnY .12426 .06213 .63250 .020 .00810 |
|
TiY .12426 .06213 .63250 .007 .00810 |
|
NiY .12426 .06213 .63250 .007 .00810 |
|
ZnY .12426 .06213 .63250 .003 .00810 |
|
AlZ .29802 .26159 .61070 .833 .00545 |
|
MgZ .29802 .26159 .61070 .167 .00545 |
|
SiT .19175 .18990 -.00135 .997 .00520 |
|
AlT .19175 .18990 -.00135 .003 .00520 |
|
B .10987 .21974 .4536 .0065 |
|
OH1 0 0 .7712 .65 .0135 |
|
F1 0 0 .7712 .35 .0135 |
|
O2 .06106 .12212 .48347 .01023 |
|
O3 .26510 .13255 .50989 .0125 |
|
H3 .256 .128 .400 .045 |
|
O4 .09310 .1862 .06931 .01017 |
|
O5 .18433 .09217 .09025 .01010 |
|
O6 .19581 .18592 .77662 .00840 |
|
O7 .28489 .28483 .07811 .00850 |
|
O8 .20927 .27006 .44018 .00962 |
|
|
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|
| |
|
Cs3YSi8O19 |
| |
Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E |
| |
The Canadian Mineralogist 47 (2009) 421-431 |
|
Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 |
|
Locality: synthetic |
|
_database_code_amcsd 0006289 |
|
11.476 7.059 26.971 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs1 .08478 .25 .452882 .02132 .02058 .02209 .02129 .000 .00045 .000 |
|
Cs2 .44859 .25 .452902 .02050 .01708 .02085 .02357 .000 -.00009 .000 |
|
Cs3a -.06384 .25 .27777 .7550 .0595 .0881 .0253 .0651 .000 -.0516 .000 |
|
Cs3b .0513 .25 .2318 .100 .084 .124 .0170 .111 .000 -.104 .000 |
|
Cs3c -.3717 .25 .3112 .082 .141 .158 .151 .114 .000 -.025 .000 |
|
Cs3d -.2447 .0362 .3026 .0314 .052 .064 .084 .008 .010 .011 .003 |
|
Y .27068 .75 .444322 .00861 .00849 .00964 .00771 .000 -.00021 .000 |
|
Sil .25429 .03007 .33403 .00964 .0112 .0066 .0111 .0000 -.00050 .0006 |
|
Si2 .06203 .25 .79791 .00855 .0090 .0094 .0072 .000 -.0010 .000 |
|
Si3 -.05905 .25 .69138 .00923 .0085 .0108 .0084 .000 -.0017 .000 |
|
Si4 .04507 .25 .58776 .00940 .0070 .0108 .0104 .000 .0013 .000 |
|
Si5 -.24528 .03584 .43776 .00959 .0102 .0076 .0110 .0000 -.00038 -.0015 |
|
Si6 .42692 .25 .60258 .01003 .0078 .0124 .0099 .000 -.0017 .000 |
|
O1 .26638 -.0041 .39112 .0216 .0337 .0179 .0130 .0006 .0004 .0063 |
|
O2 .2499 .25 .31699 .0161 .0276 .0059 .0146 .000 -.0020 .000 |
|
O3 .13989 .0610 .80173 .0259 .0287 .0217 .0273 .0140 -.0120 -.0031 |
|
O4 -.13496 .0600 .68895 .0298 .0257 .0180 .0457 -.0099 -.0181 .0049 |
|
O5 .0078 .25 .74333 .0199 .0190 .0312 .0095 .000 -.0055 .000 |
|
O6 -.0393 .25 .83851 .0214 .0231 .0290 .0121 .000 .0081 .000 |
|
O7 .0360 .25 .64806 .0337 .0225 .067 .0114 .000 .0050 .000 |
|
O8 -.0751 .25 .55988 .0205 .0101 .0285 .0228 .000 -.0047 .000 |
|
O9 -.12050 -.0642 .42692 .0256 .0157 .0195 .0415 .0069 .0016 -.0066 |
|
O10 .27715 -.0326 .50513 .0183 .0303 .0138 .0108 -.0034 .0018 -.0011 |
|
O11 .34430 .0633 .59686 .0210 .0212 .0211 .0209 -.0098 -.0053 -.0027 |
|
O12 -.2322 .25 .41536 .0162 .0273 .0068 .0146 .000 .0041 .000 |
|
O13 .5338 .25 .56619 .0228 .0107 .0367 .0209 .000 .0031 .000 |
|
|
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|
| |
|
BaKYSi2O7 |
| |
Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E |
| |
The Canadian Mineralogist 47 (2009) 421-431 |
|
Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 |
|
Locality: synthetic |
|
_database_code_amcsd 0006290 |
|
9.775 5.718 13.096 90 104.61 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .636758 .76922 .172119 .00926 .00893 .00803 .01092 -.00069 .00267 .00081 |
|
K .13201 .26406 .13885 .01916 .0088 .0149 .0337 .00003 .00517 -.00130 |
|
Y .760689 .24063 .021620 .00554 .00541 .00568 .00556 -.00011 .00145 -.00013 |
|
Si1 .44792 .27157 .12132 .00521 .0051 .0052 .0051 -.00040 .00090 -.00001 |
|
Si2 .97508 .75487 .14618 .00563 .0050 .0057 .0064 -.00012 .00178 -.00045 |
|
O1 .36322 .0804 .03933 .0126 .0132 .0126 .0114 -.0044 .0017 -.0041 |
|
O2 .39106 .5349 .09229 .0126 .0108 .0089 .0158 .0015 -.0008 .0024 |
|
O3 .61843 .2582 .13816 .0088 .0069 .0096 .0103 -.0001 .0026 -.0007 |
|
O4 .41496 .2031 .23643 .0108 .0078 .0166 .0081 -.0037 .0021 .0008 |
|
O5 .07325 .7608 .06444 .0123 .0111 .0167 .0116 .0021 .0072 .0012 |
|
O6 .86372 .5381 .12693 .0110 .0109 .0078 .0146 -.0026 .0039 -.0029 |
|
O7 .89240 .0007 .15120 .0091 .0103 .0072 .0102 .0021 .0033 .0005 |
|
|
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|
| |
|
KSrScSi2O7 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
|
The crystal structures of three new complex silicates of sandium |
|
Locality: synthetic |
|
_database_code_amcsd 0006315 |
|
9.446 5.478 12.537 90 104.39 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .13142 .26608 .14338 .01761 .0088 .0135 .0305 .0000 .0048 -.0026 |
|
Sr .64474 .77038 .17439 .01042 .00990 .01013 .01154 -.00065 .00326 .00098 |
|
Sc .75821 .23577 .02377 .00654 .0063 .0065 .0069 .00015 .0017 -.00029 |
|
Si1 .44736 .27864 .11681 .00675 .0065 .0065 .0072 -.0001 .0014 .0002 |
|
Si2 .97477 .75689 .14277 .00652 .0062 .0066 .0068 .0002 .0017 -.0006 |
|
O1 .3551 .0904 .02826 .0110 .0115 .0101 .0111 -.0017 .0021 -.0010 |
|
O2 .3968 .5597 .09062 .0117 .0102 .0114 .0118 .0014 -.0005 .0003 |
|
O3 .6233 .2530 .13902 .0098 .0072 .0141 .0084 .0007 .0026 .0009 |
|
O4 .4118 .2007 .23541 .0111 .0121 .0140 .0073 -.0028 .0027 .0000 |
|
O5 .0800 .7670 .05973 .0113 .0124 .0117 .0116 .0009 .0066 .0018 |
|
O6 .8591 .5336 .12269 .0122 .0116 .0099 .0153 -.0022 .0038 -.0022 |
|
O7 .8884 .0098 .15242 .0090 .0102 .0087 .0085 .0028 .0032 .0002 |
|
|
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|
| |
|
NaBaScSi2O7 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
|
The crystal structures of three new complex silicates of sandium |
|
Locality: synthetic |
|
_database_code_amcsd 0006316 |
|
6.845 5.626 8.819 90 109.33 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .2663 .25 .99385 .0302 .0169 .0464 .0211 .0 -.0020 .0 |
|
Ba .70493 .75 .536059 .00812 .00791 .00683 .00910 .0 .00210 .0 |
|
Sc .70065 .25 .26630 .00465 .00506 .00420 .00463 .0 .00155 .0 |
|
Si1 .94741 .25 .68026 .00502 .0046 .0048 .0056 .0 .0016 .0 |
|
Si2 .63905 .25 .84265 .00498 .0051 .0050 .0049 .0 .0017 .0 |
|
O1 .0806 .4860 .68648 .0150 .0146 .0153 .0131 -.0094 .0021 .0007 |
|
O2 .7386 .25 .5235 .0068 .0063 .0077 .0058 .0 .0015 .0 |
|
O3 .8824 .25 .8456 .0106 .0073 .0183 .0064 .0 .0027 .0 |
|
O4 .6361 .25 .0234 .0110 .0130 .0155 .0055 .0 .0044 .0 |
|
O5 .5330 .0097 .74776 .0108 .0143 .0089 .0094 -.0054 .0044 -.0028 |
|
|
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|
| |
|
RbBaScSi3O9 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
|
The crystal structures of three new complex silicates of sandium |
|
Locality: synthetic |
|
_database_code_amcsd 0006317 |
|
6.957 10.199 11.881 90 90.07 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb .24420 .55434 .57947 .01576 .01734 .01146 .01848 .00014 -.00102 .00057 |
|
Ba .24119 .440841 .912355 .01100 .01002 .01230 .01068 .00083 -.00011 -.00184 |
|
Sc .25646 .50412 .23416 .00641 .00762 .00526 .00634 .00011 .00010 -.00030 |
|
Si1 .31093 .26411 .44195 .00632 .0072 .0060 .0057 .00052 .0004 .00038 |
|
Si2 .00786 .25153 .62327 .00636 .0057 .0068 .0066 .0000 -.00001 -.0008 |
|
Si3 .43439 .25320 .68364 .00650 .0062 .0063 .0069 -.0002 -.00119 -.0005 |
|
O1 .3569 .37539 .35277 .0115 .0136 .0103 .0107 .0012 .0010 .0058 |
|
O2 .3489 .11341 .40971 .0094 .0116 .0073 .0093 .0007 -.0003 -.0011 |
|
O3 .0941 .28422 .49568 .0101 .0087 .0145 .0073 .0014 .0011 .0012 |
|
O4 .4600 .29258 .54950 .0110 .0091 .0158 .0081 -.0034 .0006 .0001 |
|
O5 -.1235 .37269 .65380 .0144 .0173 .0109 .0152 .0061 .0037 -.0005 |
|
O6 -.0838 .10734 .61150 .0110 .0165 .0081 .0085 -.0039 .0022 -.0006 |
|
O7 .1984 .24644 .70620 .0160 .0064 .0305 .0110 -.0018 .0003 .0051 |
|
O8 .5035 .37039 .76207 .0112 .0136 .0097 .0102 -.0026 .0009 -.0036 |
|
O9 .5062 .10667 .70490 .0140 .0145 .0083 .0193 .0034 -.0033 -.0004 |
|
|
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|
| |
|
9Al2O3.2B2O3 |
| |
Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V |
| |
European Journal of Mineralogy 3 (1991) 793-808 |
|
Incorporation of chromium into aluminium borate |
|
9Al2O3.2B2O3 (A9B2) |
|
Sample: Rietveld refinement of AgB2 |
|
_database_code_amcsd 0006430 |
|
7.6942 15.0110 5.6689 90 90 90 A2_1am |
|
atom x y z occ Biso |
|
B .722 .0256 0 .33 |
|
Al1 .5 .3825 .2455 .98 .35 |
|
B1 .5 .3825 .2455 .02 .35 |
|
Al2 .6886 .2445 .5 .98 .41 |
|
B2 .6886 .2445 .5 .02 .41 |
|
Al3 .6830 .0554 .5 .98 .37 |
|
B3 .6830 .0554 .5 .02 .37 |
|
Al4 .8337 .2955 0 .98 .37 |
|
B4 .8337 .2955 0 .02 .37 |
|
O1 .7853 .0504 .2116 .58 |
|
O2 .7013 .3056 .2447 .48 |
|
O3 .5367 .1517 .5 .53 |
|
O4 .9357 .1910 0 .40 |
|
O5 .8753 .1711 .5 .57 |
|
O6 .5721 .4573 0 .57 |
|
O7 .5927 .4523 .5 .43 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Aluminium Borate |
| |
Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V |
| |
European Journal of Mineralogy 3 (1991) 793-808 |
|
Incorporation of chromium into aluminium borate |
|
9Al2O3*2B2O3 (A9B2) |
|
Sample: Single crystal structure refinement of AgB2+Cr |
|
_database_code_amcsd 0006431 |
|
7.71 15.07 5.70 90 90 90 A2_1am |
|
atom x y z occ Biso |
|
B .726 .0160 0 .66 |
|
Al1 .5 .3837 .2481 .90 .45 |
|
Cr1 .5 .3837 .2481 .08 .45 |
|
B1 .5 .3837 .2481 .02 .45 |
|
Al2 .6877 .2447 .5 .62 |
|
Al3 .6849 .0563 .5 .33 |
|
Al4 .8353 .2970 0 .38 |
|
O1 .785 .0483 .211 .78 |
|
O2 .705 .3100 .244 .65 |
|
O3 .537 .1495 .5 .78 |
|
O4 .937 .1926 0 .68 |
|
O5 .869 .1702 .5 .74 |
|
O6 .573 .4554 0 .48 |
|
O7 .599 .4537 .5 .64 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Jankovicite |
|
Libowitzky E, Giester G, Tillmanns E |
| |
European Journal of Mineralogy 7 (1995) 479-487 |
|
The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22 |
|
_database_code_amcsd 0006589 |
|
7.393 8.711 17.58 103.81 91.81 109.51 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .3120 .2507 .3768 .0369 .0240 .0338 .0453 .0047 .0018 .0046 |
|
Tl2 .7621 .3538 .8118 .0479 .0336 .0505 .0462 .0067 -.0055 .0008 |
|
Tl3 .2085 .0696 .0266 .5 .0381 .0289 .0337 .044 .0051 .0011 .0046 |
|
Sb1 .2986 .0734 .0177 .5 .0259 .017 .028 .025 .0020 -.0016 .0016 |
|
Sb2 .7111 .2253 .1907 .0247 .0255 .0237 .0220 .0066 .0017 .0041 |
|
Sb3 .5861 .2099 .5903 .0239 .0192 .0260 .0198 .0019 -.0015 .0028 |
|
Sb4 .2379 .1789 .7954 .0273 .0269 .0232 .0259 .0043 -.0012 .0026 |
|
Sb5 .8406 .2038 .4062 .0326 .0185 .0415 .0288 .0069 -.0003 -.0016 |
|
As1 .7423 .4474 .0262 4/5 .0261 .0232 .0225 .027 .0035 -.0007 .0030 |
|
Sb1 .7423 .4474 .0262 1/5 .0261 .0232 .0225 .027 .0035 -.0007 .0030 |
|
As2 .1321 .3286 .6123 2/3 .0253 .0234 .0218 .0256 .0042 -.0010 .0028 |
|
Sb2 .1321 .3286 .6123 1/3 .0253 .0234 .0218 .0256 .0042 -.0010 .0028 |
|
S1 .9892 .1432 .6890 .0258 .019 .028 .023 .0003 -.003 .0043 |
|
S2 .2753 .0380 .5113 .0234 .017 .024 .022 .0018 -.002 .0016 |
|
S3 .9685 .1033 .2018 .0271 .021 .022 .034 .0039 .001 .0053 |
|
S4 .9157 .3190 .0857 .0250 .023 .029 .021 .007 .002 .0053 |
|
S5 .4459 .4257 .6738 .0241 .019 .023 .024 .0026 .001 .0010 |
|
S6 .0738 .2732 .9087 .0282 .033 .023 .023 .005 .001 .0016 |
|
S7 .5112 .5970 .9038 .0448 .031 .050 .053 .013 .013 .014 |
|
S8 .5105 .0670 .9087 .0386 .035 .038 .024 -.008 -.004 .003 |
|
S9 .5592 .0395 .3113 .0247 .022 .027 .017 .002 -.000 .0015 |
|
S10 .9681 .4545 .3210 .0242 .022 .022 .022 .0035 -.001 .0007 |
|
S11 .3007 .6122 .5072 .0241 .023 .025 .018 .0034 .003 .0013 |
|
|
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|
| |
|
Sailaufite |
| |
Wildner M, Tillmanns E, Andrut M, Lorenz J |
| |
European Journal of Mineralogy 15 (2003) 555-564 |
|
Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from |
|
Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship |
|
to mitridatite-group minerals and pararobertsite |
|
Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany |
|
_database_code_amcsd 0007000 |
|
11.253 19.628 8.932 90 100.05 90 Cm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1* .21795 .15628 .9255 .207 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
|
NaA1* .21795 .15628 .9255 .793 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
|
CaA2* .7553 0 .9254 .046 .0130 .0186 .0120 .0082 0 .0019 0 |
|
NaA2* .7553 0 .9254 .954 .0130 .0186 .0120 .0082 0 .0019 0 |
|
CaA3* .97944 .17535 .58638 .987 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
|
NaA3* .97944 .17535 .58638 .013 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
|
Ca4 .51193 0 .5864 .0112 .0109 .0128 .0102 0 .0029 0 |
|
Mn1 .62816 0 .25465 .0061 .0044 .0078 .0063 0 .0015 0 |
|
Mn2 .10012 .16687 .24963 .00534 .0028 .0066 .0066 .00013 .0006 .00016 |
|
Mn3 .34947 .24145 .25145 .00522 .0050 .0046 .0059 -.0018 .0006 -.0004 |
|
Mn4 .86236 .08735 .24994 .00550 .0061 .0036 .0067 -.0012 .0009 .0006 |
|
Mn5 .36306 .07965 1.25199 .00544 .0062 .0044 .0059 .0014 .0014 -.0004 |
|
As1 .83715 0 .53900 .00691 .0072 .0066 .0070 0 .0013 0 |
|
As2 .42147 0 .97103 .00821 .0085 .0087 .0077 0 .0023 0 |
|
As3 .30697 .15817 .53815 .00754 .0076 .0075 .0075 -.00030 .0014 .00011 |
|
As4 .89143 .17537 .96652 .00767 .0080 .0078 .0073 .00072 .0017 .00029 |
|
C1 .1038 0 .2328 .0115 .005 .002 .030 0 .007 0 |
|
C2 .1107 .3336 .2603 .0067 .0073 .0117 .001 -.0003 -.0005 -.0007 |
|
Ow1 .1924 0 .6078 .0174 .014 .020 .018 0 .004 0 |
|
Ow2 .5288 .16292 .9100 .0235 .021 .025 .025 -.0001 .007 .0004 |
|
O1 .8747 0 .7249 .0111 .012 .015 .006 0 .000 0 |
|
O2* .6877 0 .4770 .0100 .0015 .015 .015 0 .006 0 |
|
O3 .8939 .07107 .4685 .0090 .0101 .0101 .005 -.0045 -.0026 .0013 |
|
O4 .3573 .06936 1.0371 .0085 .0115 .0075 .0064 .0035 .0006 .0014 |
|
O5 .4058 0 .7847 .0129 .015 .018 .005 0 .000 0 |
|
O6 .5710 0 .0409 .0093 .008 .012 .009 0 .005 0 |
|
O7 .3253 .15729 .7234 .0145 .0114 .0232 .009 .0031 .0020 -.0003 |
|
O8 .1561 .15711 .4657 .0097 .0043 .0139 .011 -.0033 .0003 .0004 |
|
O9 .3694 .22778 .4728 .0080 .0095 .0078 .0072 -.0022 .0028 .0027 |
|
O10 .3730 .08885 .4715 .0098 .0118 .0090 .008 .0071 .0013 -.0012 |
|
O11 .8322 .10483 1.0369 .0104 .0147 .0086 .008 -.0055 .0019 .0012 |
|
O12 1.0419 .17590 1.0343 .0097 .0080 .0176 .002 -.0001 -.0024 -.0009 |
|
O13 .8302 .24504 1.0379 .0107 .0135 .0109 .009 .0032 .0045 -.0002 |
|
O14 .8575 .17604 .7796 .0124 .0155 .0158 .006 .0001 .0025 -.0004 |
|
O15 .2598 .15674 .2132 .0047 .0026 .0058 .005 .0001 -.0011 .0007 |
|
O16 .4378 .32466 .2933 .0069 .0068 .0041 .011 .0008 .0041 -.0007 |
|
O17 .7896 0 .2126 .0057 .0047 .0051 .006 0 -.0023 0 |
|
O18 .4666 0 1.2966 .0066 .005 .0050 .009 0 .0000 0 |
|
O19 .0491 .05692 .2336 .0103 .0056 .0071 .018 .0016 .0028 -.0001 |
|
O20 .1637 .27526 .2638 .0111 .0077 .0060 .019 -.0002 .0006 .0015 |
|
O21 .2220 0 .2507 .0101 .001 .008 .021 0 .003 0 |
|
O22 -.0047 .33592 .2489 .0120 .0042 .0075 .024 .0018 .0009 .0019 |
|
O23 .1723 .38808 .2653 .0128 .0094 .0063 .023 .0000 .0042 -.0023 |
|
O24 .0756 .0883 .7598 .0156 .016 .016 .013 .0003 -.0001 -.0012 |
|
O25 .6392 .08056 .7386 .0208 .0166 .0205 .025 -.0015 .0033 -.0080 |
|
O26 1.1209 .2469 .7418 .0207 .014 .0167 .031 -.0074 .0037 -.0112 |
|
H11 .159 .0377 .574 2/3 .057 |
|
H12 .265 0 .658 2/3 .057 |
|
H21 .474 .133 .852 .057 |
|
H22 .512 .170 .996 .057 |
|
H241 .096 .038 .727 .057 |
|
H242 -.007 .070 .755 .057 |
|
H251 .700 .107 .703 .057 |
|
H252 .607 .102 .806 .057 |
|
H261 1.104 .273 .817 .057 |
|
H262 1.175 .262 .696 .057 |
|
|
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|
| |
|
K2ScFSi4O10 |
| |
Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 16 (2004) 143-149 |
|
The structural relation between the new synthetic silicate K2ScFSi4O10 |
|
and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10 |
|
_database_code_amcsd 0007029 |
|
11.207 11.207 8.166 90 90 90 I4/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K .18464 .18499 .5 .01519 .01582 .01551 .01424 .00037 0 0 |
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Sc 0 0 .24475 .00583 .00607 .00607 .00535 0 0 0 |
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F1 0 0 0 .0205 .0278 .0278 .0060 0 0 0 |
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F2 0 0 .5 .0121 .0153 .0153 .0057 0 0 0 |
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Si .98925 .31366 .19159 .00628 .00724 .00542 .00618 -.00009 .00015 -.00038 |
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O3 .94831 .31741 0 .0131 .0115 .0205 .0074 -.0027 0 0 |
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O4 .00111 .18422 .26457 .01234 .0155 .0062 .0154 .0011 -.0001 .0015 |
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O5 .11497 .38589 .20654 .01334 .0114 .0146 .0140 -.0059 .0009 -.0043 |
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Allanpringite |
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Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E |
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European Journal of Mineralogy 18 (2006) 793-801 |
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Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, |
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and its close relation to wavellite |
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Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany |
