|
Hartite |
 |
Bouska V, Cisarova I, Skala R, Dvorak A, Zelinka J, Zak K |
 |
American Mineralogist 83 (1998) 1340-1346 |
|
Hartite from Bilina |
|
_database_code_amcsd 0002053 |
|
11.407 20.952 7.4060 93.941 100.750 80.499 P1 |
|
atom x y z Uiso |
|
C011 .4901 .0532 .2159 .0061 |
|
C021 .4947 .0192 .3944 .0086 |
|
C031 .4165 .0560 .5235 .0086 |
|
C041 .4500 .1232 .5745 .0071 |
|
C051 .4412 .1641 .4057 .0050 |
|
C061 .5040 .2245 .4698 .0051 |
|
C071 .4461 .2699 .6122 .0071 |
|
C081 .5068 .3291 .6693 .0082 |
|
C091 .5349 .3609 .5063 .0073 |
|
C101 .6133 .3112 .4044 .0071 |
|
C111 .5263 .2655 .3155 .0051 |
|
C121 .5792 .2218 .1673 .0059 |
|
C131 .5147 .1642 .1042 .0054 |
|
C141 .5141 .1237 .2677 .0048 |
|
C151 .5926 .0170 .1208 .0089 |
|
C161 .3706 .0486 .0852 .0074 |
|
C171 .3067 .1830 .3242 .0058 |
|
C181 .4263 .3791 .3523 .0068 |
|
C191 .3113 .4146 .4130 .0088 |
|
C201 .4137 .3146 .2400 .0057 |
|
C012 -.0831 .1120 .7996 .0067 |
|
C022 -.1049 .0916 .5947 .0078 |
|
C032 -.0193 .1135 .4880 .0079 |
|
C042 -.0249 .1870 .5042 .0065 |
|
C052 -.0008 .2137 .7041 .0049 |
|
C062 -.0413 .2885 .7020 .0056 |
|
C072 -.0257 .3247 .5909 .0071 |
|
C082 -.0161 .3982 .5937 .0092 |
|
C092 -.0324 .4259 .7849 .0090 |
|
C102 -.1196 .3917 .8545 .0090 |
|
C112 -.0477 .3237 .8925 .0064 |
|
C122 -.1091 .2873 .0089 .0079 |
|
C132 -.0664 .2156 .0116 .0075 |
|
C142 -.0819 .1854 .8150 .0058 |
|
C152 -.1892 .0966 .8811 .0099 |
|
C162 .0321 .0711 .9007 .0090 |
|
C172 .1349 .1957 .7777 .0059 |
|
C182 .0802 .4111 .9331 .0076 |
|
C192 .1984 .4220 .8847 .0085 |
|
C202 .0759 .3418 .9877 .0064 |
|
C013 -.0089 .6160 .4404 .0055 |
|
C023 -.0123 .5798 .2525 .0072 |
|
C033 .0706 .6003 .1379 .0082 |
|
C043 .0415 .6729 .1065 .0075 |
|
C053 .0479 .7147 .2869 .0048 |
|
C063 -.0124 .7853 .2382 .0052 |
|
C073 .0503 .8178 .1109 .0078 |
|
C083 -.0073 .8881 .0707 .0091 |
|
C093 -.0380 .9273 .2439 .0077 |
|
C103 -.1202 .9831 .3265 .0077 |
|
C113 -.0357 .8325 .4035 .0053 |
|
C123 -.0946 .8005 .5347 .0067 |
|
C133 -.0334 .7826 .5837 .0062 |
|
C143 -.0300 .6897 .4089 .0047 |
|
C153 -.1133 .5992 .5215 .0081 |
|
C163 .1075 .5916 .5701 .0081 |
|
C173 .1812 .7103 .3781 .0067 |
|
C183 .0671 .9280 .4019 .0077 |
|
C193 .1844 .9425 .3603 .0107 |
|
C203 .0766 .8627 .4948 .0063 |
|
C014 .5269 .8153 -.2583 .0064 |
|
C024 .4258 .8576 -.1764 .0072 |
|
C034 .4163 .8403 .0154 .0083 |
|
C044 .4006 .7692 .0164 .0074 |
|
C054 .5024 .7216 -.0514 .0050 |
|
C064 .4623 .6533 -.0824 .0054 |
|
C074 .4434 .6240 .0924 .0074 |
|
C084 .4062 .5566 .0592 .0091 |
|
C094 .4801 .5127 -.0645 .0079 |
|
C104 .4675 .5454 -.2440 .0079 |
|
C114 .5390 .6019 -.1891 .0054 |
|
C124 .5649 .6299 -.3599 .0072 |
|
C134 .6084 .6950 -.3236 .0066 |
|
C144 .5156 .7433 -.2425 .0053 |
|
C154 .6507 .8338 -.1652 .0087 |
|
C164 .5082 .8308 -.4636 .0097 |
|
C174 .6180 .7213 .0919 .0066 |
|
C184 .6167 .5049 -.0008 .0069 |
|
C194 .6655 .4897 .2008 .0096 |
|
C204 .6522 .5666 -.0649 .0061 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Vajdakite |
| |
Ondrus P, Skala R, Cisarova I, Veselovsky F, Fryda J, Cejka J |
|
American Mineralogist 87 (2002) 983-990 |
|
Description and crystal structure of vajdakite, [(MoO2)2(H2O)2As2O5].H2O - |
|
a new mineral from Jachymov, Czech Republic |
|
_database_code_amcsd 0002870 |
|
