|
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: 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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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 |
|
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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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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View JMOL 3-D Structure
|
| |
|
Poitevinite |
|
Giester G, Lengauer C L, Redhammer G J |
 |
The Canadian Mineralogist 32 (1994) 873-884 |
|
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the |
|
nature of poitevinite, (Cu,Fe)SO4.H2O |
|
Sample: Fe-100 |
|
_database_code_amcsd 0005412 |
|
5.177 5.176 7.608 107.57 107.57 93.65 P-1 |
|
atom x y z Biso |
|
FeM1 0 0 0 .9 |
|
FeM2 .5 .5 .5 .9 |
|
S .596 .899 .248 .8 |
|
O1 .724 .815 .097 1.9 |
|
O2 .291 .827 .154 1.1 |
|
O3 .668 .204 .345 2.0 |
|
O4 .689 .765 .394 1.4 |
|
Wat .103 .392 .255 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Poitevinite |
|
Giester G, Lengauer C L, Redhammer G J |
|
The Canadian Mineralogist 32 (1994) 873-884 |
|
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the |
|
nature of poitevinite, (Cu,Fe)SO4.H2O |
|
Sample: Cu-48,Fe-52 |
|
_database_code_amcsd 0005413 |
|
5.120 5.160 7.535 107.06 107.40 92.73 P-1 |
|
atom x y z occ Biso |
|
CuM1 0 0 0 .48 1.1 |
|
FeM1 0 0 0 .52 1.1 |
|
CuM2 .5 .5 .5 .48 1.1 |
|
FeM2 .5 .5 .5 .52 1.1 |
|
S .593 .918 .248 .7 |
|
O1 .727 .830 .098 1.1 |
|
O2 .287 .828 .154 1.3 |
|
O3 .644 .222 .331 .9 |
|
O4 .694 .797 .404 1.6 |
|
Wat .114 .407 .265 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Poitevinite |
|
Giester G, Lengauer C L, Redhammer G J |
|
The Canadian Mineralogist 32 (1994) 873-884 |
|
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the |
|
nature of poitevinite, (Cu,Fe)SO4.H2O |
|
Sample: Cu-100 |
|
_database_code_amcsd 0005414 |
|
5.034 5.167 7.573 108.64 108.41 90.88 P-1 |
|
atom x y z Biso |
|
CuM1 0 0 0 .7 |
|
CuM2 .5 .5 .5 .7 |
|
S .608 .925 .243 .4 |
|
O1 .752 .829 .095 1.3 |
|
O2 .301 .836 .142 1.9 |
|
O3 .663 .232 .322 1.5 |
|
O4 .707 .808 .399 1.1 |
|
Wat .125 .430 .284 1.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Erythrite |
|
Wildner M, Giester G, Lengauer C L, McCammon C A |
| |
European Journal of Mineralogy 8 (1996) 187-192 |
|
Structure and crystal chemistry of vivianite-type compounds: Crystal |
|
structures of erythrite and annabergite with a Mossbauer study of erythrite |
|
_database_code_amcsd 0006617 |
|
10.251 13.447 4.764 90 104.98 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CoMe1 0 0 0 .0112 .0170 .0080 0 -.0005 0 |
|
CoMe2 0 .38512 0 .505 .0136 .0156 .0099 0 .0010 0 |
|
FeMe2 0 .38512 0 .37 .0136 .0156 .0099 0 .0010 0 |
|
NiMe2 0 .38512 0 .125 .0136 .0156 .0099 0 .0010 0 |
|
As .31621 0 .37235 .0100 .0146 .0071 0 -.0002 0 |
|
O1 .1493 0 .3748 .0097 .0227 .0094 0 .0005 0 |
|
O2 .4057 0 .7226 .0166 .0176 .0058 0 -.0025 0 |
|
O3 .3433 .1067 .2087 .0157 .0151 .0140 -.0005 .0035 .0027 |
|
OW1 .0978 .1137 .8067 .0156 .0227 .0139 -.0019 .0010 -.0011 |
|
OW2 .3995 .2273 .7133 .0279 .0221 .0169 .0021 .0037 .0020 |
|
H11 .119 .091 .657 .0156 |
|
H12 .163 .127 .902 .0306 |
|
H21 .368 .208 .536 .0464 |
|
H22 .448 .282 .714 .0416 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annabergite |
|
Wildner M, Giester G, Lengauer C L, McCammon C A |
| |
European Journal of Mineralogy 8 (1996) 187-192 |
|
Structure and crystal chemistry of vivianite-type compounds: Crystal |
|