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_database_code_amcsd 0007186 |
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9.777 7.358 17.830 90 92.19 90 P2_1/n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .27493 .6185 .24870 .92 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
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Al1 .27493 .6185 .24870 .08 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
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Fe2 .74539 .6422 .48712 .91 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
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Al2 .74539 .6422 .48712 .09 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
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Fe3 .75612 .1425 .48182 .92 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
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Al3 .75612 .1425 .48182 .08 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
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P1 .4372 .6104 .41119 .0177 .0173 .0138 .0220 .0003 .0001 -.0006 |
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P2 .0548 .0969 .40389 .0186 .0198 .0127 .0232 .0014 .0012 .0026 |
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O1 .5892 .5640 .4167 .0214 |
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O2 .3540 .4376 .4233 .0175 |
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O3 .4036 .7604 .4680 .0235 |
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O4 .4020 .6856 .3314 .028 |
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O5 .0958 .2626 .4496 .0232 |
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O6 .0789 .1253 .3213 .035 |
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O7 .1326 -.0757 .4270 .0195 |
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O8 .9017 .0651 .4120 .0187 |
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OH9 .2100 .8627 .2254 .030 |
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Wat10 .1230 .5470 .1677 .036 |
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Wat11 .1124 .6196 .3313 .046 |
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OH12 .8304 .3953 .4809 .0221 |
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OH13 .6734 .8950 .4823 .0257 |
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Wat14 .8481 .7077 .3886 .0260 |
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Wat15 .6400 .2078 .3796 .028 |
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Wat16a .811 .238 .2513 .5 .050 |
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Wat16b .775 .114 .2496 .5 .059 |
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Elbaite |
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Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M, |
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Lengauer C, Prem M |
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European Journal of Mineralogy 20 (2008) 881-888 |
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Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship |
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to the pressure-temperature conditions of formation |
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Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar |
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Note: O5 and O6 z-coordinates changed to match reported bond lengths |
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_database_code_amcsd 0007264 |
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15.777 15.777 7.086 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2446 .53 .0225 |
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CaX 0 0 .2446 .09 .0225 |
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AlY .12079 .06040 -.34151 .667 .00799 |
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LiY .12079 .06040 -.34151 .3 .00799 |
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MnY .12079 .06040 -.34151 .03 .00799 |
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FeY .12079 .06040 -.34151 .003 .00799 |
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AlZ .29673 .26008 -.37240 .00647 |
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BT .19141 .18948 .01964 .065 .00539 |
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SiT .19141 .18948 .01964 .935 .00539 |
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B .10901 .21802 .4727 .0063 |
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O1 0 0 -.2045 .4 .0186 |
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OH1 0 0 -.2045 .6 .0186 |
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O2 .06021 .12042 .5106 .0130 |
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O3 .26139 .13069 -.47306 .01174 |
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O4 .09413 .18826 .09350 .00982 |
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O5 .18697 .09348 .11479 .01015 |
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O6 .19427 .18381 -.20587 .00768 |
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O7 .28625 .28584 .09589 .00718 |
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O8 .20953 .27006 .45705 .00766 |
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H3 .256 .1282 .411 .045 |
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Hilairite-(Rb) |
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Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 495-506 |
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Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
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Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
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Note: sample was synthesized by cation exchange at 150 C |
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_database_code_amcsd 0007281 |
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10.477 10.477 15.377 90 90 120 R3 |
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atom x y z occ Uiso |
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Rb1 .0 .0 -.06577 .03552 |
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Rb2 .3340 .89493 .10497 .870 .0378 |
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Na2 .3340 .89493 .10497 .130 .0378 |
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Zr1 .0 .0 .19048 .01237 |
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Zr2 1/3 2/3 .33918 .01029 |
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Si1 .3408 .23028 .10909 .0193 |
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Si2 .05776 .7287 .27305 .0215 |
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O1 .1878 .0765 .1134 .0253 |
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O2 .2094 .7260 .2641 .0253 |
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O3 .1112 .1867 .2674 .0249 |
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O4 .4019 .8530 .4176 .0149 |
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O5 .9380 .6203 .2036 .0277 |
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O6 .3239 .3386 .0411 .0305 |
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Wat .733 .741 -.049 .23 .051 |
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Hilairite-(Sr) |
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Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 495-506 |
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Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
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Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
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Note: sample was synthesized by cation exchange at 150 C |
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_database_code_amcsd 0007282 |
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20.964 20.964 7.836 90 90 120 R3 |
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atom x y z occ Uiso |
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Sr1a .7976 .6512 .2809 .331 .042 |
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Sr1b .8229 .6342 .1516 .393 .063 |
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Sr1c .8672 .6894 .1497 .299 .0345 |
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Sr2 .3482 .6455 .2819 .330 .0410 |
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Zr1 0 0 .05775 .0155 |
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Zr2 .50235 .49769 .04918 .0175 |
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Si1 .6711 .6300 -.0898 .0482 |
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Si2 .5401 .3658 .1876 .0260 |
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Si3 .3295 .4565 .1786 .0413 |
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Si4 .3848 .5432 -.1484 .0188 |
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O1 .5987 .5565 -.091 .045 |
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O2 .5396 .5821 .215 .032 |
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O3 .6826 .6689 .102 .065 |
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O4 .6101 .3629 .209 .039 |
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O5 .3426 .5142 .3396 .060 |
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O6 .5496 .4497 .1925 .021 |
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O7 .4800 .3112 .331 .043 |
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O8 .2533 .3865 .193 .041 |
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O9 .3254 .4963 -.008 .044 |
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O10 .4035 .4451 .1740 .029 |
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O11 .4592 .5475 -.120 .056 |
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O12 .3921 .6256 -.155 .038 |
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Wat1 .832 .7748 .227 .64 .074 |
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Wat2 .6872 .5256 .241 .33 .027 |
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Wat3 .4220 .6655 .178 .73 .076 |
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Wat4 .915 .673 .161 .50 .066 |
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|
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Hilairite-(Ba) |
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Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 495-506 |
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Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
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Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
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Note: sample was synthesized by cation exchange at 150 C |
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_database_code_amcsd 0007283 |
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20.976 20.976 7.857 90 90 120 R3 |
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atom x y z occ Uiso |
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Ba1 .82788 .65729 .21606 .981 .0363 |
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Ba2 1/3 2/3 .22359 .888 .0415 |
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Zr1 0 0 .04324 .0103 |
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Zr2 .50167 .49847 .05010 .01048 |
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Si1 .67151 .62881 -.0854 .0182 |
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Si2 .53776 .36444 .1893 .0186 |
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Si3 .32781 .4561 .1793 .0299 |
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Si4 .38388 .54418 -.1438 .0193 |
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O1 .5992 .5513 -.0868 .0255 |
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O2 .5464 .5834 .2222 .028 |
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O3 .6837 .6671 .0998 .035 |
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O4 .6158 .3712 .2147 .028 |
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O5 .3445 .5121 .3365 .0339 |
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O6 .5339 .4418 .2033 .0264 |
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O7 .4813 .3134 .3367 .0195 |
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O8 .2544 .3827 .2013 .0302 |
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O9 .3239 .4970 .0022 .0357 |
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O10 .4010 .4477 .1735 .0292 |
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O11 .4601 .5487 -.1112 .0252 |
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O12 .3817 .6229 -.1456 .050 |
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Wat1 .8326 .7871 .2289 .0345 |
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Wat2 .6972 .5293 .2186 .045 |
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Wat3 .4609 .6694 .2128 .058 |
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Wat4 .9668 .6748 .1892 .048 |
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|
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View JMOL 3-D Structure
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Hilairite-(Ca) |
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Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 495-506 |
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Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
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Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
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Note: sample was synthesized by cation exchange at 150 C |
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_database_code_amcsd 0007284 |
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10.456 10.456 7.995 90 90 120 R3 |
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atom x y z occ Uiso |
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Ca1a 0 0 .65406 .769 .0440 |
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Ca1b 0 0 .570 .057 .044 |
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Zr 0 0 .05443 .01018 |
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Si .41057 .41756 .52857 .01112 |
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O1 .0922 .1779 .8848 .0161 |
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O2 -.0929 -.1912 .1900 .0167 |
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O3 .6588 .0166 .0176 .0189 |
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Wat .0112 .2011 .5025 .0644 |
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|
| Download AMC data (View Text File)
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Hilairite-(Pb) |
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Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
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Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
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Note: sample was synthesized by cation exchange at 150 C |
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_database_code_amcsd 0007285 |
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10.477 10.477 7.994 90 90 120 R3 |
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atom x y z occ Uiso |
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Pb1a 0 0 .647926 .801 .02456 |
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Na1a 0 0 .647926 .179 .02456 |
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Pb1b 0 0 .456 .020 .016 |
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Zr 0 0 .06932 .0109 |
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Si .40987 .41728 .53671 .0132 |
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O1 .0923 .1772 .8923 .0179 |
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O2 -.0923 -.1913 .2001 .0194 |
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O3 .6607 .0182 .0231 .0220 |
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Wat .0127 .2422 .5170 .95 .046 |
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| Download AMC data (View Text File)
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Florkeite |
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Lengauer C L, Kolitsch U, Tillmanns E |
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European Journal of Mineralogy 21 (2009) 901-913 |
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Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite |
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from the Bellerberg, East Eifel volcanic are, Germany |
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Locality: Bellerberg, East Eifel volcanic are, Germany |
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_database_code_amcsd 0007333 |
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19.965 14.274 8.704 88.37 125.08 89.57 P-1 |
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atom x y z occ Uiso |
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K1 .42233 .25788 .1458 .0364 |
