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Tumchaite |
| |
Subbotin V V, Merlino S, Pushcharovsky D Y, Pakhomovsky Y A, Ferro O, |
|
Bogdanova A N, Voloshin A V, Sorokhtina N V, Zubkova N V |
 |
American Mineralogist 85 (2000) 1516-1520 |
|
Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the |
|
Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia |
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_database_code_amcsd 0002590 |
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9.144 8.818 7.537 90 113.22 90 P2_1/c |
|
atom x y z occ Uiso |
|
Zr 0 .5 0 .8 .0076 |
|
Sn 0 .5 0 .2 .0076 |
|
Si1 .1669 .1582 .1993 .0093 |
|
Si2 .3176 .4421 .4124 .0093 |
|
Na .2051 .6884 .7109 .0243 |
|
O1 .3148 .2659 .3454 .0129 |
|
O2 .1164 .0346 .3187 .0126 |
|
O3 .0260 .2676 .0660 .0131 |
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O4 .2471 .0543 .0791 .0131 |
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O5 .2145 .5425 .2299 .0120 |
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O6 .5 0 0 .0157 |
|
OW .3709 .6921 .0371 .0317 |
|
H1 .498 .684 .075 .05 |
|
H2 .352 .602 .090 .05 |
|
|
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|
| |
|
Kassite |
 |
Grey I E, Mumme W G, Pekov I V, Pushcharovsky D Y |
|
American Mineralogist 88 (2003) 1331-1335 |
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The crystal structure of chromian kassite from the Saranovskoye deposit, |
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Northern Urals, Russia |
|
_database_code_amcsd 0003155 |
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5.275 9.009 9.557 90 90.43 90 P2_1/a |
|
atom x y z Uiso |
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Ca .0063 .4821 .2505 .0244 |
|
Ti1 .0056 .1605 .4927 .0229 |
|
Ti2 .0010 .1815 .9920 .0239 |
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O1 .380 .4973 .3866 .023 |
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O1a .885 .9971 .8784 .024 |
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O2 .683 .8167 .1211 .023 |
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O2a .189 .3144 .6238 .024 |
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O3 .807 .3105 .3955 .026 |
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O3a .310 .8144 .8994 .024 |
|
|
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|
| |
|
Delindeite |
|
Ferraris G, Ivaldi G, Pushcharovsky D Y, Zubkova N V, Pekov I V |
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The Canadian Mineralogist 39 (2001) 1307-1316 |
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The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2}, |
|
a member of the mero-plesiotype bafertisite series |
|
_database_code_amcsd 0005741 |
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5.327 6.856 21.51 90 93.80 90 A2/m |
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atom x y z occ Uiso |
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Ba .2539 0 .27141 .96 .017 |
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Ba' .254 0 .221 .02 .015 |
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Ba" .261 0 .320 .02 .015 |
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Ti(1) 0 0 0 .015 |
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Ti(2) .2731 1/2 .3453 .057 |
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Si .7891 -.2298 .3788 .020 |
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Na(1) -.055 0 .503 .24 .029 |
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Na(2) 1/2 -.246 1/2 .56 .030 |