7.0398 12.0682 12.210 90 101.265 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .6214 .2121 .2757 .012 .009 .017 .007 .002 -.004 .000 |
|
Mo2 .1799 .2321 .0905 .013 .010 .019 .007 .001 -.004 -.001 |
|
As1 .2066 .1418 -.1626 .013 .011 .018 .008 -.003 -.004 -.001 |
|
As2 .6245 .3440 .5030 .013 .010 .020 .007 -.003 -.003 .000 |
|
O1 -.0333 .2915 .1068 .024 .018 .038 .010 .008 -.008 -.002 |
|
O2 .4963 .1976 .1095 .014 .009 .025 .006 .003 -.001 .002 |
|
O3 .1387 .0951 .1006 .026 .030 .019 .028 -.001 -.001 .000 |
|
O4 .8084 .1267 .2671 .022 .018 .031 .014 .005 -.005 -.004 |
|
O5 .7186 .3414 .2745 .022 .023 .020 .024 -.002 .005 .003 |
|
O6 .3147 .2659 .2485 .014 .010 .026 .005 .004 -.005 -.002 |
|
O7 .1681 .2432 -.0668 .019 .016 .029 .008 .004 -.004 .001 |
|
O8 .4275 .0840 -.0875 .014 .015 .015 .011 .003 -.004 .000 |
|
O9 .6029 .2158 .4300 .018 .015 .028 .006 .001 -.008 .000 |
|
Wat10 .4588 .0470 .2832 .022 .020 .020 .022 -.001 -.007 .002 |
|
Wat11 .2886 .4090 .0742 .034 .038 .025 .031 -.011 -.010 .000 |
|
Wat12 .1477 .0137 .3705 .025 .017 .026 .027 -.003 -.008 -.011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cejkaite |
| |
Ondrus P, Skala R, Veselovsky F, Sejkora J, Vitti C |
|
American Mineralogist 88 (2003) 686-693 |
|
Cejkaite, the triclinic polymorph of Na4(UO2)(CO3)3 - a new mineral |
|
from Jachymov, Czech Republic |
|
_database_code_amcsd 0003078 |
|
9.291 9.292 12.895 90.73 90.82 120.00 P-1 |
|
atom x y z |
|
Na1 0 0 0 |
|
Na1a 0 0 .5 |
|
Na2 0 0 .2530 |
|
Na3 .4318 .3056 .1222 |
|
Na3a .1148 .6904 .3673 |
|
Na3b .3176 .4385 .3777 |
|
Na3c .4284 .1249 .6166 |
|
Na3d .1251 .4345 .8714 |
|
Na3e .3100 .8824 .8784 |
|
U1 .3268 .6609 .1299 |
|
U1a .3240 .6583 .6279 |
|
C1 .0786 .3229 .142 |
|
C1a .2549 .9295 .149 |
|
C1b .3340 .0751 .393 |
|
C1c .073 .7548 .637 |
|
C1d .2552 .3169 .6743 |
|
C1e .3219 .2568 .855 |
|
O1 .3348 .6689 .2723 |
|
O1a .3332 .6718 .7701 |
|
O2 .3340 .6706 .9892 |
|
O2a .3239 .6713 .4871 |
|
O11 .0390 .4391 .134 |
|
O11a .4007 .9506 .126 |
|
O11b .4632 .0542 .394 |
|
O11c .0394 .6003 .635 |
|
O11d .397 .443 .647 |
|
O11e .4520 .4058 .865 |
|
O12 .1461 .7706 .153 |
|
O12a .2357 .3768 .163 |
|
O12b .3865 .2349 .395 |
|
O12c .1526 .3747 .672 |
|
O12d .2336 .8554 .650 |
|
O12e .3803 .1545 .859 |
|
O13 .2139 .0338 .1260 |
|
O13a .0452 .2216 .3821 |
|
O13b .1844 .9671 .3813 |
|
O13c .2158 .1865 .6243 |
|
O13d .0356 .8211 .8753 |
|
O13e .1776 .2155 .8804 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Troilite |
|
Skala R, Cisarova I, Drabek M |
|
American Mineralogist 91 (2006) 917-921 |
|
Inversion twinning in troilite |
|
Sample: Etter |
|
_database_code_amcsd 0004158 |
|
5.9650 5.9650 11.7570 90 90 120 P-62c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .3791 .0549 .12303 .0152 .0183 .0155 .0130 .0093 -.0003 -.0009 |
|
S1 0 0 0 .0136 .0115 .0115 .0178 .00575 0 0 |
|
S2 1/3 2/3 .0198 .0125 .0114 .0114 .0147 .0057 0 0 |
|
S3 .6653 -.0035 .25 .0130 .0129 .0110 .0149 .0059 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Troilite |
|
Skala R, Cisarova I, Drabek M |
|
American Mineralogist 91 (2006) 917-921 |
|
Inversion twinning in troilite |
|
Sample: Georgetown |
|
_database_code_amcsd 0004159 |
|
5.9650 5.9650 11.7590 90 90 120 P-62c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .3788 .0548 .12311 .0145 .0177 .0153 .0119 .0093 -.0004 -.0009 |
|