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K2 .93846 .25093 .2404 .0391 |
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K3 .58471 .74160 .3841 .929 .0401 |
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Ca1 .79023 .34993 .45758 .01545 |
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Ca2 .80461 .87723 .44598 .01831 |
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Na1 .29777 .86755 .4346 .0286 |
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AlT11a1 .02844 .49169 .28751 .0080 |
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AlT11a2 .52883 .49306 .28907 .0098 |
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AlT11b1 .87079 .02570 .26861 .0075 |
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AlT11b2 .37495 .03013 .27589 .0087 |
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SiT12a1 .37201 .46214 .29001 .0093 |
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SiT12a2 .87106 .46418 .28681 .0087 |
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SiT12b1 .53421 .00003 .28286 .0107 |
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SiT12b2 .03764 -.00150 .29276 .0077 |
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SiT21a1 .43055 .64274 .93572 .0099 |
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SiT21a2 .92821 .64052 .92854 .0087 |
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SiT21b1 .79195 .85668 .01889 .0078 |
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SiT21b2 .29368 .85804 .03109 .0084 |
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AlT22a1 .29112 .64051 .99642 .0089 |
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AlT22a2 .78790 .63934 .98581 .0090 |
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AlT22b1 .93495 .86340 .95613 .0080 |
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AlT22b2 .43047 .86598 .94411 .0090 |
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O11a1 .32887 .5601 .1795 .0191 |
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O11a2 .82589 .5612 .1755 .0182 |
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O11b1 .51464 .9138 .1437 .0150 |
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O11b2 .01834 .9097 .1620 .0138 |
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O12a1 -.00618 .5851 .1255 .0178 |
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O12a2 .49271 .5879 .1336 .0219 |
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O12b1 .82500 .9166 .2062 .0141 |
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O12b2 .33359 .9193 .2178 .0148 |
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O21a1 .31560 .3733 .1849 .0151 |
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O21a2 .81019 .3759 .1938 .0121 |
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O21b1 .58569 .0802 .2576 .0149 |
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O21b2 .07803 .0826 .2434 .0123 |
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O22a1 .07289 .4007 .2443 .0174 |
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O22a2 .56709 .4014 .2306 .0181 |
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O22b1 .80339 .1142 .1153 .0146 |
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O22b2 .30379 .1181 .1362 .0186 |
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O31a .54043 .2499 .0415 .0180 |
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O31b .04227 .2528 .0452 .0181 |
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O32a .19655 .2519 .9143 .0157 |
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O32b .69751 .2513 .9050 .0146 |
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O41a .45767 .4419 .3144 .0179 |
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O41b .95249 .4418 .2966 .0159 |
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O42a .95757 .0391 .2729 .0143 |
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O42b .45140 .0468 .2427 .0189 |
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O51a .33584 .6396 .8706 .0161 |
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O51b .83552 .6349 .8697 .0186 |
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O52a .84355 .8837 .9338 .0162 |
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O52b .33933 .8775 .9277 .0154 |
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O61a .38921 .4655 .4974 .0146 |
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O61b .89235 .4634 .4981 .0126 |
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O62a .40581 .0463 .5041 .0178 |
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O62b .88963 .0335 .4905 .0130 |
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Wat1 .8871 .7439 .4771 .0297 |
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Wat2 .0646 .7391 .4181 .0408 |
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Wat3A .1543 .8573 .1475 .0344 |
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Wat3B .6626 .8808 .1736 .0274 |
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Wat3C .1391 .6690 .2085 .0478 |
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Wat3D .6850 .6313 .2069 .093 |
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Wat4A .2503 .2550 .4746 .0389 |
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Wat4B .7734 .1803 .4227 .0218 |
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Wat5A .2488 .5004 .4791 .0337 |
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Wat5B .2520 .0352 .4237 .0260 |
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Wat6 .5291 .2673 .5426 .0582 |
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Wat7 .3105 .6972 .4630 .0265 |
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|
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SrY2Si3O10 |
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Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
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European Journal of Mineralogy 22 (2010) 245-258 |
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Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
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(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
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including a review on the geometry of the Si3O10 unit |
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Locality: synthetic |
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_database_code_amcsd 0017778 |
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6.757 6.885 9.273 72.42 86.37 88.37 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr .40204 1.09633 .18129 .00803 .00836 .01022 .00671 .00034 .00009 -.00451 |
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Y1 .14049 .75395 .50868 .00539 .00665 .00544 .00376 -.00029 .00062 -.00106 |
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Y2 .15773 .26100 .80949 .00603 .00719 .00706 .00368 .00070 -.00052 -.00145 |
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Si1 -.32710 .72724 .54106 .00477 .0055 .0059 .0031 -.0004 .0006 -.0017 |
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Si2 -.33578 .35808 .83142 .00482 .0059 .0057 .0028 -.0008 .0001 -.0011 |
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Si3 .12082 .74399 .87301 .00546 .0073 .0060 .0036 -.0011 .0004 -.0023 |
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O1 .4686 .7914 .4625 .0092 .0064 .0114 .0089 .0004 -.0020 -.0016 |
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O2 .1770 .3968 .5462 .0072 .0101 .0071 .0044 .0005 .0009 -.0019 |
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O3 .1810 1.1010 .4333 .0076 .0073 .0080 .0078 -.0016 -.0002 -.0029 |
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O4 .3855 1.4143 .2811 .0087 .0116 .0076 .0052 .0009 .0022 -.0002 |
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O5 .4686 .2219 .8815 .0076 .0073 .0087 .0062 -.0018 .0015 -.0015 |
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O6 .1697 .7576 .2502 .0081 .0073 .0102 .0073 .0003 .0008 -.0039 |
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O7 -.2599 .3853 .9877 .0112 .014 .0125 .0080 .0032 -.0058 -.0039 |
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O8 .0871 .2050 1.0522 .0097 .0090 .0143 .0070 .0010 .0017 -.0056 |
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O9 .2298 -.0463 .7819 .0113 .0128 .0078 .0122 -.0026 .0041 -.0020 |
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O10 .1131 .6029 .7609 .0077 .0114 .0079 .0043 .0007 -.0014 -.0025 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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BaGd2Si3O10 |
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Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
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European Journal of Mineralogy 22 (2010) 245-258 |
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Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
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(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
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including a review on the geometry of the Si3O10 unit |
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Locality: synthetic |
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_database_code_amcsd 0017779 |
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5.435 12.241 6.932 90 106.26 90 P2_1/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba .76309 .25 .01950 .01043 .01082 .01265 .00833 .0 .00353 .0 |
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Gd .16111 .097282 .68786 .00711 .00864 .00756 .00498 -.00145 .00171 -.00072 |
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Si1 .5857 .25 .49058 .00606 .0053 .0089 .0041 .0 .0015 .0 |
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Si2 .30424 .06480 .21522 .00630 .0072 .0073 .0046 .0006 .0018 .0004 |
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O1 .3802 .25 .6184 .0084 .0087 .0069 .0106 .0 .0044 .0 |
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O2 .8778 .25 .6341 .0072 .004 .0073 .0075 .0 -.0028 .0 |
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O3 .5502 .1427 .3423 .0114 .0086 .0148 .0112 -.0029 .0034 -.0055 |
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O4 .4235 -.05280 .1889 .0123 .0123 .0097 .0138 .0031 .0019 -.0009 |
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O5 .1715 .1272 .0083 .0119 .0149 .0148 .0062 .0042 .0033 .0015 |
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O6 .0993 .0557 .3489 .0103 .0099 .0146 .0072 -.0037 .0038 -.0027 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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BaEr2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017780 |
|
5.389 12.163 6.840 90 106.47 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .76044 .25 .02001 .00912 .00924 .01048 .00822 .0 .00341 .0 |
|
Er .15699 .099147 .68359 .00606 .00676 .00609 .00530 -.00096 .00168 -.00052 |
|
Si1 .5821 .25 .48901 .0055 .0049 .0069 .0043 .0 .0006 .0 |
|
Si2 .30418 .06145 .21296 .00539 .0059 .0055 .0048 .0005 .0016 .0004 |
|
O1 .3664 .25 .6120 .0055 .0077 .0062 .0090 .0 .0028 .0 |
|
O2 .8764 .25 .6349 .0069 .0073 .0060 .0058 .0 -.0010 .0 |
|
O3 .5486 .1428 .3391 .0100 .0088 .0116 .0102 -.0021 .0038 -.0036 |
|
O4 .4324 -.05483 .1907 .0098 .0094 .0073 .0124 .0008 .0027 -.0011 |
|
O5 .1653 .12321 .0035 .0097 .0125 .0111 .0059 .0037 .0034 .0021 |
|
O6 .1007 .05103 .3510 .0087 .0096 .0107 .0071 -.0033 .0044 -.0021 |
|
|
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|
| |
|
BaYb2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017781 |
|
5.377 12.1172 6.790 90 106.50 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .76007 .25 .02023 .00782 .00857 .00896 .00648 .0 .00306 .0 |
|
Yb .15608 .099687 .681861 .00473 .00563 .00490 .00360 -.00092 .00122 -.00038 |
|
Si1 .5806 .25 .48781 .00444 .0041 .0056 .0038 .0 .0014 .0 |
|
Si2 .30406 .05998 .21198 .00450 .0049 .0049 .0036 .0001 .0011 .0001 |
|
O1 .3693 .25 .6147 .0075 .0040 .0054 .0081 .0 .0030 .0 |
|
O2 .8767 .25 .6342 .0054 .0032 .0062 .0052 .0 -.0014 .0 |
|
O3 .5473 .14243 .3370 .0080 .0069 .0099 .0077 -.0032 .0028 -.0035 |
|
O4 .4365 -.05640 .1921 .0088 .0085 .0056 .0116 .0014 .0017 -.0012 |
|
O5 .1620 .12120 -.0012 .0089 .0111 .0114 .0042 .0045 .0021 .0015 |
|
O6 .1018 .04972 .3521 .0077 .0074 .0091 .0075 -.0026 .0036 -.0016 |
|
|
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|
| |
|
BaSc2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017782 |
|
5.273 11.9181 6.591 90 107.06 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .76012 .25 .02596 .00801 .00872 .00892 .00713 .0 .00345 .0 |
|
Sc .15220 .10169 .67722 .00500 .00530 .00548 .00416 -.00060 .00128 -.00031 |
|
Si1 .57325 .25 .48861 .00458 .0038 .0058 .0042 .0 .0014 .0 |
|
Si2 .30205 .05428 .20976 .00468 .0049 .0052 .0040 .00035 .00150 .00043 |
|
O1 .3466 .25 .6085 .0065 .0065 .0060 .0082 .0 .0041 .0 |
|
O2 .8764 .25 .6375 .0063 .0047 .0072 .0059 .0 -.0002 .0 |
|
O3 .5414 .14231 .3320 .0087 .0089 .0091 .0094 -.0026 .0046 -.0038 |
|
O4 .4547 -.06061 .1994 .0080 .0064 .0064 .0104 .0011 .0013 -.0007 |
|
O5 .1494 .11263 -.0135 .0089 .0105 .0105 .0056 .0033 .0022 .0013 |
|
O6 .0995 .04364 .3570 .0069 .0070 .0087 .0054 -.0020 .0026 -.0015 |
|
|
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|
| |
|
Heftetjernite |
| |
Kolitsch U, Kristiansen R, Raade G, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 309-316 |
|
Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway |
|
Locality: the Heftetjern pegmatite, Tordal, Norway |
|
_database_code_amcsd 0007337 |
|
4.784 5.693 5.120 90 91.15 90 P2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sc .5 .67390 .25 .50 .00540 .0046 .0065 .0051 0 .00044 0 |
|
Sn .5 .67390 .25 .20 .00540 .0046 .0065 .0051 0 .00044 0 |
|
Mn .5 .67390 .25 .18 .00540 .0046 .0065 .0051 0 .00044 0 |
|
Fe .5 .67390 .25 .07 .00540 .0046 .0065 .0051 0 .00044 0 |
|
Ti .5 .67390 .25 .05 .00540 .0046 .0065 .0051 0 .00044 0 |
|
Ta .0 .17541 .25 .580 .00513 .00486 .00506 .00546 0 -.00057 0 |
|
Nb .0 .17541 .25 .420 .00513 .00486 .00506 .00546 0 -.00057 0 |
|
O1 .2197 .1076 .9325 .0101 .0101 .0101 .0103 -.0010 .0001 -.0012 |
|
O2 .2644 .3845 .4067 .0097 .0092 .0099 .0098 .0017 -.0005 .0000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pb3Fe2(PO4)4(H2O) |
| |
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R, |
|
Matsubara S, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 595-604 |
|
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure |
|
with double-strand chains |
|
Locality: synthetic |
|
T = 220 C |
|
_database_code_amcsd 0017730 |
|
9.0440 9.0440 16.766 90 90 90 P4_12_12 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .13213 .13213 0 .01348 .0132 .0132 .0140 -.0026 .00283 -.00283 |
|
Pb2 .07837 .34364 .26523 .02156 .0256 .0270 .0121 -.0060 -.0006 .0007 |
|
Fe .5003 .25894 .12075 .0047 .0040 .0066 .0033 -.0003 .0001 -.0004 |
|
P1 .2283 .4920 .07791 .0069 .0059 .0114 .0034 .0021 .0008 -.0007 |
|
P2 .4681 .2687 .31889 .0074 .0139 .0021 .0063 -.0022 .0008 .0001 |
|
O1 .5226 .2219 .2380 .017 .021 .025 .004 -.002 .001 -.001 |
|
O2 .1025 .3816 .0675 .0143 .008 .017 .018 -.004 -.002 -.006 |
|
O3 .3401 .3772 .3149 .018 .027 .012 .015 .011 .004 .000 |
|
O4 .3589 .4244 .1252 .0102 .009 .012 .009 .007 -.006 -.003 |
|
O5 .0960 .1684 .3809 .0106 .010 .014 .008 .009 .002 .002 |
|
O6 .4234 .1281 .3665 .0074 .011 .006 .005 -.001 .000 .003 |
|
O7 .2169 .0449 .2528 .0157 .016 .025 .006 .001 .004 .005 |
|
O8 .3245 .1219 .1190 .013 .009 .010 .018 -.007 -.002 .003 |
|
Wat -.150 .082 .2375 .5 .010 |
|
|
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|
| |
|
Nanlingite |
|
Yang Z, Giester G, Ding K, Tillmanns E |
| |
European Journal of Mineralogy 23 (2011) 63-71 |
|
Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration |
|
Locality: Nanling area, Hunan Province, China |
|
_database_code_amcsd 0018326 |
|
10.2114 10.2114 25.689 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As(1) 0 0 .340985 .00569 .00569 .00569 .00569 .00284 0 0 |
|
As(2) .218805 .781195 .116669 .00582 .00574 .00574 .00532 .00238 -.00030 .00030 |
|
Fe 0 0 .5 .00564 .00599 .00599 .00495 .00300 0 0 |
|
Mg(1) .90403 .45201 .10159 .846 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
|
Fe(1) .90403 .45201 .10159 .154 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
|
Mg(2) .65072 0 0 .982 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
|
Fe(2) .65072 0 0 .018 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
|
Ca .88623 .11377 .11426 .727 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
|
Na .88623 .11377 .11426 .050 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
|
Li .8755 .1245 .0928 .223 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
|
Na 0 0 0 .918 .0152 .0184 .0184 .0087 .0092 0 0 |
|
Li 0 0 0 .082 .0152 .0184 .0184 .0087 .0092 0 0 |
|