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O(1) .827 -.299 .4510 .029 |
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O(2) .097 0 .6252 .54 .022 |
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O(2') .326 0 .616 .46 .032 |
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O(3) .527 -.297 .3461 .061 |
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O(4) .012 -.302 .3399 .072 |
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O(5) -.272 0 .0596 .028 |
|
O(6) .260 .059 .7577 .50 .022 |
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Wat(7) .287 0 .440 .58 .048 |
|
Wat(7') .252 0 .476 .38 .032 |
|
|
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|
| |
|
Sturmanite |
|
Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M, |
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Merlino S, Chukanov N V |
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The Canadian Mineralogist 42 (2004) 723-729 |
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The crystal structure of sturmanite |
|
Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa |
|
_database_code_amcsd 0005934 |
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11.188 11.188 21.91 90 90 120 P31c |
|
atom x y z occ Uiso |
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Fe1 0 0 .0527 .29 .0162 |
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Fe2 0 0 .3015 .30 .0174 |
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Ca1 .0088 .8133 .9276 .0224 |
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Ca2 .9966 .1941 .1775 .0298 |
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S1 1/3 2/3 .5454 .24 .0177 |
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B1 1/3 2/3 .5378 .09 .020 |
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S2 1/3 2/3 .8032 .0253 |
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S3 1/3 2/3 .0571 .0341 |
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B4 1/3 2/3 .3036 .049 |
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O1 .9911 .1295 .9935 .028 |
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O2 .0077 .8616 .1070 .024 |
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O3 -.0028 .1371 .8609 .024 |
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O4 .0057 .8691 .2456 .041 |
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O5 .0023 .3355 .0986 .041 |
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O6 .0157 .6591 .0077 .040 |
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O7 .9939 .3553 .2560 .075 |
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O8 .9952 .6660 .8428 .034 |
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O9 .2655 .4111 .6759 .056 |
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O10 .7416 .5858 .4296 .036 |
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O11 .2397 .3986 .1820 .038 |
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O12 .7393 .5784 .9240 .084 |
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O13 1/3 2/3 .4816 .24 .135 |
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O14 1/3 2/3 .7369 .17 .046 |
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O14' 1/3 2/3 .8694 .17 .046 |
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O15 1/3 2/3 .1218 .017 |
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O16 .1995 .6326 .5671 .025 |
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O17 .1914 .579 .8233 .50 .044 |
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O17' .1963 .632 .7728 .50 .044 |