S1 0 0 0 .0125 .0101 .0101 .0175 .00505 0 0 |
|
S2 1/3 2/3 .0200 .0112 .0099 .0099 .0138 .00495 0 0 |
|
S3 .6652 -.0033 .25 .0118 .0120 .0110 .0127 .0059 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Troilite |
|
Skala R, Cisarova I, Drabek M |
|
American Mineralogist 91 (2006) 917-921 |
|
Inversion twinning in troilite |
|
Sample: Synthetic |
|
_database_code_amcsd 0004160 |
|
5.9660 5.9660 11.7650 90 90 120 P-62c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .3786 .0546 .12302 .0180 .0215 .0182 .0154 .0108 -.0006 -.0013 |
|
S1 0 0 0 .0172 .0161 .0161 .0194 .00805 0 0 |
|
S2 1/3 2/3 .0198 .0149 .0146 .0146 .0157 .00785 0 0 |
|
S3 .6656 -.0029 .25 .0150 .0141 .0144 .0172 .0075 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vistepite |
|
Hybler J, Petricek V, Jurek K, Skala R, Cisarova I |
|
The Canadian Mineralogist 35 (1997) 1283-1292 |
|
Structure determination of vistepite SnMn4B2Si4O16(OH)2: Isotypism with |
|
bustamite, revised crystallographic data and composition |
|
_database_code_amcsd 0005531 |
|
6.973 7.365 7.665 89.94 62.94 76.88 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sn 0 0 0 .0067 .0090 .0044 -.0021 -.0009 .0016 |
|
Mn1 .8108 .2762 -.2634 .0129 .0165 .0076 -.0041 -.0028 .0028 |
|
Mn2 .3042 .2866 -.2623 .0083 .0156 .0095 -.0011 -.0007 .0026 |
|
Si1 .0742 .3274 .2426 .0060 .013 .007 -.0036 -.002 .0030 |
|
Si2 .5327 .3252 .2216 .006 .015 .006 -.003 -.001 .0022 |
|
B -.252 .122 .431 .012 .013 .007 -.007 -.005 .005 |
|
H .32 .02 .33 .10 |
|
O1 -.141 -.0431 .2885 .015 .013 .012 -.007 -.005 .003 |
|
O2 .1201 .2174 .0375 .017 .017 .009 -.009 -.005 .002 |
|
O3 .5650 .2549 .4109 .012 .017 .012 -.001 -.006 -.001 |
|
O4 .7282 .1939 .0237 .013 .014 .012 -.004 -.006 .005 |
|
O5 -.0897 .2296 .4247 .010 .015 .011 -.009 -.004 .003 |
|
O6 .3012 .2750 .2618 .013 .020 .015 -.009 -.004 .007 |
|
O7 -.016 .5495 .2636 .014 .013 .017 -.002 -.008 .001 |
|
O8 .513 .5445 .2045 .013 .016 .014 -.004 -.006 .001 |
|
O9 -.357 .0827 .6397 .012 .016 .007 -.006 -.001 .005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vavrinite |
| |
Laufek F, Drabek M, Skala R, Haloda J, Taborsky Z, Cisarova I |
| |
The Canadian Mineralogist 45 (2007) 1213-1219 |
|
Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide |
|
deposit, Czech Republic |
|
Locality: synthetic |
|
_database_code_amcsd 0006154 |
|
3.9090 3.9090 15.6820 90 90 120 P6_3/mmc |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ni 0 0 .1657 .012 .011 .011 .015 .0039 0 0 |
|
Sb 1/3 2/3 .25 .0082 .006 .006 .012 .0031 0 0 |
|
Te 1/3 2/3 .58704 .0086 .007 .007 .010 .0055 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Telluronevskite |
|
Ridkosil T, Skala R, Johan Z, Srein V |
| |
European Journal of Mineralogy 13 (2001) 177-185 |
|
Telluronevskite, Bi3TeSe2, a new mineral |
|
_database_code_amcsd 0006856 |
|
4.264 4.264 23.25 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
Bi1 0 0 .1265 .98 .54 |
|
Te1 0 0 .1265 .02 .54 |
|
Bi2 1/3 2/3 .2942 .98 .54 |
|
Te2 1/3 2/3 .2942 .02 .54 |
|
Bi3 2/3 1/3 .4589 .98 .54 |
|
Te3 2/3 1/3 .4589 .02 .54 |
|
Te1 1/3 2/3 .0566 .95 1.38 |
|
Se1 1/3 2/3 .0566 .05 1.38 |
|
Se1 2/3 1/3 .2157 .84 1.38 |
|
S1 2/3 1/3 .2157 .16 1.38 |
|
Se2 0 0 .3686 .84 1.38 |
|
S2 0 0 .3686 .16 1.38 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Parascorodite |