structures of erythrite and annabergite with a Mossbauer study of erythrite |
|
_database_code_amcsd 0006618 |
|
10.179 13.309 4.725 90 105.00 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NiMe1 0 0 0 .99 .0112 .0170 .0080 0 -.0005 0 |
|
MgMe1 0 0 0 .01 .0112 .0170 .0080 0 -.0005 0 |
|
NiMe2 0 .38583 0 .825 .0128 .0124 .0114 0 .0031 0 |
|
MgMe2 0 .38583 0 .175 .0128 .0124 .0114 0 .0031 0 |
|
As .31620 0 .37558 .0102 .0122 .0095 0 .0023 0 |
|
O1 .1491 0 .3807 .0102 .0122 .0095 0 .0023 0 |
|
O2 .4072 0 .7287 .0155 .0145 .0102 0 -.0003 0 |
|
O3 .3429 .1076 .2104 .0153 .0135 .0147 .0015 .0052 -.0002 |
|
OW1 .0961 .1135 .8126 .0155 .0196 .0153 -.0002 .0039 -.0007 |
|
OW2 .4001 .2253 .7183 .0245 .0180 .0173 .0018 .0048 .0024 |
|
H11 .118 .085 .674 .0229 |
|
H12 .164 .128 .924 .0414 |
|
H21 .372 .205 .545 .0466 |
|
H22 .446 .275 .711 .0457 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Allanpringite |
| |
Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E |
| |
European Journal of Mineralogy 18 (2006) 793-801 |
|
Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, |
|
and its close relation to wavellite |
|
Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany |
|
_database_code_amcsd 0007186 |
|
9.777 7.358 17.830 90 92.19 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .27493 .6185 .24870 .92 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
|
Al1 .27493 .6185 .24870 .08 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
|
Fe2 .74539 .6422 .48712 .91 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
|
Al2 .74539 .6422 .48712 .09 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
|
Fe3 .75612 .1425 .48182 .92 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
|
Al3 .75612 .1425 .48182 .08 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
|
P1 .4372 .6104 .41119 .0177 .0173 .0138 .0220 .0003 .0001 -.0006 |
|
P2 .0548 .0969 .40389 .0186 .0198 .0127 .0232 .0014 .0012 .0026 |
|
O1 .5892 .5640 .4167 .0214 |
|
O2 .3540 .4376 .4233 .0175 |
|
O3 .4036 .7604 .4680 .0235 |
|
O4 .4020 .6856 .3314 .028 |
|
O5 .0958 .2626 .4496 .0232 |
|
O6 .0789 .1253 .3213 .035 |
|
O7 .1326 -.0757 .4270 .0195 |
|
O8 .9017 .0651 .4120 .0187 |
|
OH9 .2100 .8627 .2254 .030 |
|
Wat10 .1230 .5470 .1677 .036 |
|
Wat11 .1124 .6196 .3313 .046 |
|
OH12 .8304 .3953 .4809 .0221 |
|
OH13 .6734 .8950 .4823 .0257 |
|
Wat14 .8481 .7077 .3886 .0260 |
|
Wat15 .6400 .2078 .3796 .028 |
|
Wat16a .811 .238 .2513 .5 .050 |
|
Wat16b .775 .114 .2496 .5 .059 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Florkeite |
|
Lengauer C L, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 901-913 |
|
Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite |
|
from the Bellerberg, East Eifel volcanic are, Germany |
|
Locality: Bellerberg, East Eifel volcanic are, Germany |
|
_database_code_amcsd 0007333 |
|
19.965 14.274 8.704 88.37 125.08 89.57 P-1 |
|
atom x y z occ Uiso |
|
K1 .42233 .25788 .1458 .0364 |
|
K2 .93846 .25093 .2404 .0391 |
|
K3 .58471 .74160 .3841 .929 .0401 |
|
Ca1 .79023 .34993 .45758 .01545 |
|
Ca2 .80461 .87723 .44598 .01831 |
|
Na1 .29777 .86755 .4346 .0286 |
|
AlT11a1 .02844 .49169 .28751 .0080 |
|
AlT11a2 .52883 .49306 .28907 .0098 |
|
AlT11b1 .87079 .02570 .26861 .0075 |
|
AlT11b2 .37495 .03013 .27589 .0087 |
|
SiT12a1 .37201 .46214 .29001 .0093 |
|
SiT12a2 .87106 .46418 .28681 .0087 |
|
SiT12b1 .53421 .00003 .28286 .0107 |
|
SiT12b2 .03764 -.00150 .29276 .0077 |
|
SiT21a1 .43055 .64274 .93572 .0099 |
|
SiT21a2 .92821 .64052 .92854 .0087 |
|
SiT21b1 .79195 .85668 .01889 .0078 |
|