O(1) .42367 .84734 -.02334 .00741 .0080 .0062 .0074 .0031 .00036 .0007 |
|
O(2) .67253 .06133 -.07812 .00957 .0096 .0086 .0077 .0025 .0007 .0029 |
|
O(3) .86125 .13875 -.15542 .0135 .0164 .0164 .0095 .0095 .0030 -.0030 |
|
F(1) 0 0 .08423 .0330 .0382 .0382 .0226 .0191 0 0 |
|
F(2) .23719 .76281 -.11937 .0194 .0142 .0142 .0193 -.0007 .0029 -.0029 |
|
F(3) .27621 .13811 .02104 .01185 .0155 .0093 .0128 .0077 .0004 .00020 |
|
|
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|
| |
|
Grossular |
|
Arni R, Langer K, Tillmanns E |
| |
Physics and Chemistry of Minerals 12 (1985) 279-282 |
|
Mn3+ in garnets III. Absence of Jahn-Teller distortion |
|
in synthetic Mn3+ -bearing garnet |
|
_database_code_amcsd 0007369 |
|
11.867 11.867 11.867 90 90 90 Ia3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaX .125 0 .25 .81 .0051 .0091 .0091 0 0 .0030 |
|
MnX .125 0 .25 .19 .0051 .0091 .0091 0 0 .0030 |
|
AlY 0 0 0 .64 .0047 .0047 .0047 .0001 .0001 .0001 |
|
MnY 0 0 0 .36 .0047 .0047 .0047 .0001 .0001 .0001 |
|
Si .375 0 .25 .0082 .0073 .0073 0 0 0 |
|
O .0374 .0470 .6532 .009 .008 .009 .0010 .0005 .0001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na3PO4(NaOH).167*12H2O |
| |
Tillmanns E, Baur W H |
 |
Acta Crystallographica B27 (1971) 2124-2132 |
|
On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo |
|
trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts |
|
_database_code_amcsd 0009400 |
|
11.890 11.890 12.671 90 90 120 P-3c1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .3455 -.0199 .0259 .00919 .00683 .00451 .00330 .00134 .00038 |
|
NaA 0 0 0 .335 .00565 .00565 .00716 .00282 0 0 |
|
OHA 0 0 0 .335 .00565 .00565 .00716 .00282 0 0 |
|
P 1/3 2/3 .7161 .00353 .00353 .00186 .00188 0 0 |
|
O1 1/3 2/3 .5967 .00730 .00730 .00280 .00353 0 0 |
|
O2 .4612 .6810 .7566 .00471 .00518 .00342 .00282 -.00038 -.00019 |
|
Wat3 .4600 .2145 .0392 .00589 .00565 .00451 .00282 -.00038 -.00057 |
|
Wat4 -.0066 .5251 .3755 .00613 .00778 .00327 .00306 -.00019 -.00038 |
|
Wat5 .1083 .3220 .1869 .00683 .00707 .00498 .00306 .00115 .00000 |
|
Wat6 .0209 .1873 .9033 .01037 .01391 .01261 .00495 -.00268 -.00076 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na3VO4(NaOH).155*12H2O |
| |
Tillmanns E, Baur W H |
|
Acta Crystallographica B27 (1971) 2124-2132 |
|
On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo |
|
trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts |
|
_database_code_amcsd 0009401 |
|
12.038 12.038 12.833 90 90 120 P-3c1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .3470 -.0205 .0285 .01058 .00851 .00485 .00414 .00186 .00037 |
|
V 1/3 2/3 .7146 .00368 .00368 .00227 .00184 0 0 |
|
NaA 0 0 0 .31 .00368 .00368 .00561 .00184 0 0 |
|
OHA 0 0 0 .31 .00368 .00368 .00561 .00184 0 0 |
|
O1 1/3 2/3 .5839 .01081 .01081 .00273 .00529 0 0 |
|
O2 .4748 .6860 .7585 .00552 .00690 .00379 .00322 -.00018 .00000 |
|
Wat3 .4554 .2112 .0414 .00690 .00437 .00485 .00299 -.00112 -.00093 |
|
Wat4 -.0070 .5279 .3763 .00644 .00713 .00349 .00299 .00018 -.00093 |
|
Wat5 .1025 .3165 .1831 .00759 .00782 .00425 .00368 .00037 -.00037 |
|
Wat6 .0190 .1844 .9069 .01127 .01771 .01654 .00736 -.00149 .00037 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na3AsO4(NaOH).13*12H2O |
| |
Tillmanns E, Baur W H |
|
Acta Crystallographica B27 (1971) 2124-2132 |
|
On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo |
|
trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts |
|
_database_code_amcsd 0009402 |
|
12.017 12.017 12.783 90 90 120 P-3c1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .3473 -.0201 .0275 .01015 .00761 .00443 .00369 .00150 .00000 |
|
As 1/3 2/3 .7126 .00392 .00392 .00214 .00196 0 0 |
|
NaA 0 0 0 .26 .00831 .00831 .01116 .00415 0 0 |
|
OHA 0 0 0 .26 .00831 .00831 .01116 .00415 0 0 |
|
O1 1/3 2/3 .5820 .00761 .00761 .00260 .00380 0 0 |
|
O2 .4727 .6861 .7568 .00577 .00530 .00443 .00323 .00018 .00000 |
|
Wat3 .4543 .2107 .0403 .00715 .00554 .00443 .00323 -.00037 -.00037 |
|
Wat4 -.0061 .5278 .3778 .00623 .00877 .00306 .00300 .00018 -.00018 |
|
Wat5 .1041 .3176 .1817 .00784 .00738 .00489 .00323 .00037 -.00018 |
|
Wat6 .0177 .1872 .9140 .01569 .01938 .01912 .00877 -.00451 -.00225 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tsumcorite |
|
Tillmanns E, Gebert W |
|
Acta Crystallographica B29 (1973) 2789-2794 |
|
The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa |
|
Locality: Tsumeb mine, Namibia, Africa |
|
_database_code_amcsd 0009499 |
|
9.124 6.329 7.577 90 115.28 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 0 0 .006721 .010797 .006604 0 .001504 0 |
|
Zn .25 .25 .5 .5 .002204 .003308 .003302 .000000 .000619 .000000 |
|
Fe3+ .25 .25 .5 .38 .002204 .003308 .003302 .000000 .000619 .000000 |
|
Fe2+ .25 .25 .5 .12 .002204 .003308 .003302 .000000 .000619 .000000 |
|
As .9179 .5 .2155 .001910 .004993 .003036 0 .001415 0 |
|
O2 .3104 0 .3545 .002571 .009362 .005858 0 .002654 0 |
|
O3 .0348 .2808 .2650 .002938 .004993 .004793 .000000 .000885 -.001153 |
|
O4 .2215 .5 .0147 .003673 .019972 .003728 0 -.000442 0 |
|
Wat1 .3405 .5 .4066 .5 .002204 .008114 .005858 0 .002654 0 |
|
OH1 .3405 .5 .4066 .5 .002204 .008114 .005858 0 .002654 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Natrophosphate |
|
Baur W H, Tillmanns E |
|
Acta Crystallographica B30 (1974) 2218-2224 |
|
Salt hydrates. X. The crystal structure determinations of heptasodium fluoride |
|
bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and |
|
the computer simulation of the isomorphous vanadate salt |
|
Note: not all H were located |
|
Locality: synthetic |
|
_database_code_amcsd 0009515 |
|
27.7550 27.7550 27.7550 90 90 90 *Fd3c |
|
.375 .375 .375 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .48768 .08448 .01325 .00097 .00107 .00084 -.00009 .00003 .00003 |
|
NaA .20173 .20173 .20173 .5 .00155 .00155 .00155 -.00003 -.00003 -.00003 |
|
P1 .125 .125 .125 .00068 .00068 .00068 0 0 0 |
|
P2 .875 .125 .125 .00061 .00061 .00045 0 0 0 |
|
O1 .13886 .07914 .09940 1/3 .00175 .00126 .00136 .00013 .00019 -.00064 |
|
O2 .40697 .08099 .13524 .00081 .00071 .00087 .00013 -.00006 .00006 |
|
Ow3 .07205 .00249 .09648 .00084 .00123 .00094 -.00006 -.00016 .00016 |
|
Ow4 .40311 .07079 .01069 .00094 .00094 .00087 .00026 -.00009 .00000 |
|
Ow5 .28464 .03587 .08242 .00272 .00110 .00120 -.00064 .00058 -.00013 |
|
F 0 0 0 .00077 .00077 .00077 .00003 .00003 .00003 |
|
WatA .20173 .20173 .20173 .5 .00155 .00155 .00155 -.00003 -.00003 -.00003 |
|
H31 .094 .023 .112 3.1 |
|
H32 .275 .136 .084 3.1 |
|
H42a .382 .086 .034 .5 2.9 |
|
H42b .418 .016 .113 .5 2.9 |
|
H52 .445 .166 .060 5.2 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na6F(H2O)18(NaH2O)(AsO4)2 |
| |
Baur W H, Tillmanns E |
|
Acta Crystallographica B30 (1974) 2218-2224 |
|
Salt hydrates. X. The crystal structure determination of heptasodium fluoride |
|
bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the |
|
computer simulation of the isomorphous vanadate salt |
|
_database_code_amcsd 0009516 |
|
28.12 28.12 28.12 90 90 90 *Fd3c |
|
.375 .375 .375 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .4875 .0838 .0135 .00066 .00094 .00072 -.00025 .00009 -.00019 |
|
F 0 0 0 .00066 .00066 .00066 .00015 .00015 .00015 |
|
NaA .2032 .2032 .2032 .5 .00142 .00142 .00142 -.00006 -.00006 -.00006 |
|
WatA .2032 .2032 .2032 .5 .00142 .00142 .00142 -.00006 -.00006 -.00006 |
|
As1 .125 .125 .125 .00044 .00044 .00044 0 0 0 |
|
As2 .875 .125 .125 .00041 .00041 .00034 0 0 0 |
|
O1 .1387 .0760 .0950 1/3 .00145 .00243 .00129 .00031 -.00069 -.00085 |
|
O2 .4099 .0773 .1375 .00050 .00047 .00050 .00022 -.00006 .00012 |
|
Wat3 .0725 .0023 .0963 .00069 .00110 .00056 .00006 -.00012 .00019 |
|
Wat4 .4027 .0699 .0112 .00091 .00053 .00075 .00015 -.00015 .00006 |
|
Wat5 .2842 .0344 .0829 .00249 .00082 .00104 -.00044 .00082 -.00028 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Combeite |
|
Fischer R X, Tillmanns E |
|
Acta Crystallographica C43 (1987) 1852-1854 |
|
Revised data for combeite, Na2Ca2Si3O9 |
|
Locality: synthetic low-temperature form |
|
_database_code_amcsd 0010050 |
|
10.464 10.464 13.176 90 90 120 P3_121 |
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atom x y z occ Uiso |
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Na1 .3125 .9845 .5889 .52 .016 |
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Ca1 .3125 .9845 .5889 .43 .016 |
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Na21 .5032 .3366 .6644 .023 |
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Na22 .8115 0 1/3 .40 .049 |
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Na31 .5196 .3618 .1579 .48 .023 |
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Ca31 .5196 .3618 .1579 .47 .023 |
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Ca32 .8217 0 5/6 .010 |
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Ca4 .3083 0 1/3 .007 |
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Sil .1978 .1523 .7759 .007 |
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Si2 .4973 .3207 .8958 .007 |
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Si3 .6269 .1489 .7643 .007 |
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Ol .1616 0 5/6 .028 |
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O2 .5591 0 5/6 .028 |
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O3 .3445 .2787 .8354 .017 |
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O4 .5861 .2639 .8217 .021 |
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O5 .2439 .1479 .6611 .016 |
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O6 .4683 .2435 .0015 .023 |
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O7 .5547 .1109 .6552 .019 |
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O8 .0688 .1892 .7922 .013 |
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O9 .5939 .4961 .8881 .018 |
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O10 .8011 .2184 .7774 .016 |
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Combeite |
|
Fischer R X, Tillmanns E |
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Acta Crystallographica C43 (1987) 1852-1854 |
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Revised data for combeite, Na2Ca2Si3O9 |
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Locality: synthetic high-temperature form |
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_database_code_amcsd 0010051 |
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10.429 10.429 13.149 90 90 120 R-3m |
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atom x y z occ Uiso |
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Na1 0 0 .2505 .60 .019 |
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Ca1 0 0 .2505 .40 .019 |
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Na2 .5 0 0 .76 .028 |
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Na3 .5 0 .5 .60 .023 |
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Ca3 .5 0 .5 .40 .023 |
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Ca4 0 0 0 .012 |
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Sil .1511 -.1511 .5642 .014 |
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Ol .2511 0 .5 .050 |
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O2 .1150 -.1150 .6740 .034 |
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O3 .2385 -.2385 .5548 .038 |
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Hentschelite |
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Sieber N H W, Tillmanns E, Hofmeister W |
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Acta Crystallographica C43 (1987) 1855-1857 |
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Structure of hentschelite, CuFe2(PO4)2(OH)2, a new member of the lazulite group |
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Locality: silicified barite vein, Reichenbach, Odenwald, Germany |
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_database_code_amcsd 0010052 |
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6.984 7.786 7.266 90 117.68 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 0 .0090 .0058 .0103 .0098 -.0015 .0026 .0037 |
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Fe .2799 .2738 .0122 .0068 .0075 .0061 .0073 .0000 .0040 .0001 |
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P .5002 .0970 .7485 .0047 .0049 .0041 .0060 .0005 .0033 .0007 |
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O1 .2928 -.0102 .6348 .0093 .0068 .0088 .0117 -.0019 .0037 -.0031 |
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O2 .4751 .2153 .9026 .0113 .0122 .0127 .0121 -.0018 .0084 -.0052 |
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O3 .6901 -.0318 .8626 .0093 .0060 .0078 .0121 .0010 .0026 .0038 |
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O4 .5503 .2035 .5990 .0103 .0113 .0101 .0126 .0013 .0083 .0039 |
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OH5 .5226 .3711 .2703 .0072 .0083 .0077 .0066 -.0003 .0042 -.0001 |
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(NH4)(Zn,Ga)2(PO4)2 |
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Mrak M, Kolitsch U, Kaucic V, Tillmanns E |
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Acta Crystallographica E58 (2002) i44-i48 |
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(NH4)(Zn,Ga)2(PO4)2, an open-framework structure |
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_database_code_amcsd 0010377 |
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13.370 13.190 8.998 90 100.46 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn1 .37042 .05625 .11547 .50 .01214 .00842 .01667 .01109 .00092 .00113 -.00309 |
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Ga1 .37042 .05625 .11547 .50 .01214 .00842 .01667 .01109 .00092 .00113 -.00309 |
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Zn2 .58004 .37567 .06484 .50 .01230 .00988 .01168 .01535 -.00052 .00234 -.00154 |
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Ga2 .58004 .37567 .06484 .50 .01230 .00988 .01168 .01535 -.00052 .00234 -.00154 |
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P1 .35211 .43822 .08472 .01297 .0091 .0163 .0129 -.0022 .0002 .0046 |
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P2 .57660 .13577 .04242 .01139 .0103 .0106 .0135 -.0002 .0029 .0010 |
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O1 .6526 .4051 .2552 .0491 .0523 .073 .0190 .0085 -.0003 -.0202 |
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O2 .63921 .44698 -.0795 .0257 .0287 .0188 .0332 -.0043 .0155 -.0028 |
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O3 .24507 .10156 .0141 .0251 .0132 .0209 .0374 .0020 -.0059 -.0065 |
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O4 .43892 .38788 .0219 .0293 .0111 .0226 .0549 .0019 .0083 -.0048 |
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O5 .36881 .0803 .3189 .0358 .0272 .0629 .0187 -.0208 .0079 -.0154 |
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O6 .61803 .24192 .0297 .0370 .0267 .0148 .075 -.0065 .0246 -.0068 |
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O7 .46198 .14235 .0414 .0203 .0134 .0175 .0311 -.0003 .0066 .0027 |
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O8 .40204 -.07976 .0977 .0228 .0274 .0249 .0176 .0034 .0083 -.0005 |
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N .3244 .2490 -.2222 .0294 .0212 .0418 .0259 -.0028 .0059 -.0108 |
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H1 .294 .302 -.250 .050 |
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H2 .265 .217 -.221 .050 |
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H3 .357 .222 -.287 .050 |
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H4 .371 .270 -.157 .050 |
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Sc2TiO5 |
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Kolitsch U, Tillmanns E |
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Acta Crystallographica E59 (2003) i36-i39 |
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Sc2TiO5, an entropy-stabilized pseudobrookite-type compound |
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_database_code_amcsd 0010400 |
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3.8510 10.131 10.287 90 90 90 Cmcm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc1 0 .36444 .43775 .60 .00474 .00496 .00393 .00533 0 0 -.00004 |
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Ti1 0 .36444 .43775 .40 .00474 .00496 .00393 .00533 0 0 -.00004 |
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Sc2 0 .30752 .75 .80 .00549 .0059 .0061 .0044 0 0 0 |
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Ti2 0 .30752 .75 .20 .00549 .0059 .0061 .0044 0 0 0 |
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O1 0 .45339 .61424 .0146 .0159 .0184 .0095 0 0 .0059 |
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O2 -.5 .23222 .7500 .0088 .0078 .0112 .0075 0 0 0 |
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O3 0 .19241 .57087 .0096 .0114 .0092 .0082 0 0 -.0002 |
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Bi3ScMo2O12 |