|
Perchiazzi N, Ondrus P, Skala R |
| |
European Journal of Mineralogy 16 (2004) 1003-1007 |
|
Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4 |
|
_database_code_amcsd 0007087 |
|
8.9232 8.9232 9.9296 90 90 120 P-3c1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 1/3 2/3 .3070 .056 .058 .058 .051 .029 0 0 |
|
Fe2 0 0 0 .038 .048 .048 .017 .024 0 0 |
|
Wat .8615 .5046 .0642 .014 |
|
As1 .2735 0 .25 .020 .019 .021 .017 .010 -.0001 -.0003 |
|
O1 .4621 .1664 .2999 .012 |
|
O2 .2136 .0695 .1175 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vihorlatite |
| |
Skala R, Ondrus P, Veselovky F, Taborsky Z, Duda R |
| |
European Journal of Mineralogy 19 (2007) 255-265 |
|
Vihorlatite, Bi24Se17Te4, a new mineral of the tetradymite group from Vihorlat Mts, |
|
Slovakia |
|
Locality: Vihorlat Mountains, eastern Slovakia |
|
_database_code_amcsd 0007218 |
|
4.277 4.277 86.93 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Se1 0 0 0 .90 .027 |
|
S1 0 0 0 .10 .027 |
|
Bi1 2/3 1/3 .0202 .86 .015 |
|
Te1 2/3 1/3 .0202 .14 .015 |
|
Se2 1/3 2/3 .0409 .90 .027 |
|
S2 1/3 2/3 .0409 .10 .027 |
|
Bi2 0 0 .0660 .99 .012 |
|
Te2 0 0 .0660 .01 .012 |
|
Bi3 2/3 1/3 .0872 .99 .012 |
|
Te3 2/3 1/3 .0872 .01 .012 |
|
Se3 1/3 2/3 .1121 .90 .027 |
|
S3 1/3 2/3 .1121 .10 .027 |
|
Bi4 0 0 .1327 .86 .015 |
|
Te4 0 0 .1327 .14 .015 |
|
Se4 2/3 1/3 .1536 .90 .027 |
|
S4 2/3 1/3 .1536 .10 .027 |
|
Bi5 1/3 2/3 .1737 .86 .015 |
|
Te5 1/3 2/3 .1737 .14 .015 |
|
Te5 0 0 .1959 .023 |
|
Te6 2/3 1/3 .2275 .023 |
|
Bi6 1/3 2/3 .2502 .86 .015 |
|
Te6 1/3 2/3 .2502 .14 .015 |
|
Se7 0 0 .2706 .90 .027 |
|
S7 0 0 .2706 .10 .027 |
|
Bi7 2/3 1/3 .2905 .86 .015 |
|
Te7 2/3 1/3 .2905 .14 .015 |
|
Se8 1/3 2/3 .3110 .90 .027 |
|
S8 1/3 2/3 .3110 .10 .027 |
|
Bi8 0 0 .3362 .99 .012 |
|
Te8 0 0 .3362 .01 .012 |
|
Bi9 2/3 1/3 .3577 .99 .012 |
|
Te9 2/3 1/3 .3577 .01 .012 |
|
Se9 1/3 2/3 .3825 .90 .027 |
|
S9 1/3 2/3 .3825 .10 .027 |
|
Bi10 0 0 .4023 .86 .015 |
|
Te10 0 0 .4023 .14 .015 |
|
Se10 2/3 1/3 .4236 .90 .027 |
|
S10 2/3 1/3 .4236 .10 .027 |
|
Bi11 1/3 2/3 .4444 .86 .015 |
|
Te11 1/3 2/3 .4444 .14 .015 |
|
Se11 0 0 .4641 .90 .027 |
|
S11 0 0 .4641 .10 .027 |
|
Bi12 2/3 1/3 .4895 .86 .012 |
|
Te12 2/3 1/3 .4895 .14 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Acuna |
|
_database_code_amcsd 0008924 |
|
9.0680 9.0680 4.4610 90 90 90 I-4 |
|
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 .10714 .92081 .2312 .89 .0107 .0108 .0116 .0096 .0001 -.0006 .0003 |
|
Ni1 .10714 .92081 .2312 .11 .0107 .0108 .0116 .0096 .0001 -.0006 .0003 |
|
Fe2 .03225 .63920 .9830 .81 .0102 .0101 .0111 .0092 -.0002 .0005 -.0002 |
|
Ni2 .03225 .63920 .9830 .19 .0102 .0101 .0111 .0092 -.0002 .0005 -.0002 |
|
Fe3 .21910 .82938 .7516 .56 .0102 .0113 .0104 .0089 -.0003 .0001 .0008 |
|
Ni3 .21910 .82938 .7516 .44 .0102 .0113 .0104 .0089 -.0003 .0001 .0008 |
|
P .0467 .7078 .4872 .0097 .0096 .0117 .0078 -.0002 -.0009 .0007 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Carlton |
|
_database_code_amcsd 0008925 |
|
9.0575 9.0575 4.4622 90 90 90 I-4 |
|
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 .1074 .9211 .2306 .90 .0156 .0146 .0158 .0166 .0006 -.0013 .0001 |
|
Ni1 .1074 .9211 .2306 .10 .0156 .0146 .0158 .0166 .0006 -.0013 .0001 |
|
Fe2 .0329 .6390 .9817 .86 .0146 .0137 .0139 .0161 -.0003 .0012 .0001 |