SiT21b2 .29368 .85804 .03109 .0084 |
|
AlT22a1 .29112 .64051 .99642 .0089 |
|
AlT22a2 .78790 .63934 .98581 .0090 |
|
AlT22b1 .93495 .86340 .95613 .0080 |
|
AlT22b2 .43047 .86598 .94411 .0090 |
|
O11a1 .32887 .5601 .1795 .0191 |
|
O11a2 .82589 .5612 .1755 .0182 |
|
O11b1 .51464 .9138 .1437 .0150 |
|
O11b2 .01834 .9097 .1620 .0138 |
|
O12a1 -.00618 .5851 .1255 .0178 |
|
O12a2 .49271 .5879 .1336 .0219 |
|
O12b1 .82500 .9166 .2062 .0141 |
|
O12b2 .33359 .9193 .2178 .0148 |
|
O21a1 .31560 .3733 .1849 .0151 |
|
O21a2 .81019 .3759 .1938 .0121 |
|
O21b1 .58569 .0802 .2576 .0149 |
|
O21b2 .07803 .0826 .2434 .0123 |
|
O22a1 .07289 .4007 .2443 .0174 |
|
O22a2 .56709 .4014 .2306 .0181 |
|
O22b1 .80339 .1142 .1153 .0146 |
|
O22b2 .30379 .1181 .1362 .0186 |
|
O31a .54043 .2499 .0415 .0180 |
|
O31b .04227 .2528 .0452 .0181 |
|
O32a .19655 .2519 .9143 .0157 |
|
O32b .69751 .2513 .9050 .0146 |
|
O41a .45767 .4419 .3144 .0179 |
|
O41b .95249 .4418 .2966 .0159 |
|
O42a .95757 .0391 .2729 .0143 |
|
O42b .45140 .0468 .2427 .0189 |
|
O51a .33584 .6396 .8706 .0161 |
|
O51b .83552 .6349 .8697 .0186 |
|
O52a .84355 .8837 .9338 .0162 |
|
O52b .33933 .8775 .9277 .0154 |
|
O61a .38921 .4655 .4974 .0146 |
|
O61b .89235 .4634 .4981 .0126 |
|
O62a .40581 .0463 .5041 .0178 |
|
O62b .88963 .0335 .4905 .0130 |
|
Wat1 .8871 .7439 .4771 .0297 |
|
Wat2 .0646 .7391 .4181 .0408 |
|
Wat3A .1543 .8573 .1475 .0344 |
|
Wat3B .6626 .8808 .1736 .0274 |
|
Wat3C .1391 .6690 .2085 .0478 |
|
Wat3D .6850 .6313 .2069 .093 |
|
Wat4A .2503 .2550 .4746 .0389 |
|
Wat4B .7734 .1803 .4227 .0218 |
|
Wat5A .2488 .5004 .4791 .0337 |
|
Wat5B .2520 .0352 .4237 .0260 |
|
Wat6 .5291 .2673 .5426 .0582 |
|
Wat7 .3105 .6972 .4630 .0265 |
|
|
| 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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Download diffraction data (View Text File)
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 |
|
|
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|
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Nesquehonite |
|
Giester G, Lengauer C L, Rieck B |
| |
Mineralogy and Petrology 70 (2000) 153-163 |
|
The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece |
|
Locality: Sounion, Lavrion mining district, Greece |
|
_database_code_amcsd 0014644 |
|
7.701 5.365 12.126 90 90.41 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) |
|
Mg .25174 .08904 .14970 .01641 .0232 .0121 .0140 -.00004 .0004 -.00021 |
|
C .2440 .13800 .40863 .0169 .0215 .0141 .0152 .0009 .0004 -.0006 |
|
O1 .52293 .0924 .15188 .0280 .0245 .0289 .0308 -.007 .0046 .0054 |
|
O2 .98342 .0948 .14742 .0335 .0233 .0535 .0237 .0056 -.0021 .0001 |
|
O3 .2598 .41104 .06205 .0263 .0476 .0125 .0188 .0012 .0005 -.0007 |
|
O4 .24401 .20669 .30691 .0213 .0351 .0148 .0139 -.0008 .0012 -.0005 |
|
O5 .25136 .81644 .02004 .0205 .0327 .0146 .0141 .0011 .0011 .0020 |
|
O6 .2803 .3498 .83840 .0382 .0508 .0393 .0246 .0003 .0024 -.0020 |
|
H1 .582 .153 .100 .043 |
|
H2 .575 -.033 .158 .067 |
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H3 .920 .155 .093 .047 |
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H4 .925 .114 .206 .039 |
|
H5 .177 .313 .829 .040 |
|
H6 .273 .378 .904 .063 |
|
|
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|
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|
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 |
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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 |
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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) |