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Kolitsch U, Tillmanns E |
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Acta Crystallographica E59 (2003) i43-i46 |
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Bi3ScMo2O12: the difference from Bi3FeMo2O12 |
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_database_code_amcsd 0010402 |
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16.996 11.601 5.3190 90 104.67 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .154483 .881574 .42921 .00517 .00429 .00643 .00466 .00036 .00089 .00099 |
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Bi2 0 .662245 .25 .00605 .00514 .00476 .00849 0 .00216 0 |
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Sc3 0 .09325 .25 .9589 .0063 .0037 .0133 .0022 0 .0010 0 |
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Bi3 0 .09325 .25 .0411 .0063 .0037 .0133 .0022 0 .0010 0 |
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Mo .16858 .37156 .42735 .00543 .00468 .00784 .00425 -.00094 .00201 -.00038 |
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O1 .08237 .0238 .5871 .0061 .0044 .0079 .0055 .0000 .0005 -.0011 |
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O2 .05005 .2055 .0279 .0084 .0065 .0082 .0115 .0041 .0038 .0030 |
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O3 .2165 .2877 .2330 .0111 .0098 .0120 .0129 -.0007 .0055 -.0027 |
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O4 .11628 .2825 .6196 .0093 .0096 .0096 .0110 .0011 .0069 .0031 |
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O5 .0948 .4556 .2225 .0144 .0158 .0144 .0124 .0028 .0027 .0014 |
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O6 .2466 .4544 .6306 .0122 .0142 .0115 .0095 -.0050 .0006 -.0008 |
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|
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Li3Sc(MoO4)3 |
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Kolitsch U, Tillmanns E |
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Acta Crystallographica E59 (2003) i55-i58 |
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Li3Sc(MoO4)3: substitutional disorder on three (Li,Sc) sites |
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_database_code_amcsd 0010405 |
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5.1300 10.560 17.745 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li1 .1048 .25 .25027 .58 .0289 .0522 .0172 .0172 0 .0012 0 |
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Sc1 .1048 .25 .25027 .42 .0289 .0522 .0172 .0172 0 .0012 0 |
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Li2 .7547 .57420 .02731 .749 .0129 .0112 .0150 .0125 .0003 .0007 .0022 |
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Sc2 .7547 .57420 .02731 .251 .0129 .0112 .0150 .0125 .0003 .0007 .0022 |
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Li3 .2446 .75 .3018 .922 .0237 .017 .023 .031 0 .0049 0 |
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Sc3 .2446 .75 .3018 .078 .0237 .017 .023 .031 0 .0049 0 |
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Mo1 .27559 .52755 .156515 .01468 .01428 .01484 .01493 .00046 -.00045 .00130 |
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Mo2 .77812 .25 .057110 .01320 .01243 .01373 .01345 0 .00018 0 |
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O1 .8588 .25 .15432 .0201 .0230 .0185 .0189 0 -.0035 0 |
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O2 .0531 .25 -.00495 .0194 .0171 .0184 .0227 0 .0026 0 |
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O3 .5831 .1167 .03722 .0201 .0180 .0219 .0203 -.0021 -.0015 -.0009 |
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O4 .0838 .4902 .07587 .0199 .0167 .0240 .0190 .0011 -.0006 .0014 |
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O5 .0797 .6233 .21271 .0240 .0226 .0256 .0237 .0031 .0005 -.0030 |
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O6 .3528 .38437 .20513 .0195 .0208 .0196 .0183 .0005 -.0006 .0019 |
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O7 .5554 .61262 .12713 .0208 .0203 .0209 .0210 -.0030 .0007 -.0005 |
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Zn3(BO3)2 |
| |
Baur W H, Tillmanns E |
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Zeitschrift fur Kristallographie 131 (1970) 213-221 |
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The space group and crystal structure of trizinc diorthoborate |
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_database_code_amcsd 0010709 |
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23.406 5.048 8.381 90 97.53 90 I2/c |
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atom x y z Biso |
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Zn1 .0495 .8291 .3746 .61 |
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Zn2 .1275 .6841 .7488 .53 |
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Zn3 .2095 .6921 .4992 .60 |
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B1 .0660 .3213 .5320 -.3 |
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B2 .1870 .1835 .6683 -.2 |
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O1 .0363 .2018 .6362 .2 |
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O2 .0820 .5885 .5408 .1 |
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O3 .0798 .1874 .4001 .7 |
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O4 .1843 .9117 .6632 0 |
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O5 .2149 .3132 .5537 .2 |
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O6 .1633 .6783 .2847 .4 |
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Liebauite |
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Zoller M H, Tillmanns E, Hentschel G |
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Zeitschrift fur Kristallographie 200 (1992) 115-126 |
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Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain |
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Locality: Sattelberg scoria cone, Kruft, Eifel district, Germany |
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_database_code_amcsd 0011017 |
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10.160 10.001 19.9730 90 91.56 90 C2/c |
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atom x y z Biso |
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Ca1 .5 .2251 .25 .29 |
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Ca2 .9725 .2641 .4297 .48 |
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Cu1 .25 .25 .5 .61 |
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Cu2 .2312 .2581 .3391 .60 |
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Cu3 .9704 .0105 .3284 .56 |
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Si1 .9967 .7545 .4117 .42 |
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Si2 .1987 .5451 .4066 .45 |
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Si3 .2275 .5348 .6960 .56 |
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Si4 0 .7200 .75 .47 |
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Si5 .2854 .5348 .5511 .25 |
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O1 .0902 .6469 .3721 .85 |
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O2 .9135 .8293 .3526 .49 |
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O3 .9583 .8067 .6842 .24 |
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O4 .9141 .6854 .4672 .75 |
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O5 .1886 .3830 .7089 .55 |
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O6 .1570 .3919 .3954 .65 |
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O7 .3786 .5716 .7161 .66 |
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O8 .1889 .5768 .4882 .24 |
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O9 .1957 .5769 .6159 .51 |
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O10 .1286 .6277 .7386 .59 |
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O11 .3420 .3861 .5547 .38 |
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O12 .5947 .3596 .4516 .70 |
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O13 .1572 .0897 .1151 .90 |
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Cornubite |
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Tillmanns E, Hofmeister W, Petitjean K |
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Bulletin of the Geological Society of Finland 57 (1985) 119-127 |
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Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals, |
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mineralogical description and crystal structure |
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Locality: Reichenbach, Odenwald near Bensheim, Hessen, West Germany |
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_database_code_amcsd 0012147 |
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6.121 6.251 6.790 92.93 111.30 107.47 P-1 |
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atom x y z Biso |
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Cu(l) .0 .0 .0 .54 |
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Cu(2) -.00406 .32402 .33203 .62 |
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Cu(3) .50677 .32154 .32393 .54 |
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As .44718 .17614 .79809 .48 |
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O(1) .8327 .6883 .8602 .56 |
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O(2) .8386 .9905 .2147 .71 |
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O(3) .6034 .0162 .7386 .74 |
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O(4) .8383 .3443 .5329 .59 |
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O(5) .3818 .3395 .6067 .67 |
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O(6) .3650 .6572 .9623 .78 |
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|
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Byelorussite-(Ce) |
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Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Krotova O D |
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Crystallography Reports 49 (2004) 964-968 |
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Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O |
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Locality: Diabazavoe occurence, Zhitkovichi District, Belarus |
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_database_code_amcsd 0012389 |
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22.301 10.514 9.669 90 90 90 Ama2 |
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atom x y z occ Uiso |
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Na .5 .5 .3203 .95 .0283 |
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K .5 .5 .3203 .05 .0283 |
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Mn .5 .5 0 .52 .0165 |
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Zn .5 .5 0 .27 .0165 |
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Fe .5 .5 0 .16 .0165 |
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Mg .5 .5 0 .05 .0165 |
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Ba1 .75 -.07387 .3615 .95 .0202 |
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Sr1 .75 -.07387 .3615 .05 .0202 |
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Ba2 .75 -.04209 -.1267 .95 .0187 |
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Sr2 .75 -.04209 -.1267 .05 .0187 |
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Ce .52267 .18439 .1269 .01638 |
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Ti .68617 .19084 .1336 .0125 |
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Si1 .62861 .4743 .1345 .0128 |
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Si2 .60320 .2019 -.1689 .0135 |
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Si3 .61373 .1771 .4339 .0129 |
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Si4 .62760 .4057 -.3966 .0139 |
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O1 .6824 .0055 .1150 .0168 |
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O2 .75 -.2997 .5028 .0147 |
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O3 .4374 .0415 .0630 .0208 |
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O4 .75 .1792 .2640 .0136 |
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O5 .5617 .4176 .1265 .0206 |
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O6 .6357 .5758 .2638 .0191 |
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O7 .6152 .1733 .2667 .0157 |
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O8 .6232 .2081 -.0092 .0178 |
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O9 .6822 .3743 .1579 .0165 |
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O10 .6519 .3032 -.5138 .0175 |
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O11 .6497 .0507 .4930 .0180 |
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O12 .6302 .3273 -.2494 .0224 |
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O13 .5493 .1752 .5065 .0184 |
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O14 .5317 .1985 -.1781 .0244 |
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F .5 .5 -.2031 .7 .028 |
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OH .5 .5 -.2031 .3 .028 |
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Wat .75 .6968 .1761 .040 |
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|
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Parakeldyshite |
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Pekov I V, Zubkova N V, Pushcharovsky D Y, Kolitsch U, Tillmanns E |
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Crystallography Reports 52 (2007) 1066-1071 |
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Refined crystal structure of parakeldyshite and genetic crystal |
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chemistry of zirconium minerals with [Si2O7] diorthogroups |
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Locality: Alluaiv Mountain (Lovozero), Kola Peninsula, Russia |
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_database_code_amcsd 0018674 |
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6.617 8.813 5.426 87.26 85.68 71.75 P-1 |
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atom x y z occ Uiso |
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Na1 .8769 .09573 -.25739 .819 .0209 |
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H1 .8769 .09573 -.25739 .066 .0209 |
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Na1' .827 .0624 -.2682 .085 .0209 |
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Na1" .759 .004 -.274 .030 .0209 |
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Na2 .34251 .50132 .23243 .01722 |
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Zr .289623 .270621 -.221466 .00530 |
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Si1 .64397 .14776 .22433 .00560 |
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Si2 .93730 .33444 .31565 .00551 |
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O1 .29140 .03947 -.16584 .01355 |
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O2 .87893 .16677 .27825 .01047 |
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O3 .49007 .20905 .46593 .01444 |
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O4 .56307 .25335 -.02375 .00894 |
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O5 .00766 .31950 .59858 .00951 |
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O6 .12482 .33736 .11279 .01042 |
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O7 .27715 .51311 -.28980 .00902 |
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|
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Elpidite |
|
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y, |
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Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V |
| |
Crystallography Reports 56 (2011) 832-841 |
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Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) |
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and its K- and Rb-exchanged forms |
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Locality: Kahn Bogdo, Mongolia |
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_database_code_amcsd 0018522 |
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7.1312 14.6853 14.6349 90 90 90 Pbcm |
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atom x y z occ Uiso |
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Na(1) .4449 .23175 .75 .0477 |
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Na(2) -.00275 .25 .5 .0151 |
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Zr .49658 .25 .5 .00804 |
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Si(1) .77343 .38628 .64604 .01028 |
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Si(2) .50598 .04735 .64184 .01005 |
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Si(3) .21944 .39130 .64439 .01016 |