|
Ni2 .0329 .6390 .9817 .14 .0146 .0137 .0139 .0161 -.0003 .0012 .0001 |
|
Fe3 .2189 .8302 .7500 .31 .0159 .0159 .0147 .0172 .0012 .0006 -.0002 |
|
Ni3 .2189 .8302 .7500 .69 .0159 .0159 .0147 .0172 .0012 .0006 -.0002 |
|
P .0479 .7080 .4863 .0155 .0147 .015 .017 .0015 .0005 -.0015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Hex River Mts cl#1 |
|
_database_code_amcsd 0008926 |
|
9.0470 9.0470 4.4600 90 90 90 I-4 |
|
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 .07875 .10745 .2302 .88 .0079 .0072 .0082 .0084 .0002 -.0006 .0005 |
|
Ni1 .07875 .10745 .2302 .12 .0079 .0072 .0082 .0084 .0002 -.0006 .0005 |
|
Fe2 .36110 .03287 .9820 .72 .0076 .0070 .0076 .0082 -.0001 .0004 .0000 |
|
Ni2 .36110 .03287 .9820 .28 .0076 .0070 .0076 .0082 -.0001 .0004 .0000 |
|
Fe3 .16974 .21908 .7501 .28 .0081 .0084 .0075 .0083 -.0004 -.0001 .0011 |
|
Ni3 .16974 .21908 .7501 .72 .0081 .0084 .0075 .0083 -.0004 -.0001 .0011 |
|
P .29228 .04796 .4863 .0069 .0067 .0074 .0065 -.0005 .0001 .0007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Hex River Mts cl#2 |
|
_database_code_amcsd 0008927 |
|
9.0510 9.0510 4.4620 90 90 90 I-4 |
|
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 .10754 .92137 .2300 .95 .0084 .0080 .0088 .0085 .0001 -.0008 .0003 |
|
Ni1 .10754 .92137 .2300 .05 .0084 .0080 .0088 .0085 .0001 -.0008 .0003 |
|
Fe2 .03303 .63877 .9815 .71 .0082 .0079 .0085 .0083 .0001 .0005 .0000 |
|
Ni2 .03303 .63877 .9815 .29 .0082 .0079 .0085 .0083 .0001 .0005 .0000 |
|
Fe3 .21901 .83051 .7499 .32 .0083 .0091 .0082 .0078 -.0005 .0000 .0011 |
|
Ni3 .21901 .83051 .7499 .68 .0083 .0091 .0082 .0078 -.0005 .0000 .0011 |
|
P .04846 .70753 .4858 .0077 .0074 .0086 .0070 -.0001 -.0004 .0004 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Hex River Mts cl#3 |
|
_database_code_amcsd 0008928 |
|
9.0400 9.0400 4.4620 90 90 90 I-4 |
|
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 .10781 .92163 .2298 .95 .0085 .0081 .0085 .0088 .0001 -.0006 .0003 |
|
Ni1 .10781 .92163 .2298 .05 .0085 .0081 .0085 .0088 .0001 -.0006 .0003 |
|
Fe2 .03345 .63853 .9805 .64 .0082 .0075 .0082 .0089 -.0000 .0003 .0001 |
|
Ni2 .03345 .63853 .9805 .36 .0082 .0075 .0082 .0089 -.0000 .0003 .0001 |
|
Fe3 .21899 .83113 .7491 .20 .0085 .0091 .0081 .0083 -.0007 .0002 .0009 |
|
Ni3 .21899 .83113 .7491 .80 .0085 .0091 .0081 .0083 -.0007 .0002 .0009 |
|
P .0494 .7075 .4852 .0077 .0071 .0085 .0075 -.0004 .0000 .0006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Odessa cl#1 |
|
_database_code_amcsd 0008929 |
|
9.0600 9.0600 4.4598 90 90 90 I-4 |
|
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 .10724 .92101 .2302 .95 .0034 .0023 .0034 .0044 .0005 -.0004 .0000 |
|
Ni1 .10724 .92101 .2302 .05 .0034 .0023 .0034 .0044 .0005 -.0004 .0000 |
|
Fe2 .03236 .63893 .9828 .87 .0030 .0025 .0027 .0037 -.0002 .0005 .0001 |
|
Ni2 .03236 .63893 .9828 .13 .0030 .0025 .0027 .0037 -.0002 .0005 .0001 |
|
Fe3 .21908 .82960 .7509 .28 .0041 .0044 .0031 .0048 .0012 -.0001 -.0001 |
|
Ni3 .21908 .82960 .7509 .72 .0041 .0044 .0031 .0048 .0012 -.0001 -.0001 |
|
P .0471 .7077 .4870 .0027 .0015 .0033 .0032 .0001 .0009 -.0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Odessa cl#2 |
|
_database_code_amcsd 0008930 |
|
9.0375 9.0375 4.4601 90 90 90 I-4 |
|