|
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 |
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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 |
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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 |
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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 |
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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 |
|
|
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|
| |
|
Leogangite |
| |
Lengauer C L, Giester G, Kirchner E |
| |
Mineralogy and Petrology 81 (2004) 187-201 |
|
Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining |
|
district, Salzburg province, Austria |
|
Locality: Leogang polymetallic ore district, Salzburg province, Austria |
|
_database_code_amcsd 0014647 |
|
21.770 12.327 10.720 90 92.85 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .2355 .0338 .2184 .0365 .044 .048 .017 .000 .003 .002 |
|
Cu2 .3638 .1397 .0948 .0387 .048 .050 .018 -.001 .003 .003 |
|
Cu3 .1635 .1355 .4862 .0404 .051 .048 .023 .000 .004 .003 |
|
Cu4 .1304 .4584 .1609 .0402 .044 .058 .019 .000 .001 -.001 |
|
Cu5 .1634 .2337 .1929 .0412 .050 .055 .019 .001 .002 .003 |
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As1 .1784 .3883 .4349 .0353 .042 .047 .017 .000 .0012 .001 |
|
As2 .3114 .3913 .0677 .0364 .048 .044 .017 .000 .0017 .002 |
|
S .5 .0867 .250 .047 .036 .071 .032 0 -.002 0 |
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O1 .1790 .286 .539 .041 .038 .06 .027 .006 .001 .001 |
|
O2 .1398 .354 .300 .040 .05 .05 .018 -.007 .004 -.007 |
|
O3 .2507 .427 .405 .042 .05 .06 .025 .007 .001 .001 |
|
O4 .1375 .496 .490 .036 .039 .04 .025 .000 .005 -.004 |
|
O5 .3633 .491 .066 .043 .026 .06 .046 .004 .004 .000 |
|
O6 .2502 .432 .145 .040 .06 .05 .017 -.005 .003 -.004 |
|
O7 .3446 .285 .144 .045 .07 .05 .021 .004 -.018 .018 |
|
O8 .2893 .358 -.084 .047 .06 .06 .027 -.004 -.001 .000 |
|
O9 .463 .026 .329 .111 .09 .13 .11 .06 -.01 -.02 |
|
O10 .459 .154 .171 .079 .07 .08 .09 .03 -.029 -.014 |
|
OH1 .2092 .156 .326 .038 .05 .05 .019 .000 .013 -.001 |
|
OH2 .1149 .320 .073 .039 .037 .06 .018 -.001 -.005 .003 |
|
OH3 .3357 .080 .249 .036 .027 .05 .027 -.001 .004 .008 |
|
Wat1 .080 .121 .218 .12 .11 .12 .14 .05 -.01 -.01 |
|
Wat2 .1147 .118 .640 .065 .06 .09 .044 -.013 .007 -.002 |
|
Wat3 .012 .320 .425 .102 .09 .13 .09 .01 .01 -.01 |
|
Wat4 .485 .391 .101 .16 .14 .17 .16 -.01 .01 .00 |
|
|
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|
| |
|
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 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
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 |
|
MnA 1/3 2/3 .25 .193 .0160 .0157 .0157 .0165 .00785 0 0 |
|
BeT2 .5 0 .25 .607 .0114 .0140 .0059 .0117 .00295 0 0 |
|
MgT2 .5 0 .25 .393 .0114 .0140 .0059 .0117 .00295 0 0 |
|
SiT1 .10056 .35367 .10910 .0123 .0115 .0119 .0132 .0057 -.0002 -.0021 |
|
O1 .1190 .4085 0 .0294 .047 .024 .0124 .014 0 0 |
|
O2 .2107 .2814 .1284 .0299 .0290 .0393 .0358 .0277 -.0006 -.0040 |
|
O3 .1353 .4918 .1790 .0222 .0304 .0193 .0222 .0164 -.0106 -.0094 |
|
|
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|
| |
|
Rondorfite |
| |
Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
|
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
|
K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
|
Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
|
Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