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O(1) .99571 .40384 .63913 .0179 |
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O(2) .7195 .35610 .75 .0183 |
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O(3) .7095 .30908 .57729 .0178 |
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O(4) .6779 .48448 .62422 .0195 |
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O(5) .5210 .07108 .75 .0192 |
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O(6) .49255 .14009 .58783 .0177 |
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O(7) .3072 .48949 .61315 .0167 |
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O(8) .2826 .37415 .75 .0177 |
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O(9) .2893 .30986 .58199 .0174 |
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Wat(1) .0080 .11320 .58101 .0344 |
|
Wat(2) .1213 .1883 .75 .0650 |
|
|
| Download AMC data (View Text File)
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|
Elpidite |
|
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y, |
|
Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V |
| |
Crystallography Reports 56 (2011) 832-841 |
|
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) |
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and its K- and Rb-exchanged forms |
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Locality: Kahn Bogdo, Mongolia |
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Note: Rb-exchanged at 90 deg C |
|
_database_code_amcsd 0018523 |
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7.1280 14.644 14.642 90 90 90 Pbcm |
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atom x y z occ Uiso |
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Na(1) .4421 .2315 .75 .661 .0343 |
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Na(2) -.0029 .25 .5 .920 .0250 |
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Rb -.004 .1410 .5789 .10 .037 |
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Zr .49697 .25 .5 .00939 |
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Si(1) .77407 .38617 .64615 .0132 |
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Si(2) .50553 .04747 .64216 .0124 |
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Si(3) .21932 .39087 .64457 .0128 |
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O(1) .9961 .4040 .6383 .0242 |
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O(2) .7207 .3560 .75 .0226 |
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O(3) .7092 .3091 .5775 .0221 |
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O(4) .6782 .4846 .6250 .0232 |
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O(5) .5181 .0727 .75 .0219 |
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O(6) .4929 .1395 .5872 .0237 |
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O(7) .3086 .4892 .6148 .0221 |
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O(8) .2808 .3723 .75 .0225 |
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O(9) .2897 .3097 .5816 .0218 |
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Wat(1) .0088 .1145 .5805 .91 .0257 |
|
Wat(2) .1251 .1869 .75 .67 .047 |
|
Wat(3) .014 .176 .797 .10 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Elpidite-Rb |
| |
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y, |
|
Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V |
| |
Crystallography Reports 56 (2011) 832-841 |
|
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) |
|
and its K- and Rb-exchanged forms |
|
Locality: Kahn Bogdo, Mongolia |
|
Note: Rb-exchanged at 150 deg C |
|
_database_code_amcsd 0018524 |
|
14.2999 14.4408 14.7690 90 90 90 Cmca |
|
atom x y z occ Uiso |
|
Rb(1) .5 .2509 .5093 .079 .035 |
|
Rb(2) .5 .13663 .58254 .75 .0340 |
|
Rb(3) .0 .3638 .07055 .61 .0377 |
|
Rb(4) .0 .386 .0733 .22 .073 |
|
Rb(5) .5 .1391 .597 .11 .099 |
|
Na .25 .236 .75 .06 .067 |
|
Zr .25 .25 .5 .01018 |
|
Si(1) .39070 .10779 .36275 .01381 |
|
Si(2) .38954 .38148 .65364 .01386 |
|
Si(3) .24382 .04903 .64483 .01324 |
|
O(1) .1522 .1960 .40971 .0254 |
|
O(2) .1521 .01643 .3665 .0249 |
|
O(3) .25 .0803 .75 .0270 |
|
O(4) .2332 .13556 .58132 .0253 |
|
O(5) .0 .1084 .3670 .0296 |
|
O(6) .3371 -.0103 .6221 .0249 |
|
O(7) .3751 .3566 .75949 .0280 |
|
O(8) .3624 .1858 .43343 .0223 |
|
O(9) .5 .0790 .3775 .0244 |
|
Wat(1) .0648 .3294 .2436 .404 .043 |
|
Wat(2) .0 .190 .733 .10 .041 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hentschelite |
|
Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
| |
Fortschritte der Mineralogie 62 (1984) 231-232 |
|
Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
|
Locality: Reichenbach, Germany |
|
_database_code_amcsd 0012651 |
|
6.977 7.781 7.260 90 117.68 90 P2_1/n |
|
atom x y z Uiso |
|
Cu 0 0 0 .0090 |
|
Fe .28000 .27388 .01234 .0068 |
|
P .50023 .09689 .74830 .0047 |
|
O1 .2931 .9895 .6352 .0093 |
|
O2 .4757 .2150 .9023 .0113 |
|
O3 .6903 .9683 .8625 .0093 |
|
O4 .5505 .2036 .5991 .0103 |
|
OH5 .5232 .3714 .2712 .0072 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cornubite |
|
Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
| |
Fortschritte der Mineralogie 62 (1984) 231-232 |
|
Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
|
Locality: Reichenbach, Germany |
|
_database_code_amcsd 0012652 |
|
6.121 6.251 6.790 92.93 111.30 107.47 P-1 |
|
atom x y z Biso |
|
Cu1 0 0 0 .54 |
|
Cu2 .99594 .32402 .33203 .62 |
|
Cu3 .50677 .32154 .32393 .54 |
|
As .44718 .17614 .79809 .48 |
|
O2 .8386 .9905 .2147 .71 |
|
O3 .6034 .0162 .7386 .74 |
|
O5 .3818 .3395 .6067 .67 |
|
O6 .3650 .6572 .9623 .78 |
|
OH1 .8327 .6883 .8602 .56 |
|
OH4 .8383 .3443 .5329 .59 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Carlinite |
|
Giester G, Lengauer C L, Tillmanns E, Zemann J |
| |
Journal of Solid State Chemistry 168 (2002) 322-330 |
|
Tl2S: Re-determination of crystal structure and stereochemical discussion |
|
Locality: synthetic |
|
_database_code_amcsd 0014029 |
|
12.150 12.150 18.190 90 90 120 R3 |
|
atom x y z Uiso |
|
Tl1 .1257 .2030 -.0781 .0457 |
|
Tl2 .4685 .9065 -.0969 .0452 |
|
Tl3 .8065 .5719 -.0992 .0449 |
|
Tl4 .2407 .1060 .1046 .0451 |
|
Tl5 .5399 .7488 .0846 .0453 |
|
Tl6 .8712 .4124 .0850 .0457 |
|
S1 0 0 .0365 .047 |
|
S2 1/3 2/3 -.0255 .047 |
|
S3 2/3 1/3 -.0261 .048 |
|
S4 .0025 .6630 .0269 .041 |
|
S5 .9992 .3234 -.0200 .047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Carlinite |
|
Giester G, Lengauer C L, Tillmanns E, Zemann J |
| |
Journal of Solid State Chemistry 168 (2002) 322-330 |
|
Tl2S: Re-determination of crystal structure and stereochemical discussion |
|
Sample: hypothetical idealized structure |
|
_database_code_amcsd 0014030 |
|
12.150 12.150 18.190 90 90 120 R3 |
|
atom x y z |
|
Tl1 1/9 2/9 -.0914 |
|
Tl2 4/9 8/9 -.0914 |
|
Tl3 7/9 5/9 -.0914 |
|
Tl4 2/9 1/9 .0914 |
|
Tl5 5/9 7/9 .0914 |
|
Tl6 8/9 4/9 .0914 |
|
S1 0 0 0 |
|
S2 1/3 2/3 0 |
|
S3 2/3 1/3 0 |
|
S4 0 2/3 0 |
|
S5 0 1/3 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Paulingite-Ca |
| |
Lengauer C L, Giester G, Tillmanns E |
|
Mineralogical Magazine 61 (1997) 591-606 |
|
Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic |
|
Locality: Vinaricka Hora, Czech Republic |
|
_database_code_amcsd 0014528 |
|
35.1231 35.1231 35.1231 90 90 90 Im3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .31415 .25 .18585 .73 .0154 .0152 .016 .0152 .0011 .0025 .0011 |
|
AlT1 .31415 .25 .18585 .27 .0154 .0152 .016 .0152 .0011 .0025 .0011 |
|
SiT2 .40239 .25 .09761 .73 .0168 .0164 .018 .0164 -.0021 .002 -.0021 |
|
AlT2 .40239 .25 .09761 .27 .0168 .0164 .018 .0164 -.0021 .002 -.0021 |
|
SiT3 .31326 .24994 .09777 .73 .0164 .0149 .0190 .0152 .0024 -.0009 -.0033 |
|
AlT3 .31326 .24994 .09777 .27 .0164 .0149 .0190 .0152 .0024 -.0009 -.0033 |
|
SiT4 .45599 .10747 .04451 .73 .0182 .0193 .0183 .0169 .0054 -.0003 .0028 |
|
AlT4 .45599 .10747 .04451 .27 .0182 .0193 .0183 .0169 .0054 -.0003 .0028 |
|
SiT5 .40182 .17831 .04459 .73 .0175 .0163 .0180 .0183 .0024 -.0025 -.0029 |
|
AlT5 .40182 .17831 .04459 .27 .0175 .0163 .0180 .0183 .0024 -.0025 -.0029 |
|
SiT6 .31241 .17825 .04496 .73 .0164 .0167 .0187 .0138 -.0031 .0012 -.0008 |
|
AlT6 .31241 .17825 .04496 .27 .0164 .0167 .0187 .0138 -.0031 .0012 -.0008 |
|
SiT7 .25946 .10767 .04451 .73 .0149 .0144 .0161 .0141 -.0022 -.0003 .0029 |
|
AlT7 .25946 .10767 .04451 .27 .0149 .0144 .0161 .0141 -.0022 -.0003 .0029 |
|
SiT8 .17112 .10769 .04405 .73 .0168 .0160 .0182 .0161 .0047 .0016 .0034 |
|
AlT8 .17112 .10769 .04405 .27 .0168 .0160 .0182 .0161 .0047 .0016 .0034 |
|
O1 .1634 .0938 0 .029 .030 .029 .028 .000 0 0 |
|
O2 .2683 .0969 0 .026 .030 .029 .018 .003 0 0 |
|
O3 .3031 .1878 0 .025 .029 .030 .016 .002 0 0 |
|
O4 .4087 .1898 0 .038 .052 .036 .025 -.011 0 0 |
|
O5 .4490 .0962 0 .035 .032 .046 .028 -.003 0 0 |
|
O6 .4493 .3786 0 .030 .034 .026 .029 .002 0 0 |
|
O7 .0716 .0716 .1613 .032 .032 .032 .030 .009 .000 .000 |
|
O8 .4303 .4303 .2315 .033 .032 .032 .034 .014 .006 .006 |
|
O9 .1439 .1439 .0547 .029 .026 .026 .034 .009 -.001 -.001 |
|
O10 .2860 .2860 .1961 .034 .031 .031 .039 .008 -.004 -.004 |
|
O11 .2879 .2879 .0888 .036 .036 .036 .037 .009 .008 .008 |
|
O12 .4302 .4302 .0536 .037 .035 .035 .040 .016 -.004 -.004 |
|
O13 .2153 .1223 .0498 .027 .021 .029 .030 .004 .002 .002 |
|
O14 .2878 .1413 .0592 .034 .035 .042 .025 -.019 .002 -.003 |
|
O15 .3573 .1681 .0528 .033 .027 .038 .034 .000 -.001 .006 |
|
O16 .4268 .1411 .0572 .040 .039 .039 .041 .022 .000 .003 |
|
O17 .2997 .2163 .0685 .034 .035 .033 .035 -.004 .004 -.014 |
|
O18 .4156 .2141 .0706 .034 .033 .029 .040 -.002 -.001 -.015 |
|
O19 .3575 .2617 .0902 .031 .027 .034 .032 -.002 -.001 .007 |
|
O20 .3075 .2355 .1417 .026 .034 .025 .020 -.003 .002 .006 |
|
Ca1 .17896 .17896 .17896 .0379 |
|
Ba2 .25711 .25711 0 .75 .0494 |
|
K3 .39865 .39865 .14379 .75 .0498 |
|
Ca3 .39865 .39865 .14379 .1458 .0498 |
|
Ba3 .39865 .39865 .14379 .1041 .0498 |
|
Ca9 .4191 .2874 0 .1875 .15 |
|
Ca12 .175 0 0 .75 .150 |
|
Na13 .257 0 0 .1041 .15 |
|
Wat1 .1408 .1408 .1408 .086 |
|
Wat2 .2176 .2176 .2176 .088 |
|
Wat3 .2082 .2082 .0500 .071 |
|
Wat4 .3500 .3500 .1968 .077 |
|
Wat5 .3518 .3518 .0919 .75 .075 |
|
Wat6 .2156 .2156 .1324 .5 .097 |
|
Wat7 .1433 .1433 .2226 .5 .091 |
|
Wat8 .3369 .2737 0 .75 .085 |
|
Wat14 .410 0 0 .25 .19 |
|
Wat15 .464 .433 .143 .25 .19 |
|
Wat20 .455 0 0 .5 .19 |
|
Wat24 .311 .030 0 .2917 .19 |
|
Wat17 .0613 .0613 .0613 .25 .109 |
|
Wat22 .0270 .0270 .1224 .1041 .109 |
|
Wat23 .0302 .0302 0 .125 .109 |
|
Wat10 .2992 .5 0 .3333 .109 |
|
Wat11 .3592 .3592 0 .4167 .109 |
|
Wat16 .4553 .2465 .0204 .3958 .109 |
|
Wat19 .4544 .2845 0 .3542 .109 |
|
Wat21 .3248 .3856 .0289 .1563 .109 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bellbergite |
|
Ruedinger B, Tillmanns E, Hentschel G |
| |
Mineralogy and Petrology 48 (1993) 147-152 |
|
Bellbergite - a new mineral with the zeolite structure type EAB |
|
_database_code_amcsd 0014631 |
|
13.224 13.224 15.988 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
K .105 .21 .25 1/3 5.0 |
|
Sr 1/3 2/3 .9119 .5 2.4 |
|
Ca1 0 0 0 .5 |
|
Ca2 1/3 2/3 .130 6.9 |
|
Al1 .4215 .3313 .1538 .5 1.09 |
|
Si1 .4215 .3313 .1538 .5 1.09 |
|
Al2 .2476 0 0 .5 .36 |
|
Si2 .2476 0 0 .5 .36 |
|
O1 .1127 .2254 .003 .5 |
|
O2 .6818 .000 .9158 1.2 |
|
O3 .958 .327 .25 2.1 |
|
O4 .2295 .459 .864 1.6 |
|
O5 .4590 .918 .862 1.8 |
|
Wat1 1/3 2/3 .75 5.0 |
|
Wat2 .413 .826 .25 3.5 |
|
Wat3 .587 .174 .965 .5 3.0 |
|
Wat4 .218 .436 .159 3.6 |
|
Wat5 0 0 .643 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nickenichite |
|
Auernhammer M, Effenberger H, Hentschel G, Reinecke T, Tillmanns E |
| |
Mineralogy and Petrology 48 (1993) 153-166 |
|
Nickenichite, a new arsenate from the Eifel, Germany |
|
Locality: Nickenich, Nickenicher Sattel, Eifel, Germany |
|
_database_code_amcsd 0014632 |
|
11.882 12.760 6.647 90 112.81 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 .9922 .25 .76 2.34 .018 .034 .030 0 .001 0 |
|
Ca 0 .5 0 .41 2.77 .041 .010 .033 -.003 -.010 .001 |
|
Cu 0 .5026 .25 .39 1.33 .014 .005 .030 0 .007 0 |
|
MgMe1 0 .2616 .25 .89 1.74 .028 .016 .022 0 .009 0 |
|
FeMe1 0 .2616 .25 .11 1.74 .028 .016 .022 0 .009 0 |
|
MgMe2 .2143 .1558 .1244 .78 1.01 .0162 .0091 .0147 .0005 .0078 .0013 |
|
FeMe2 .2143 .1558 .1244 .22 1.01 .0162 .0091 .0147 .0005 .0078 .0013 |
|
As1 0 .71180 .25 .99 .0166 .0073 .0128 0 .0045 0 |
|
As2 .26733 .38706 .3757 1.00 .0164 .0081 .0139 -.0003 .0063 -.0003 |
|
O11 .8915 .6232 .2381 1.56 .019 .013 .027 -.005 .008 .003 |
|
O12 -.0386 .7840 .0200 1.21 .011 .024 .011 -.003 .004 .006 |
|
O21 .1169 .3933 .3150 1.28 .015 .012 .025 .000 .011 -.005 |
|
O22 .2838 .3141 .1785 1.05 .019 .010 .012 -.001 .007 -.004 |
|
O23 .3325 .5042 .3887 1.42 .018 .014 .022 -.004 .009 .000 |
|
O24 .3397 .3294 .6189 1.15 .020 .012 .011 .001 .005 .003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Orschallite |
|
Weidenthaler C, Tillmanns E, Hentschel G |
| |
Mineralogy and Petrology 48 (1993) 167-177 |
|
Orschallite, Ca3(SO3)2SO4*12H2O, a new |
|
calcium-sulfite-sulfate-hydrate mineral |
|
Locality: Hannebacher Ley, Hannebach, Eifel, Germany |
|
_database_code_amcsd 0014633 |
|
11.350 11.350 28.321 90 90 120 R-3c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .79664 0 .25 1.52 .0178 .0221 .0193 .0111 -.0003 -.0006 |
|
S1 0 0 .17258 1.48 .0202 .0202 .0157 .0101 0 0 |
|
S2 0 0 0 1.71 .0179 .0179 .0294 .0090 0 0 |
|
O1 .66707 .21142 .13729 1.87 .0277 .0190 .0274 .0139 -.0002 .0005 |
|
Wat2 .66070 .99654 .18561 3.40 .0418 .0278 .0546 .0109 -.0252 .0047 |
|
Wat3 .05881 .48933 .57787 2.90 .0302 .0402 .0406 .0181 -.0002 -.0007 |
|
O4 0 0 .54872 .5 2.11 .0269 .0269 .0264 .0135 0 0 |
|
O5 .08455 .13857 .02043 .5 2.53 .0255 .0209 .0404 .0044 -.0077 -.0057 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ternesite |
| |
Irran E, Tillmanns E, Hentschel G |
| |
Mineralogy and Petrology 60 (1997) 121-132 |
|
Ternesite, Ca5(SiO4)2SO4, a new mineral from the Ettringer Bellerberg/Eifel, Germany |
|
Locality: Ettringer Bellerberg volcano, Eifel, Germany |
|
_database_code_amcsd 0014638 |
|
6.863 15.387 10.181 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca1 .0502 .25 .1911 1.90 |
|
Ca2 .1423 -.0966 .1588 1.95 |
|
Ca3 .3622 .0861 .0657 1.85 |
|
Si .3457 .0747 .3659 1.68 |
|
S .0171 .25 .5885 2.17 |
|
O1 .233 .25 .6028 3.21 |
|
O2 -.043 .25 .4519 2.23 |
|
O3 -.062 .1717 .6504 3.19 |
|
O4 .3861 -.0095 .2699 1.93 |
|
O5 .1805 .0511 .4751 1.77 |
|
O6 .2883 .1542 .2678 1.92 |
|
O7 .5319 .1092 .4537 2.13 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Batiferrite |
|
Lengauer C L, Tillmanns E, Hentschel G |
| |
Mineralogy and Petrology 71 (2001) 1-19 |
|
Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral |
|
from the Quaternary volcanic rocks of the western Eifel area, Germany |
|
Note: z-coordinate of A-site altered because it was obviously a typo |
|
Locality: Quaternary volcanic rocks of the western Eifel area, Germany |
|
_database_code_amcsd 0014645 |
|
5.909 5.909 23.369 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BaA 1/3 2/3 .75 .84 .0093 .0099 .0099 .0083 .00495 0 0 |
|
NaA 1/3 2/3 .75 .06 .0093 .0099 .0099 .0083 .00495 0 0 |
|
KA 1/3 2/3 .75 .05 .0093 .0099 .0099 .0083 .00495 0 0 |
|
SrA 1/3 2/3 .75 .05 .0093 .0099 .0099 .0083 .00495 0 0 |
|
Fe1 0 0 0 .865 .0057 .0065 .0065 .004 .00285 0 0 |
|
Mg1 0 0 0 .135 .0057 .0065 .0065 .004 .00285 0 0 |
|
Fe2 0 0 .2597 .485 .009 .0044 .0044 .018 .00220 0 0 |
|
Mg2 0 0 .2597 .015 .009 .0044 .0044 .018 .00220 0 0 |
|
Fe3 1/3 2/3 .02618 .0062 .0061 .0061 .0064 .00305 0 0 |
|
Ti4 1/3 2/3 .18971 .558 .0062 .0063 .0063 .0059 .00315 0 0 |
|
Fe4 1/3 2/3 .18971 .37 .0062 .0063 .0063 .0059 .00315 0 0 |
|
Mg4 1/3 2/3 .18971 .07 .0062 .0063 .0063 .0059 .00315 0 0 |
|
Fe5 .1678 .3356 -.10726 .798 .0076 .0071 .0085 .0077 .00425 .0003 .0006 |
|
Ti5 .1678 .3356 -.10726 .202 .0076 .0071 .0085 .0077 .00425 .0003 .0006 |
|
O1 0 0 .1529 .013 .014 .014 .009 .00700 0 0 |
|
O2 1/3 2/3 -.0566 .011 .011 .011 .010 .00550 0 0 |
|
O3 .1836 .3672 .25 .014 .015 .020 .009 .01000 0 0 |
|
O4 .1532 .3064 .0530 .012 .013 .012 .010 .00600 .0005 .001 |
|
O5 .5003 .0006 .1509 .014 .014 .013 .015 .00650 .0005 .001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Arsentsumebite |
|
Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A |
| |
Mineralogy and Petrology 75 (2002) 79-88 |
|
The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) |
|
Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia |
|
_database_code_amcsd 0014646 |
|
7.804 5.890 8.964 90 112.29 90 P2_1/m |
|
atom x y z occ Biso |
|
Pb1 .7163 .25 .2412 3.4 |
|
Pb2 .2987 .25 .3869 2.8 |
|
Cu 0 0 0 1.50 |
|
As1 .5584 .25 -.1715 .63 1.0 |
|
S1 .5584 .25 -.1715 .37 1.0 |
|
As2 -.0449 .25 -.3502 .37 1.2 |
|
S2 -.0449 .25 -.3502 .63 1.2 |
|
OH1 .1707 .25 .0811 .9 |
|
O2 -.2413 .25 -.4682 2.9 |
|
O3 .0928 .25 .5563 4.8 |
|
O4 .4336 .25 .9346 3.8 |
|
O5 .7754 .25 -.0543 2.1 |
|
O6 -.0002 .0302 -.2410 2.6 |
|
O7 .5099 .0252 -.2875 2.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Friedrichbeckeite |