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 .07861 .10794 .2312 .86 .0086 .0092 .0097 .0068 .0003 -.0007 -.0003 |
|
Ni1 .07861 .10794 .2312 .14 .0086 .0092 .0097 .0068 .0003 -.0007 -.0003 |
|
Fe2 .36154 .03318 .9801 .66 .0080 .0086 .0090 .0062 -.0002 .0007 .0000 |
|
Ni2 .36154 .03318 .9801 .34 .0080 .0086 .0090 .0062 -.0002 .0007 .0000 |
|
Fe3 .16909 .21880 .7501 .23 .0089 .0107 .0092 .0068 -.0003 .0001 .0007 |
|
Ni3 .16909 .21880 .7501 .77 .0089 .0107 .0092 .0068 -.0003 .0001 .0007 |
|
P .2921 .0489 .4840 .0083 .0092 .0098 .0060 -.0004 -.0009 .0007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Schreibersite |
|
Skala R, Cisarova I |
| |
Physics and Chemistry of Minerals 31 (2005) 721-732 |
|
Crystal structure of meteoritic schreibersites: determination of absolute structure |
|
Sample: Sikhote-Alin |
|
_database_code_amcsd 0008931 |
|
9.0750 9.0750 4.4640 90 90 90 I-4 |
|
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 .10711 .92076 .2308 .98 .0145 .0127 .0137 .0171 .0005 -.0005 -.0001 |
|
Ni1 .10711 .92076 .2308 .02 .0145 .0127 .0137 .0171 .0005 -.0005 -.0001 |
|
Fe2 .03225 .63919 .9834 .93 .0137 .0122 .0128 .0161 .0002 .0003 -.0004 |
|
Ni2 .03225 .63919 .9834 .07 .0137 .0122 .0128 .0161 .0002 .0003 -.0004 |
|
Fe3 .21901 .82942 .7516 .52 .0146 .0141 .0130 .0168 .0010 .0003 -.0002 |
|
Ni3 .21901 .82942 .7516 .48 .0146 .0141 .0130 .0168 .0010 .0003 -.0002 |
|
P .0468 .7078 .4874 .0140 .0125 .0133 .0161 .0008 .0007 -.0005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na4[UO2(CO3)3] |
| |
Cisarova I, Skala R, Ondrus P, Drabek M |
 |
Acta Crystallographica E57 (2001) i32-i34 |
|
Trigonal Na4[UO2(CO3)3] |
|
Note: synthetic polymorph of cejkaite |
|
_database_code_amcsd 0010356 |
|
9.3380 9.3380 12.8170 90 90 120 P-3c1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 0 .0221 .021 .021 .024 .010 0 0 |
|
Na2 0 0 .25 .0229 .025 .023 .020 .012 0 0 |
|
Na3 -.1233 .5688 .12367 .0295 .0174 .0182 .0522 .0085 -.0029 .0014 |
|
U 1/3 2/3 .130224 .01212 .0117 .011 .0136 .005 0 0 |
|
C .0741 .3279 .1280 .0171 .014 .014 .021 .0051 .0039 .0022 |
|
O11 .0462 .4509 .1186 .0274 .0211 .0138 .048 .0092 .0001 .0017 |
|
O12 .2299 .3771 .1436 .0283 .0125 .0139 .057 .0058 .0012 .0022 |
|
O13 -.0358 .1805 .1219 .0235 .0149 .0122 .040 .0042 .0005 -.0015 |
|
O1 1/3 2/3 .2714 .0228 .023 .025 .022 .012 0 0 |
|
O2 1/3 2/3 -.0110 .0214 .026 .024 .013 .012 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Calcite |
|
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I, |
|
Skala R, Sejkora J, Drabek M |
| |
Journal of the Czech Geological Society 48 (2003) 19-147 |
|
Primary minerals of the Jachymov ore district |
|
Locality: Jachymov, Bohemia, Czech Republic |
|
_database_code_amcsd 0017593 |
|
4.9844 4.9844 17.0376 90 90 120 R-3c |
|
atom x y z Biso |
|
Ca 0 0 0 2.72 |
|
C 0 0 .25 2.7 |
|
O .2596 0 .25 3.57 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickelite |
| |
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I, |
|
Skala R, Sejkora J, Drabek M |
| |
Journal of the Czech Geological Society 48 (2003) 19-147 |
|
Primary minerals of the Jachymov ore district |
|
Sample MP511 |
|
Locality: Jachymov, Bohemia, Czech Republic |
|
_database_code_amcsd 0017594 |
|
3.6190 3.6190 5.036 90 90 120 P6_3mc |
|
atom x y z occ |
|
Ni 0 0 0 .97 |
|
Co 0 0 0 .01 |
|
As 1/3 2/3 .25 1.00 |
|