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O18 .1917 .5844 .0421 .169 |
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O19 .2325 .7100 .2816 .50 .076 |
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O19' .1861 .572 .3248 .50 .076 |
|
O20 1/3 2/3 .3702 .17 .091 |
|
O20' 1/3 2/3 .2363 .17 .091 |
|
|
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|
| |
|
Ilimaussite-(Ce) |
|
Ferraris G, Gula A, Zubkova N V, Pushcharovsky D Y, |
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Gobetchiya E R, Pekov I V, Eldjarn K |
|
The Canadian Mineralogist 42 (2004) 787-795 |
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The crystal structure of ilimaussite-(Ce), |
|
(Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, |
|
and the "ilimaussite" problem |
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_database_code_amcsd 0005939 |
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10.770 10.770 61.05 90 90 120 R32 |
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atom x y z occ Uiso |
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Ce1 2/3 1/3 -.00005 .85 .027 |
|
Fe1 2/3 1/3 -.00005 .15 .027 |
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Ce2 1/3 .0005 1/6 2/3 .048 |
|
Fe2 1/3 .0005 1/6 1/3 .048 |
|
Ba1 .0005 .3263 .1001 2/3 .044 |
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Na1 .0005 .3263 .1001 .22 .044 |
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K1 .0005 .3263 .1001 .12 .044 |
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Ba2 1/3 2/3 .0657 .85 .043 |
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Th2 1/3 2/3 .0657 .15 .043 |
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Ba3 2/3 1/3 .06561 .95 .037 |
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K3 2/3 1/3 .06561 .05 .037 |
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Nb .3439 .3427 .0844 .62 .038 |
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Ti .3439 .3427 .0844 .33 .038 |
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Fe .3439 .3427 .0844 .05 .038 |
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Na1 .489 .485 .0277 .5 .015 |
|
Na2 .505 .505 0 .5 .05 |
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K1 0 0 .0728 .9 .029 |
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Ba1 0 0 .0728 .1 .029 |
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K2 0 0 0 .8 .042 |
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Sr2 0 0 0 .1 .042 |
|
Ba2 0 0 0 .1 .042 |
|
Si1 .3254 .168 .0386 .026 |
|
Si2 .1562 .8297 .0387 .021 |
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Si3 .168 .167 .1302 .5 .016 |
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Si4 .333 .502 .1292 .5 .017 |
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Si5 .505 .331 .1292 .5 .018 |
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O1 .332 .175 .0670 .030 |
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O2 .486 .489 .0678 .041 |
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O3 .157 .822 .0673 .033 |
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O4 .175 .183 .1032 .037 |
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O5 .328 .473 .1022 .045 |
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O6 .486 .333 .1023 .040 |
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O7 .216 -.000 .0300 .039 |
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O8 .478 .220 .0267 .034 |
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O9 .264 .783 .0270 .03 |