|
Lengauer C L, Hrauda N, Kolitsch U, Krickl R, Tillmanns E |
| |
Mineralogy and Petrology 96 (2009) 221-232 |
|
Friedrichbeckeite, K(_0.5Na0.5)2(Mg0.8Mn0.1Fe0.1)2(Be0.6Mg0.4)3[Si12O30], |
|
a new milarite-type mineral from the Bellerberg volcano, Eifel area, Germany |
|
Locality: Bellerberg volcano, Eifel area, Germany |
|
_database_code_amcsd 0014649 |
|
9.970 9.970 14.130 90 90 120 P6/mcc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KC 0 0 .25 .926 .0265 .0242 .0242 .0309 .0121 0 0 |
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NaB 1/3 2/3 .0204 .193 .030 .020 .020 .05 .010 0 0 |
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MgA 1/3 2/3 .25 .807 .0160 .0157 .0157 .0165 .00785 0 0 |
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MnA 1/3 2/3 .25 .193 .0160 .0157 .0157 .0165 .00785 0 0 |
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BeT2 .5 0 .25 .607 .0114 .0140 .0059 .0117 .00295 0 0 |
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MgT2 .5 0 .25 .393 .0114 .0140 .0059 .0117 .00295 0 0 |
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SiT1 .10056 .35367 .10910 .0123 .0115 .0119 .0132 .0057 -.0002 -.0021 |
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O1 .1190 .4085 0 .0294 .047 .024 .0124 .014 0 0 |
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O2 .2107 .2814 .1284 .0299 .0290 .0393 .0358 .0277 -.0006 -.0040 |
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O3 .1353 .4918 .1790 .0222 .0304 .0193 .0222 .0164 -.0106 -.0094 |
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Abswurmbachite |
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Reinecke T, Tillmanns E, Bernhardt H J |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 117-143 |
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Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite |
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group: natural occurrence, synthesis, and crystal structure |
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_database_code_amcsd 0014719 |
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9.406 9.406 18.546 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Mn1 0 .25 .125 .84 1.31 |
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Cu1 0 .25 .125 .16 1.31 |
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Mn2 0 0 0 .94 .51 |
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Cu2 0 0 0 .06 .51 |
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Mn3 .25 .21001 0 .92 .48 |
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Cu3 .25 .21001 0 .08 .48 |
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Mn4 .22789 .0221 .625 .94 .50 |
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Cu4 .22789 .0221 .625 .06 .50 |
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Si 0 .25 .375 .40 |
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O1 .1436 .8470 .9440 .92 |
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O2 .1481 .0665 .0566 .68 |
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O3 .0763 .1324 .9253 .68 |
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Rondorfite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
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Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
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K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
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Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014723 |
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15.0850 15.0850 15.0850 90 90 90 *Fd3 |
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.125 .125 .125 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM1 .5 .5 .5 .00710 .00710 .00710 .00710 .00106 .00106 .00106 |
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CaM2 .34060 .125 .125 .00865 .0089 .0089 .0089 0 0 -.00155 |
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MgT2 .125 .125 .125 .912 .0061 .0061 .0061 .0061 0 0 0 |
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FeT2 .125 .125 .125 .028 .0061 .0061 .0061 .0061 0 0 0 |
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AlT2 .125 .125 .125 .060 .0061 .0061 .0061 .0061 0 0 0 |
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SiT1 .25943 .25943 .25943 .00521 .00521 .00521 .00521 .00018 .00018 .00018 |
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O1 .19679 .19679 .19679 .0121 .0121 .0121 .0121 -.0031 -.0031 -.0031 |
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O2 .60157 .29601 .01994 .0088 .0065 .0095 .0105 -.0012 .0003 -.0015 |
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Cl 0 0 0 .929 .0118 .0118 .0118 .0118 0 0 0 |
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O3 0 0 0 .071 .0118 .0118 .0118 .0118 0 0 0 |
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Almarudite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
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Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
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K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
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Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014724 |
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9.997 9.997 14.090 90 90 120 P6/mcc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KA 0 0 .25 .928 .0251 .0243 .0243 .0268 .0122 0 0 |
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NaB 1/3 2/3 .025 .050 .009 .002 .002 .02 .001 0 0 |
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MnM 1/3 2/3 .25 .529 .0106 .0109 .0109 .0099 .0055 0 0 |
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FeM 1/3 2/3 .25 .310 .0106 .0109 .0109 .0099 .0055 0 0 |
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MgM 1/3 2/3 .25 .161 .0106 .0109 .0109 .0099 .0055 0 0 |
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BeT2 .5 0 .25 .738 .0114 .0130 .0104 .0099 .0065 0 0 |
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AlT2 .5 0 .25 .262 .0114 .0130 .0104 .0099 .0065 0 0 |
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SiT1 .09503 .35169 .10857 .0085 .0090 .0104 .0066 .00521 -.00035 -.00154 |
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O1 .1130 .4089 0 .0221 .0373 .0206 .0074 .0138 0 0 |
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O2 .2077 .2827 .12747 .0241 .0273 .0373 .0216 .0265 -.0036 -.0064 |
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O3 .12912 .48752 .18076 .0150 .0236 .0156 .0105 .0132 -.0028 -.0040 |
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Wadalite |
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Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
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Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
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K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
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Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
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Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
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Eastern Eifel volcanic area, Eifel, Germany |
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_database_code_amcsd 0014725 |
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12.0343 12.0343 12.0343 90 90 90 I-43d |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM .10461 0 .25 .00965 .00924 .00832 .01138 0 0 .00175 |
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SiT2 .23312 .23312 .23312 .485 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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AlT2 .23312 .23312 .23312 .331 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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FeT2 .23312 .23312 .23312 .165 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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TiT2 .23312 .23312 .23312 .019 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
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AlT1 .375 0 .25 .788 .0074 .0057 .00820 .00820 0 0 0 |
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SiT1 .375 0 .25 .050 .0074 .0057 .00820 .00820 0 0 0 |
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FeT1 .375 0 .25 .049 .0074 .0057 .00820 .00820 0 0 0 |
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MgT1 .375 0 .25 .113 .0074 .0057 .00820 .00820 0 0 0 |
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O1 .06319 .06319 .06319 .0142 .0142 .0142 .0142 .0033 .0033 .0033 |
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O2 .03132 .05061 .64877 .0130 .0130 .0108 .0152 .0011 -.0020 .0015 |
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Cl1 .875 0 .25 .949 .0206 .0085 .0267 .0267 0 0 0 |
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Dreyerite |
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Dreyer G, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1981 (1981) 151-154 |
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Dreyerite: ein naturliches, tetragonales wismutvanadat von Hirschhorn/Pfalz |
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Locality: Hirschhorn, Pfalz, Germany |
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_database_code_amcsd 0014769 |
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7.303 7.303 6.584 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z Biso |
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Bi 0 .75 .125 1.3 |
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V 0 .25 .375 .4 |
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O 0 .072 .208 1.0 |
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|
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Willhendersonite |
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Tillmanns E, Fischer R X, Baur W H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 547-558 |
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Chabazite-type framework in the new zeolite willhendersonite, KCaAl3Si3O12*5H2O |
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_database_code_amcsd 0014793 |
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9.206 9.216 9.500 92.34 92.70 90.12 P-1 |
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atom x y z occ Biso |
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KX5A .4770 .871 .4683 .5 10.3 |
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KX5C .1162 .5121 .5392 .5 7.2 |
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CaX1 .2006 .2013 .2042 .84 |
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AlT1 .6565 .9071 .1492 .52 |
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SiT2 .3122 .8948 .1067 .53 |
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AlT3 .0902 .8477 .3425 .51 |
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SiT4 .1086 .3444 .8549 .50 |
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AlT5 .8890 .3128 .0910 .54 |
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SiT6 .8505 .1034 .3399 .49 |
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O1A .7466 .2439 .9846 .9 |
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OlB .6936 .0554 .2681 .8 |
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O1C .9739 .3151 .7392 .8 |
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O2A .1532 .5129 .8495 .9 |
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O2B .4749 .8624 .1662 .9 |
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O2C .8276 .1874 .4908 .7 |
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O3A .2503 .2518 .8179 .9 |
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O3B .9360 .2087 .2381 .7 |
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O3C .7877 .0636 .7599 .9 |
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O4A .0575 .3043 .0106 .9 |
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O4B .3053 .0441 .0213 .9 |
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O4C .0577 .0406 .6363 .8 |
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WatX2A .531 .250 .569 .5 4.9 |
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WatX2C .742 .472 .427 .5 4.9 |
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WatX5B .5073 .5473 .1451 5.2 |
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WatX6A .7759 .7913 .5410 2.5 |
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WatX6B .5393 .7482 .7601 2.8 |
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WatX6C .2259 .4609 .2608 2.6 |
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Batisite |
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Schmahl W W, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 107-118 |
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Isomorphic substitutions, straight Si-O-Si geometry, and disorder of tetrahedral |
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tilting in batisite, (Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)Si4O14 |
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Locality: tertiary nephelinite-leucite volcanic rocks, Westeifel, W. Germany |
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_database_code_amcsd 0014812 |
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10.499 13.913 8.087 90 90 90 Imcm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .25 .24510 0 .63 .72 .00170 .00096 .00259 0 0 0 |
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K1 .25 .24510 0 .37 .72 .00170 .00096 .00259 0 0 0 |
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K2 .25 .6837 .5 .70 1.78 .00244 .00405 .00438 0 0 0 |
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Na2 .25 .6837 .5 .30 1.78 .00244 .00405 .00438 0 0 0 |
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Na 0 0 0 2.38 .00835 .00411 .00107 .000423 0 0 |
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Ti4+ .25 .471 .2384 .72 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Nb3+ .25 .471 .2384 .06 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Fe2+ .25 .471 .2384 .16 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Zr4+ .25 .471 .2384 .06 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Si .52520 .35528 .1966 .71 .00147 .00100 .00271 -.00004 -.00007 -.00009 |
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O1 .6172 .0670 .2214 1.11 .00199 .00135 .00542 .00031 .00025 -.00046 |
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O2 .3794 .1356 .2459 1.35 .00150 .00128 .00922 -.00011 -.00060 .00028 |
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O3 .5802 .25 .25 .25 .00203 .00089 .02282 0 0 .00089 |
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O4 .5326 .3569 0 .41 .00770 .01101 .00157 -.00314 0 0 |
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O5 .75 .9580 0 .11 .00344 .00118 .00302 0 0 0 |
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O6 .75 .9718 .5 .17 .00251 .00225 .00872 0 0 0 |
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Gugiaite |
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Yang Z, Fleck M, Pertlik F, Tillmanns E, Tao K |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 186-192 |
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The crystal structure of natural gugiaite, Ca2BeSi2O7 |
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Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China |
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Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths |
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_database_code_amcsd 0014911 |
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7.4330 7.4330 4.9970 90 90 90 P-42_1m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .16376 .66376 -.48894 .0177 .0186 .0186 .0161 -.0039 -.0007 -.0007 |
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Be 0 0 0 .0038 .0047 .0047 .0020 0 0 0 |
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Si .35325 .85325 -.0396 .0138 .0134 .0134 .0145 -.0004 -.0003 -.0003 |
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O1 .5 0 .8359 .0172 .0172 .0172 .0170 -.0018 0 0 |
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O2 .3594 .8594 .2786 .0162 .0164 .0164 .0158 -.0006 -.0001 -.0001 |
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O3 .3332 .4144 .1816 .0174 .0135 .0222 .0164 -.0026 -.0004 .0026 |
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Bismutocolumbite |
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Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, |
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Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 |
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Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their |
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structural relation to the other ABO4 minerals with |