S 1/3 2/3 .25 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sphalerite |
|
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I, |
|
Skala R, Sejkora J, Drabek M |
| |
Journal of the Czech Geological Society 48 (2003) 19-147 |
|
Primary minerals of the Jachymov ore district |
|
Sample J1215P |
|
Locality: Jachymov, Bohemia, Czech Republic |
|
_database_code_amcsd 0017595 |
|
5.4174 5.4174 5.4174 90 90 90 F-43m |
|
atom x y z occ |
|
Zn 0 0 0 .90 |
|
Fe 0 0 0 .11 |
|
S .25 .25 .25 .99 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Vanadinite |
|
Laufek F, Skala R, Haloda J, Cisarova I |
| |
Journal of the Czech Geological Society 51 (2006) 271-275 |
|
Crystal structure of vanadinite: refinement of anisotropic displacement parameters |
|
Locality: Mibladen, Morocco |
|
_database_code_amcsd 0014110 |
|
10.2990 10.2990 7.3080 90 90 120 P6_3/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 1/3 2/3 .00786 .0090 .0107 .0107 .0055 .00538 0 0 |
|
Pb2 .25542 .01425 .25 .0101 .0081 .0063 .0146 .0025 0 0 |
|
V .4097 .3836 .25 .0054 .0064 .0051 .0051 .0033 0 0 |
|
O1 .3329 .4973 .25 .013 .021 .020 .010 .017 0 0 |
|
O2 .6039 .4857 .25 .014 .010 .013 .019 .004 0 0 |
|
O3 .3587 .2689 .0644 .0170 .023 .020 .015 .016 .010 .009 |
|
Cl 0 0 0 .0100 .0112 .0112 .0075 .0056 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickelphosphide |
|
Skala R, Drabek M |
|
Mineralogical Magazine 67 (2003) 783-792 |
|
Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure |
|
refinement of synthetic analogue |
|
Locality: synthetic |
|
Sample: P-44 |
|
_database_code_amcsd 0014567 |
|
9.0127 9.0127 4.4473 90 90 90 I-4 |
|
atom x y z occ Biso |
|
NiMe2 .3659 .0302 .974 .67 .9 |
|
FeMe2 .3659 .0302 .974 .33 .9 |
|
NiMe3 .1677 .2206 .749 .5 |
|
FeMe1 .0795 .1081 .236 2.3 |
|
P .2873 .0482 .480 1.6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nickelphosphide |
|
Skala R, Drabek M |
|
Mineralogical Magazine 67 (2003) 783-792 |
|
Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure |
|
refinement of synthetic analogue |
|
Locality: synthetic |
|
Sample: P-33/3 |
|
_database_code_amcsd 0014568 |
|
8.9499 8.9499 4.3850 90 90 90 I-4 |
|
atom x y z Biso |
|
NiMe1 .0783 .1132 .248 .6 |
|
NiMe2 .3651 .0310 .972 .1 |
|
NiMe3 .1677 .2201 .750 .7 |
|
P .2869 .0458 .480 1.6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Agricolaite |
| |
Skala R, Ondrus P, Veselovsky F, Cisarova I, Hlousek J |
| |
Mineralogy and Petrology 103 (2011) 169-175 |
|
Agricolaite, a new mineral of uranium from Jachymov, Czech Republic |
|
Locality: Jachymov, Czech Republic |
|
_database_code_amcsd 0018661 |
|
10.2380 9.1930 12.2110 90 95.108 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) |
|
U1 .5 .694506 .25 .01135 .01226 .01019 .01178 0 .00210 0 |
|
K1 .68394 .34580 .34698 .02091 .0188 .0222 .0217 .0048 .0018 -.0013 |
|
K2 .60216 .81946 .54382 .02047 .0199 .0219 .0200 -.0034 .0036 -.0032 |
|
C1 .6278 .5382 .0860 .0150 .0150 .0165 .0135 .0002 .0017 -.0021 |
|
C2 .5 .0072 .25 .0171 .019 .010 .022 0 .0045 0 |
|
O1 .5423 .9296 .1706 .0210 .0312 .0137 .0198 .0011 .0113 .0011 |
|
O2 .6042 .6780 .0783 .0166 .0208 .0122 .0173 .0015 .0052 .0018 |
|
O3 .5648 .4733 .1611 .0188 .0246 .0147 .0183 -.0010 .0087 .0009 |
|
O4 .5 .1431 .25 .0235 .035 .0109 .027 0 .0120 0 |
|