|
Eastern Eifel volcanic area, Eifel, Germany |
|
_database_code_amcsd 0014723 |
|
15.0850 15.0850 15.0850 90 90 90 *Fd3 |
|
.125 .125 .125 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM1 .5 .5 .5 .00710 .00710 .00710 .00710 .00106 .00106 .00106 |
|
CaM2 .34060 .125 .125 .00865 .0089 .0089 .0089 0 0 -.00155 |
|
MgT2 .125 .125 .125 .912 .0061 .0061 .0061 .0061 0 0 0 |
|
FeT2 .125 .125 .125 .028 .0061 .0061 .0061 .0061 0 0 0 |
|
AlT2 .125 .125 .125 .060 .0061 .0061 .0061 .0061 0 0 0 |
|
SiT1 .25943 .25943 .25943 .00521 .00521 .00521 .00521 .00018 .00018 .00018 |
|
O1 .19679 .19679 .19679 .0121 .0121 .0121 .0121 -.0031 -.0031 -.0031 |
|
O2 .60157 .29601 .01994 .0088 .0065 .0095 .0105 -.0012 .0003 -.0015 |
|
Cl 0 0 0 .929 .0118 .0118 .0118 .0118 0 0 0 |
|
O3 0 0 0 .071 .0118 .0118 .0118 .0118 0 0 0 |
|
|
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|
| |
|
Almarudite |
| |
Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
|
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
|
K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
|
Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
|
Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
|
Eastern Eifel volcanic area, Eifel, Germany |
|
_database_code_amcsd 0014724 |
|
9.997 9.997 14.090 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA 0 0 .25 .928 .0251 .0243 .0243 .0268 .0122 0 0 |
|
NaB 1/3 2/3 .025 .050 .009 .002 .002 .02 .001 0 0 |
|
MnM 1/3 2/3 .25 .529 .0106 .0109 .0109 .0099 .0055 0 0 |
|
FeM 1/3 2/3 .25 .310 .0106 .0109 .0109 .0099 .0055 0 0 |
|
MgM 1/3 2/3 .25 .161 .0106 .0109 .0109 .0099 .0055 0 0 |
|
BeT2 .5 0 .25 .738 .0114 .0130 .0104 .0099 .0065 0 0 |
|
AlT2 .5 0 .25 .262 .0114 .0130 .0104 .0099 .0065 0 0 |
|
SiT1 .09503 .35169 .10857 .0085 .0090 .0104 .0066 .00521 -.00035 -.00154 |
|
O1 .1130 .4089 0 .0221 .0373 .0206 .0074 .0138 0 0 |
|
O2 .2077 .2827 .12747 .0241 .0273 .0373 .0216 .0265 -.0036 -.0064 |
|
O3 .12912 .48752 .18076 .0150 .0236 .0156 .0105 .0132 -.0028 -.0040 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Wadalite |
| |
Mihajlovic T, Lengauer C L, Ntaflos T, Lolitsch U, Tillmanns E |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 179 (2004) 265-294 |
|
Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, |
|
K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, |
|
Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany |
|
Locality: Bellerberg volcano lava field, 2 km N of Mayen, |
|
Eastern Eifel volcanic area, Eifel, Germany |
|
_database_code_amcsd 0014725 |
|
12.0343 12.0343 12.0343 90 90 90 I-43d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM .10461 0 .25 .00965 .00924 .00832 .01138 0 0 .00175 |
|
SiT2 .23312 .23312 .23312 .485 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
|
AlT2 .23312 .23312 .23312 .331 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
|
FeT2 .23312 .23312 .23312 .165 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
|
TiT2 .23312 .23312 .23312 .019 .0058 .00583 .00583 .00583 .00034 .00034 .00034 |
|
AlT1 .375 0 .25 .788 .0074 .0057 .00820 .00820 0 0 0 |
|
SiT1 .375 0 .25 .050 .0074 .0057 .00820 .00820 0 0 0 |
|
FeT1 .375 0 .25 .049 .0074 .0057 .00820 .00820 0 0 0 |
|
MgT1 .375 0 .25 .113 .0074 .0057 .00820 .00820 0 0 0 |
|
O1 .06319 .06319 .06319 .0142 .0142 .0142 .0142 .0033 .0033 .0033 |
|
O2 .03132 .05061 .64877 .0130 .0130 .0108 .0152 .0011 -.0020 .0015 |
|
Cl1 .875 0 .25 .949 .0206 .0085 .0267 .0267 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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