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stibiotantalite (SbTaO4) structure |
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Locality: Malkhan field, Central Transbaikalia, Russia |
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_database_code_amcsd 0014918 |
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5.668 11.725 4.971 90 90 90 Pnna |
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atom x y z occ Uiso |
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Bi .25 .5 .7803 .0184 |
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Nb .3488 .25 .25 .79 .0080 |
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Ta .3488 .25 .25 .21 .0080 |
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O1 .1392 .3051 .5046 .0131 |
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O2 .4143 .0979 .4124 .0092 |
|
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Stibiocolumbite |
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Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F, |
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Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159 |
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Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their |
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structural relation to the other ABO4 minerals with |
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stibiotantalite (SbTaO4) structure |
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Locality: Mesa Grande, California, USA |
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_database_code_amcsd 0014919 |
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5.557 4.932 11.808 90 90 90 Pna2_1 |
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atom x y z occ Uiso |
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Sb .52369 .04914 .24729 .0093 |
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Nb .88867 -.00667 -.00157 .33 .0048 |
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Ta .88867 -.00667 -.00157 .67 .0048 |
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O1 .3462 .3313 .1576 .0084 |
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O2 .8242 .8352 .8477 .0081 |
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O3 .0845 .7119 .0563 .0106 |
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O4 .1290 .2270 -.0483 .0117 |
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Bearthite |
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Chopin C, Brunet F, Gebert W, Medenbach O, Tillmanns E |
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Schweizerische Mineralogische und Petrographische Mitteilungen 73 (1993) 1-9 |
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Bearthite, Ca2Al[PO4]2(OH), a new mineral from high-pressure terranes of the |
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western Alps |
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Locality: Dora Maira massif, western Alps, Italy |
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_database_code_amcsd 0015407 |
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7.231 5.734 8.263 90 112.57 90 P2_1/m |
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atom x y z Uiso |
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Cal .2293 .75 .2539 .019 |
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Ca2 .8280 .75 .4175 .016 |
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Al .5 .5 0 .016 |
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P1 .9373 .25 .1730 .015 |
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P2 .5249 .25 .3391 .016 |
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O1 .5251 .5277 .7808 .019 |
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O2 .7452 .25 .4519 .024 |
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O3 .4003 .25 .4495 .024 |
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O4 .9929 .0314 .2894 .019 |
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O5 .0284 .25 .0356 .023 |
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O6 .7001 .25 .0642 .017 |
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OH .3269 .25 .9138 .017 |
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Arsenbrackebuschite |
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Hofmeister W, Tillmanns E |
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Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 153-163 |
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Strukturelle untersuchungen an arsenbrackebuschit |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0015672 |
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7.763 6.046 9.022 90 112.5 90 P2_1/m |
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atom x y z occ |
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Pb1 .2739 .75 .7356 |
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Pb2 .6960 .75 .6023 |
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Fe3+ 0 0 0 .65 |
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Zn2+ 0 0 0 .35 |
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As1 .4357 .75 .1736 |
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As2 .0322 .75 .3367 |
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O1 .996 .983 .225 |
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O2 .262 .75 .471 |
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O3 .898 .75 .444 |
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O4 .492 .977 .291 |
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O5 .541 .75 .041 |
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O6 .199 .75 .062 |
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OH7 .821 .75 .916 .65 |
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Wat7 .821 .75 .916 .35 |
|
|
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Brenkite |
|
Leufer U, Tillmanns E |
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Tschermaks Mineralogische und Petrographische Mitteilungen 27 (1980) 261-266 |
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Die kristallstruktur von brenkit, Ca2F2CO3 |
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_database_code_amcsd 0015679 |
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7.650 7.550 6.548 90 90 90 Pbcn |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .32447 .16198 .46489 .002948 .002324 .004956 -.000043 -.000200 -.000051 |
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C 0 .0283 .25 .003887 .002807 .003907 .000000 -.000449 .000000 |
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O1 0 .2002 .25 .008373 .002500 .007580 .000000 .002845 .000000 |
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O2 .3675 .4451 .3205 .004229 .004298 .010729 .000693 .003294 .002073 |
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F .3798 .1205 .1010 .003717 .004956 .006122 -.000303 -.000399 -.001011 |
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Shakhovite |
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Tillmanns E, Krupp R, Abraham K |
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Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 227-235 |
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New data on the mercury antimony mineral shakhovite: Chemical composition, |
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unit cell and crystal structure |
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Locality: Moschellandsberg, Palatinate, Germany |
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_database_code_amcsd 0015689 |
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4.871 15.098 5.433 90 98.86 90 Im |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Hg1 0 .11845 0 .01824 .00084 .00893 .00110 .00164 .00009 |
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Hg2 .3607 .78042 .5170 .01802 .00087 .01362 .00106 .00164 -.00018 |
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Sb .4169 0 .4882 .00280 .00069 .00373 0 .00029 0 |
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O1 .722 .5 .636 .01187 .00011 .00694 0 .00096 0 |
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O2 .680 .5954 .090 .00755 .00076 .00867 .00137 .00096 .00061 |
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OH3 .153 .5959 .887 .00755 .00142 .00780 -.00068 .00290 .00092 |
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OH4 .153 .5 .333 .00431 .00153 .00433 0 .00000 0 |
|
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Cancrisilite |
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
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Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# u1631 |
|
Locality: Lovozero |
|
_database_code_amcsd 0018867 |
|
12.584 12.584 5.101 90 90 120 P6_3mc |
|
atom x y z occ Uiso |
|
Si .079337 .412136 .75 .62 .00796 |
|
Al .079337 .412136 .75 .38 .00796 |
|
O1 .20219 -.20219 .66167 .01749 |
|
O2 .44218 -.44218 .72436 .02156 |
|
O3 .03638 .35694 .05218 .01725 |
|
Na1 1/3 2/3 .6341 .822 .0348 |
|
Wat 1/3 2/3 .140 .22 .059 |
|
Wat' .3811 .6905 .1913 .26 .0577 |
|
Na2' .12384 -.12384 .3022 .49 .0248 |
|
Na2 .1219 -.1219 .263 .47 .0259 |
|
C1 0 0 .6524 .278 .0253 |
|
OC1 .05911 .1182 .6524 .278 .0335 |
|
C2 0 0 .9146 .274 .0248 |
|
OC2 .05926 .1185 .9146 .274 .0311 |
|
C3 0 0 .7820 .152 .0128 |
|
OC3 .0594 .1189 .7820 .152 .0162 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# Kovd15/1 |
|
Locality: Kovdor |
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_database_code_amcsd 0018868 |
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12.683 12.683 5.190 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .33005 .41291 .75 .00910 |
|
Al2 .07606 .41389 .75067 .89 .00924 |
|
Si2 .07606 .41389 .75067 .11 .00924 |
|
O1 .20288 .40452 .6721 .0187 |
|
O2 .11904 .56549 .7268 .0238 |
|
O3 .02646 .35346 .0548 .0194 |
|
O4 .32153 .36118 .0386 .0191 |
|
Na .6667 .3333 .1270 .0346 |
|
Wat .6980 .3874 .6897 .333 .0582 |
|
NaA .13129 .26535 .2863 .81 .0522 |
|
KA .13129 .26535 .2863 .05 .0522 |
|
C1 0 0 .679 .171 .039 |
|
OC1 .0540 .1141 .679 .171 .055 |
|
C2 0 0 .889 .169 .038 |
|
OC2 .0344 .1142 .889 .169 .080 |
|
C3 0 0 .516 .097 .024 |
|
OC3 .1005 .0051 .516 .097 .034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# Kovd5 |
|
Locality: Kovdor |
|
_database_code_amcsd 0018869 |
|
12.606 12.606 5.118 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .328797 .411271 .75 .00758 |
|
Al2 .07557 .412385 .75065 .89 .00764 |
|
Si2 .07557 .412385 .75065 .11 .00764 |
|
O1 .20304 .40468 .65957 .01530 |
|
O2 .11582 .56377 .72443 .01919 |
|
O3 .03076 .35266 .06175 .01552 |
|
O4 .31616 .36021 .04513 .01569 |
|
Na .6667 .3333 .1315 .0299 |
|
Wat .6873 .3015 .6848 .333 .0562 |
|
NaA' .1249 .2525 .2972 .62 .0254 |
|
CaA' .1249 .2525 .2972 .02 .0254 |
|
NaA .1194 .2418 .2627 .35 .0279 |
|
CaA .1194 .2418 .2627 .01 .0279 |
|
C1 0 0 .644 .32 .036 |
|
OC1 .0575 .1180 .644 .32 .043 |
|
C2 0 0 .9054 .252 .0223 |
|
OC2 .0576 .1179 .9054 .252 .0317 |
|
C4 0 0 .758 .15 .010 |
|
OC4 .0570 .1171 .758 .15 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# kir2343 |
|
Locality: Khibiny |
|
_database_code_amcsd 0018870 |
|
12.607 12.607 5.111 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .328823 .411280 .75 .00725 |
|
Al2 .07563 .41234 .75076 .90 .00719 |
|
Si2 .07563 .41234 .75076 .10 .00719 |
|
O1 .20311 .40467 .65898 .01472 |
|
O2 .11579 .56374 .7243 .01825 |
|
O3 .03099 .35279 .06220 .01511 |
|
O4 .31617 .36021 .04601 .01547 |
|
Na 2/3 1/3 .1308 .0299 |
|
Wat .6143 .3129 .6849 .333 .0570 |
|
NaA' .1236 .2504 .2992 .57 .0230 |
|
CaA' .1236 .2504 .2992 .05 .0230 |
|
NaA .1195 .2410 .2677 .34 .0259 |
|
CaA .1195 .2410 .2677 .02 .0259 |
|
C1 .0 .0 .6399 .289 .0215 |
|
OC1 .0579 .1182 .6399 .289 .0233 |
|
C2 .0 .0 .9089 .251 .0146 |
|
OC2 .0580 .1178 .9089 .251 .0225 |
|
C4 .0 .0 .7583 .196 .0111 |
|
OC4 .0580 .1188 .7583 .196 .0175 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# tz3/1 |
|
Locality: Tamazeght |
|
_database_code_amcsd 0018871 |
|
12.625 12.625 5.122 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32817 .41076 .75 .0099 |
|
Al2 .07537 .41230 .7511 .94 .0088 |
|
Si2 .07537 .41230 .7511 .06 .0088 |
|
O1 .2028 .4037 .6579 .0156 |
|
O2 .1132 .5635 .7283 .0221 |
|
O3 .0299 .3502 .0618 .0177 |
|
O4 .3141 .3564 .0443 .0177 |
|
Na 2/3 1/3 .1353 .845 .0370 |
|
Wat .695 .3756 .684 .333 .061 |
|
NaA .1230 .24943 .2944 .77 .0269 |
|
CaA .1230 .24943 .2944 .20 .0269 |
|
C1 0 0 .669 .402 .040 |
|
OC1 .0559 .1178 .669 .402 .046 |
|
C2 0 0 .899 .365 .059 |
|
OC2 .059 .1194 .899 .365 .056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# tz5/1 |
|
Locality: Tamazeght |
|
_database_code_amcsd 0018872 |
|
12.618 12.618 5.144 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32849 .41087 .75 .00881 |
|
Al2 .07534 .41255 .7509 .92 .00886 |
|
Si2 .07534 .41255 .7509 .08 .00886 |
|
O1 .20368 .40528 .6629 .0159 |
|
O2 .11412 .56335 .7283 .0214 |
|
O3 .02878 .3506 .0582 .0171 |
|
O4 .31591 .3576 .0422 .0178 |
|
Na .6667 .3333 .1311 .0422 |
|
Wat .697 .378 .6905 .333 .073 |
|
NaA .12555 .25371 .2955 .77 .0295 |
|
CaA .12555 .25371 .2955 .15 .0295 |
|
C1 0 0 .644 .289 .019 |
|
OC1 .0575 .1178 .644 .289 .024 |
|
C2 0 0 .936 .272 .029 |
|
OC2 .0522 .1168 .936 .272 .067 |
|
C4 0 0 .762 .160 .016 |
|
OC4 .0589 .1170 .762 .160 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# 11/1 |
|
Locality: Khibiny |
|
_database_code_amcsd 0018873 |
|
12.618 12.618 5.116 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32841 .41111 .75 .00699 |
|
Al2 .07525 .41236 .75094 .93 .00723 |
|
Si2 .07525 .41236 .75094 .07 .00723 |
|
O1 .20317 .40479 .65897 .01388 |
|
O2 .11541 .56393 .7249 .01830 |
|
O3 .03040 .35195 .06234 .01469 |
|
O4 .31531 .35986 .04496 .01472 |
|
Na 2/3 1/3 .1323 .0288 |
|
Wat .6157 .3146 .6852 .333 .0534 |
|
NaA' .1248 .2525 .2996 .55 .0209 |
|
CaA' .1248 .2525 .2996 .05 .0209 |
|
NaA .1190 .2411 .276 .35 .0263 |
|
CaA .1190 .2411 .276 .04 .0263 |
|
C1 0 0 .660 .225 .0177 |
|
OC1 .0577 .1187 .660 .225 .0163 |
|
C2 0 0 .9029 .247 .0198 |
|
OC2 .0577 .1185 .9029 .247 .0262 |
|
C3 0 0 .581 .092 .007 |
|
OC3 .0566 .1145 .581 .092 .016 |
|
C4 0 0 .7581 .172 .0108 |
|
OC4 .0567 .1186 .7581 .172 .0176 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# mmf28962 |
|
Locality: Ilmeny Mountains, southern Urals, Russia |
|
_database_code_amcsd 0018874 |
|
12.617 12.617 5.129 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32795 .41047 .75 .00926 |
|
Al2 .07506 .41250 .75085 .97 .00954 |
|
Si2 .07506 .41250 .75085 .03 .00954 |
|
O1 .20308 .40495 .6581 .0166 |
|
O2 .11353 .56358 .7273 .0211 |
|
O3 .02942 .34970 .0598 .0174 |
|
O4 .31396 .35719 .0433 .0168 |
|
Na 2/3 1/3 .124 .705 .0343 |
|
Na' 2/3 1/3 .187 .18 .026 |
|
Wat .6849 .3068 .6857 .333 .066 |
|
NaA .12273 .24770 .2913 .64 .0253 |
|
CaA .12273 .24770 .2913 .16 .0253 |
|
NaA' .1320 .2699 .2998 .15 .038 |
|
CaA' .1320 .2699 .2998 .04 .038 |
|
C1 0 0 .715 .211 .021 |
|
OC1 .0575 .1202 .715 .211 .022 |
|
C2 0 0 .944 .185 .011 |
|
OC2 .0575 .1165 .944 .185 .026 |
|
C3 0 0 .626 .225 .024 |
|
OC3 .0572 .1172 .626 .225 .024 |
|
C4 0 0 .844 .150 .006 |
|
OC4 .0587 .1192 .844 .150 .025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# mmf62633/2 |
|
Locality: Dakhuunur |
|
_database_code_amcsd 0018875 |
|
12.613 12.613 5.124 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32770 .41029 .75 .00911 |
|
Al2 .07504 .41252 .7511 .97 .00991 |
|
Si2 .07504 .41252 .7511 .03 .00991 |
|
O1 .20285 .40426 .6582 .0156 |
|
O2 .1127 .56339 .7281 .0204 |
|
O3 .02932 .3487 .0608 .0162 |
|
O4 .31292 .3565 .0430 .0161 |
|
Na 2/3 1/3 .1380 .815 .0382 |
|
Wat .691 .3741 .679 .333 .061 |
|
NaA .12252 .24759 .2959 .64 .0222 |
|
CaA .12252 .24759 .2959 .25 .0222 |
|
NaA' .1424 .2866 .288 .06 .0222 |
|
CaA' .1424 .2866 .288 .02 .0222 |
|
C1 0 0 .6751 .432 .044 |
|
OC1 .0578 .1186 .6751 .432 .046 |
|
C2 0 0 .912 .373 .038 |
|
OC2 .0590 .1185 .912 .373 .044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# ggm44331 |
|
Locality: Vishnevye Mountains |
|
_database_code_amcsd 0018876 |
|
12.627 12.627 5.136 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32815 .41088 .75 .01027 |
|
Al2 .07515 .41252 .7510 .94 .01077 |
|
Si2 .07515 .41252 .7510 .06 .01077 |
|
O1 .20301 .40490 .6605 .0172 |
|
O2 .11441 .56360 .7266 .0219 |
|
O3 .02867 .34943 .0600 .0168 |
|
O4 .31430 .35775 .0427 .0177 |
|
Na 2/3 1/3 .1345 .0374 |
|
Wat .686 .303 .6892 .333 .064 |
|
NaA .1223 .2452 .2867 .44 .0241 |
|
CaA .1223 .2452 .2867 .10 .0241 |
|
NaA' .1269 .2601 .301 .39 .040 |
|
CaA' .1269 .2601 .301 .07 .040 |
|
C1 0 0 .692 .19 .016 |
|
OC1 .0574 .1194 .692 .19 .010 |
|
C2 0 0 .935 .216 .012 |
|
OC2 .0603 .1155 .935 .216 .034 |
|
C3 0 0 .611 .21 .023 |
|
OC3 .0541 .1138 .611 .21 .034 |
|
C4 0 0 .810 .234 .018 |
|
OC4 .060 .123 .810 .234 .071 |
|
|
| 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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