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O10 .270 .273 .0281 .029 |
|
OH11 2/3 1/3 .1290 .10 |
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OH12 .3439 .1962 .1390 .10 |
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OH13 .4768 .4690 .1360 .10 |
|
OH14 .2077 .3422 .1380 .10 |
|
OH15 0 0 .1290 .15 |
|
OH16 1/6 1/3 .1290 .15 |
|
|
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|
| |
|
Calcium catapleiite |
|
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
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Zubkova N V, Pekov I V |
|
The Canadian Mineralogist 42 (2004) 1037-1045 |
|
The crystal structure of calcium catapleiite |
|
_database_code_amcsd 0005960 |
|
7.378 12.779 10.096 90 90 90 Pbnn |
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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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Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
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Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
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Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
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Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
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Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
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O1 .4285 .4746 .7374 .0179 .0160 .0147 .0229 .0010 .0021 .0036 |
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O2 .25 .2949 .75 .0219 .0121 .0181 .0354 0 -.0017 0 |
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O3 .2803 .6148 .8839 .0228 .0259 .0266 .0159 -.0016 .0039 -.0106 |
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O4 .5602 .3030 .6250 .0292 .0393 .0317 .0165 -.0107 -.0098 -.0035 |
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O5 .5434 .3293 .8904 .0234 .0290 .0297 .0115 .0148 .0066 -.0039 |
|
O6 .7630 .5827 .9143 .0382 .0300 .0390 .0455 .0069 -.0090 -.0024 |
|
H1 .885 .555 .892 .09 |
|
H2 .768 .581 .013 .04 |
|
|
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|
| |
|
Calciocatapleiite |
|
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
|
Zubkova N V, Pekov I V |
|
The Canadian Mineralogist 42 (2004) 1037-1045 |
|
The crystal structure of calcium catapleiite |
|
_database_code_amcsd 0005961 |
|
7.378 12.779 10.096 90 90 90 Pbnn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
|
Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
|
Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
|
Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
|
Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
|
O1 .4285 .4746 .7374 .0179 .0160 .0147 .0229 .0010 .0021 .0036 |
|
O2 .25 .2949 .75 .0219 .0121 .0181 .0354 0 -.0017 0 |
|
O3 .2803 .6148 .8839 .0228 .0259 .0266 .0159 -.0016 .0039 -.0106 |
|
O4 .5602 .3030 .6250 .0292 .0393 .0317 .0165 -.0107 -.0098 -.0035 |
|
O5 .5434 .3293 .8904 .0234 .0290 .0297 .0115 .0148 .0066 -.0039 |
|
O6 .7630 .5827 .9143 .0382 .0300 .0390 .0455 .0069 -.0090 -.0024 |
|
H1 .885 .555 .892 .09 |
|
H2 .768 .581 .013 .04 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Niveolanite |
| |
Pekov I V, Zubkova N V, Chukanov N V, Agakhanov A A, Belakovskiy D I, Horvath L, |
|
Filinchuk Y E, Gobechiya E R, Pushcharovsky D Y, Rabadanov M K |
| |
The Canadian Mineralogist 46 (2008) 1343-1354 |
|
Niveolanite, the first natural beryllium carbonate, a new mineral species from |
|
Mont Saint-Hilaire, Quebec, Canada |
|
Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0006196 |
|
13.1304 13.1304 5.4189 90 90 90 P4/mcc |
|
atom x y z occ Uiso |
|
Na .41084 .10533 .5 .9 .0283 |
|
Ca .41084 .10533 .5 .09 .0283 |
|
Be .84477 .15523 .25 .0140 |
|
C .6772 .1176 .5 .0176 |
|
O1 .72297 .13374 .7073 .0262 |
|
O2 .58599 .0851 .5 .0307 |
|
O3 .90044 .11618 .5 .08 .0134 |
|
O3H .90044 .11618 .5 .92 .0134 |
|
H .959 .124 .5 .92 .024 |
|
Wat .4249 .2935 .5 .243 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Burpalite |
|
Merlino S, Perchiazzi N, Khomyakov A P, Pushcharovsky D Y, Kulikova I M, Kuzmin V I |
| |
European Journal of Mineralogy 2 (1990) 177-185 |
|
Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: |
|
its crystal structure and OD character |
|
Locality: Burpalinskii massif, North Transbajkal, USSR |
|
_database_code_amcsd 0006380 |
|
10.1173 10.4446 7.2555 90 90.039 90 P2_1/a |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .3769 -.0743 -.1231 1.57 .0161 .0216 .0219 -.0073 -.0002 .0043 |
|
Na2 .3744 -.0708 .3759 1.39 .0171 .0204 .0152 .0003 .0001 -.0032 |
|
Ca .1052 -.1999 .1260 1.29 .0178 .0155 .0156 -.0052 .0006 .0001 |
|
Zr .1070 -.1997 .6247 1.21 .0148 .0170 .0141 .0014 -.0007 -.0002 |
|
Si1 .1671 .1204 -.3479 1.07 .0124 .0106 .0177 .0013 -.0008 .0001 |
|
Si2 .1702 .1215 .0995 1.04 .0093 .0113 .0189 -.0015 -.0002 .0005 |
|
O1 .1681 .1468 -.1206 3.23 .0639 .0498 .0091 .0131 .0038 .0004 |
|
O2 .2658 .2316 .5830 1.90 .0180 .0158 .0385 -.0056 .0086 -.0052 |
|
O3 .2660 .2391 .1652 2.24 .0204 .0242 .0405 -.0035 -.0010 -.0117 |
|
O4 .0189 .1499 .5909 2.25 .0175 .0212 .0469 .0022 .0025 .0009 |
|
O5 .0171 .1469 .1584 2.49 .0132 .0363 .0449 .0055 .0011 -.0032 |
|
O6 .2148 -.0261 .6158 1.43 .0188 .0174 .0183 .0037 .0050 -.0040 |
|
O7 .2243 -.0173 .1381 1.98 .0313 .0090 .0351 .0048 -.0071 .0017 |
|
F1 .4894 .1110 -.1272 2.08 .0304 .0180 .0306 .0038 -.0005 -.0021 |
|
F2 .4837 .1203 .3745 1.72 .0172 .0132 .0351 .0061 .0006 .0003 |
|
|
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|
| |
|
Nenadkevichite |
|
Rastsvetaeva R K, Tamazyan R A, Pushcharovsky D Y, Nadezhina T N |
| |
European Journal of Mineralogy 6 (1994) 503-509 |
|
Crystal structure and microtwinning of K-rich nenadkevichite |
|
Note: Wat4 y-coordinate changed to reproduce reported bond lengths |
|
_database_code_amcsd 0006548 |
|
14.692 14.164 7.859 90 117.87 90 Cm |
|
atom x y z occ Biso |
|
K1 .5001 .8194 .983 .76 3.4 |
|
K2 .432 0 .705 .53 6.8 |
|
K3 .910 0 .648 .44 3.0 |
|
K4 .081 0 .288 .49 3.7 |
|
Na1 .009 0 .468 .58 1.9 |
|
Na2 .796 0 .529 .39 8.8 |
|
Na3 .006 0 .109 .25 13.9 |
|
NbM1 0 .7691 .5 .6 .32 |
|
TiM1 0 .7691 .5 .4 .32 |
|
NbM2 .7434 .7480 .4644 .5 .53 |
|
TiM2 .7434 .7480 .4644 .5 .53 |
|
Si1 .2170 .8920 .7800 1.5 |
|
Si2 .6918 .8916 .736 2.0 |
|
Si3 .8055 .8901 .186 .9 |
|
Si4 .3287 .8914 .230 1.0 |
|
O1 .911 .766 .586 3.2 |
|
O2 .925 .873 .308 1.8 |
|
O3 .268 .867 .341 1.7 |
|
O4 .274 .823 .702 3.3 |
|
O5 .429 .8256 .285 1.4 |
|
O6 .375 0 .280 2.9 |
|
O7 .2512 .879 .003 2.0 |
|
O8 .227 0 .730 1.8 |
|
O9 .104 .7682 .372 .6 |
|
O10 .092 .870 .665 2.3 |
|
O11 .747 .8652 .601 2.1 |
|
O12 .732 .8244 .245 .9 |
|
O13 .591 .826 .672 2.3 |
|
O14 .656 0 .711 1.5 |
|
O15 .771 .872 .956 2.9 |
|
O16 .777 0 .204 1.7 |
|
Wat1 .030 .880 .982 .56 2.7 |
|
Wat2 .564 0 .212 .61 4.2 |
|
Wat3 .299 0 .513 .32 2.6 |
|
Wat4 .036 .827 .025 .37 12.5 |
|
Wat5 .514 0 .891 .36 6.1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Shomiokite-(Y) |
|
Rastsvetaeva R K, Pushcharovsky D Y, Pekov I V |
| |
European Journal of Mineralogy 8 (1996) 1249-1255 |