O5 .7016 .4733 .0279 .0258 .0310 .0218 .0265 .0080 .0142 .0000 |
|
O6 .6619 .6966 .3205 .0200 .0172 .0230 .0195 -.0011 .0004 .0016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lollingite |
|
Ondrus P, Vavrin I, Skala R, Veselovsky F |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 169-185 |
|
Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. |
|
Rietveld crystal structure refinement |
|
Locality: Haje, Pibram, Czech Republic |
|
_database_code_amcsd 0014909 |
|
5.243 5.978 2.9783 90 90 90 Pnnm |
|
atom x y z occ Biso |
|
Fe 0 0 0 .61 .300 |
|
Ni 0 0 0 .36 .300 |
|
Co 0 0 0 .03 .300 |
|
As .1796 .3654 0 .97 .300 |
|
Sb .1796 .3654 0 .02 .300 |
|
S .1796 .3654 0 .01 .300 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lollingite |
|
Ondrus P, Vavrin I, Skala R, Veselovsky F |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 169-185 |
|
Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. |
|
Rietveld crystal structure refinement |
|
Locality: Dolni Bory, Czech Republic |
|
_database_code_amcsd 0014910 |
|
5.2684 5.9631 2.9007 90 90 90 Pnnm |
|
atom x y z Biso |
|
Fe 0 0 0 .300 |
|
As .1766 .3638 0 .300 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Grimselite |
|
Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I, |
|
Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P |
| |
Mineralogical Magazine 76 (2012) 443-453 |
|
The crystal chemistry of the uranyl carbonate mineral grimselite, |
|
(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic |
|
Note: Sample A |
|
Locality: Jachymov, Czech Republic |
|
_database_code_amcsd 0018908 |
|
9.2507 9.2507 8.1788 90 90 120 P-62c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .2897 0 0 .821 .0355 .0420 .0335 .0282 .0168 .0047 .0095 |
|
Na1 .2897 0 0 .179 .0355 .0420 .0335 .0282 .0168 .0047 .0095 |
|
Na2 1/3 2/3 .75 .0283 .0347 .0347 .0154 .0173 0 0 |
|
U 2/3 1/3 .75 .01364 .01371 .01371 .01350 0 .00685 0 |
|
C .9887 .6296 .75 .024 .019 .021 .032 .010 0 0 |
|
O1 .9697 .4800 .75 .0282 .0154 .021 .0499 .011 0 0 |
|
O2 .8497 .6324 .75 .0314 .022 .025 .050 .0138 0 0 |
|
O3 2/3 1/3 .9686 .0352 .0451 .0451 .0155 .0226 0 0 |
|
O4 .1293 .7588 .75 .0341 .0208 .022 .051 .0045 0 0 |
|
Wat5 0 0 .122 .5 .090 .093 .093 .084 .046 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Grimselite |
|
Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I, |
|
Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P |
| |
Mineralogical Magazine 76 (2012) 443-453 |
|
The crystal chemistry of the uranyl carbonate mineral grimselite, |
|
(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic |
|
Note: Sample B |
|
Locality: Jachymov, Czech Republic |
|
_database_code_amcsd 0018909 |
|
9.3000 9.3000 8.2940 90 90 120 P-62c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2922 0 0 .0368 .0420 .036 .031 .0178 .0043 .009 |
|
Na 1/3 2/3 .75 .027 .029 .029 .022 .0143 0 0 |
|
U 2/3 1/3 .75 .0165 .0149 .0149 .0197 .0075 0 0 |
|
C .989 .632 .75 .022 .021 .016 .028 .009 0 0 |
|
O1 .9677 .478 .75 .026 .010 .020 .048 .008 0 0 |
|
O2 .8475 .6299 .75 .023 .018 .036 .035 .017 0 0 |
|
O3 2/3 1/3 .965 .031 .030 .030 .034 .015 0 0 |
|
O4 .1281 .759 .75 .026 .023 .024 .050 .008 0 0 |
|
Wat5 0 0 .130 .5 .071 .083 .083 .05 .04 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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