|
Crystal structure of shomiokite-(Y), Na3Y(CO3)3*3H2O |
|
_database_code_amcsd 0006632 |
|
17.358 10.034 5.946 90 90 90 Pna2_1 |
|
atom x y z Uiso |
|
Na1 .4527 .3740 .9146 .0254 |
|
Na2 .3623 .1393 .4070 .0292 |
|
Na3 .0812 .4840 .4135 .0254 |
|
Y .1618 .1781 .6993 .0131 |
|
C1 .3999 .4477 .411 .0178 |
|
C2 .3058 .1922 .912 .0203 |
|
C3 .0786 .3811 .919 .0178 |
|
O1 .2465 .2686 .968 .0228 |
|
O2 .0459 .4706 .034 .0216 |
|
O3 .0690 .2521 .957 .0216 |
|
O4 .1254 .4076 .758 .0241 |
|
O5 .1672 .0042 .963 .0216 |
|
O6 .2969 .1160 .744 .0279 |
|
O7 .3686 .1992 .025 .0266 |
|
O8 .4224 .3456 .522 .0228 |
|
O9 .4376 .4988 .249 .0228 |
|
Ow1 .0653 .2200 .411 .0266 |
|
Ow2 .2253 .3080 .409 .0368 |
|
Ow3 .1927 .0169 .406 .0355 |
|
H1 .02 .17 .46 .0380 |
|
H2 .06 .22 .26 .0380 |
|
H3 .22 .31 .25 .0380 |
|
H4 .29 .35 .37 .0380 |
|
H5 .18 .04 .21 .0380 |
|
H6 .24 -.02 .42 .0380 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pushcharovskite |
|
Pushcharovsky D Y, Teat S J, Zaitsev V N, Zubkova N V, Sarp H |
| |
European Journal of Mineralogy 12 (2000) 95-104 |
|
Crystal structure of pushcharovskite |
|
_database_code_amcsd 0006814 |
|
13.6164 15.6672 19.1869 106.933 91.531 98.401 P-1 |
|
atom x y z occ Uiso |
|
K .4604 .9897 .2191 .632 .062 |
|
As1 .35281 .61360 .26541 .0106 |
|
As2 .02666 .28725 .28335 .0104 |
|
As3 .68657 .95086 .27406 .0091 |
|
As4 .46902 .40761 .33783 .0097 |
|
As5 .26582 .21807 .17418 .0088 |
|
As6 .11600 .07023 .31652 .0091 |
|
As7 .58948 .55925 .17159 .0094 |
|
As8 .79201 .74394 .33199 .0080 |
|
As9 .92059 .88549 .15530 .0103 |
|
As10 .60967 .78440 .50751 .0094 |
|
As11 .28620 .43840 .50362 .0096 |
|
As12 .79491 .65131 -.00110 .0101 |
|
As13 .03372 .88484 .47447 .0093 |
|
As14 .86994 .03876 .02621 .0114 |
|
As15 .52618 .68949 -.00217 .0103 |
|
Cu1 .48182 .58697 .48636 .0102 |
|
Cu2 .59685 .60824 .34977 .0100 |
|
Cu3 .55730 .75219 .26701 .0109 |
|
Cu4 .71867 .75171 .15919 .0113 |
|
Cu5 .72319 .84699 .03297 .0116 |
|
Cu6 .91879 .83116 -.03443 .0124 |
|
Cu7 .05619 .07214 .15703 .0109 |
|
Cu8 .89223 .09059 .27450 .0114 |
|
Cu9 .91531 .94058 .34397 .0114 |
|
Cu10 .80920 .92628 .48658 .0113 |
|
Cu11 .84161 .75517 .51584 .0115 |
|
Cu12 .27063 .26644 .34663 .0113 |
|
Cu13 .23202 .41499 .26714 .0107 |
|
Cu14 .38555 .41158 .15518 .0102 |
|
Cu15 .40035 .50542 .02899 .0107 |
|
Cu16 .94166 .71585 .20054 .0117 |
|
Cu17 .45488 .76509 .62219 .0103 |
|
Cu18 .86497 .57518 .37727 .0132 |
|
O1 .4742 .6488 .2828 .014 |
|
OH2 .3040 .6524 .2021 .022 |
|
OH3 .2972 .6461 .3431 .016 |
|
O4 .3278 .4975 .2361 .015 |
|
OH5 .9791 .3284 .3631 .019 |
|
O6 .1502 .3150 .2862 .016 |
|
O7 .9953 .1755 .2511 .013 |
|
OH8 .9800 .3341 .2225 .023 |
|
OH9 .6415 .9960 .2152 .017 |
|
OH10 .6280 .9824 .3513 .016 |
|
O11 .8106 .9860 .2919 .012 |
|
O12 .6602 .8361 .2410 .014 |
|
O13 .3468 .3771 .3350 .011 |
|
O14 .4958 .5198 .3671 .015 |
|
O15 .5336 .3592 .3862 .018 |
|
OH16 .5064 .3770 .2489 .019 |
|
O17 .1532 .1677 .1416 .011 |
|
O18 .3068 .1974 .2500 .013 |
|
O19 .2769 .3283 .1801 .011 |
|
OH20 .3462 .1765 .1082 .014 |
|
O21 .1644 .1756 .3619 .015 |
|
O22 .1381 .0391 .2283 .013 |
|
O23 .9929 .0506 .3317 .012 |
|
OH24 .1713 .0016 .3563 .015 |
|
O25 .4744 .5120 .1391 .012 |
|
O26 .6049 .6691 .1800 .010 |
|
O27 .6217 .5305 .2458 .012 |
|
OH28 .6693 .5171 .1060 .016 |
|
O29 .8143 .8570 .3666 .010 |
|
O30 .8591 .6996 .3820 .016 |
|
O31 .8164 .7097 .2436 .016 |
|
O32 .6699 .7152 .3380 .011 |
|
O33 .7983 .8519 .1379 .011 |
|
O34 .9560 .8506 .2252 .016 |
|
O35 .9384 .9969 .1711 .013 |
|
OH36 .9843 .8392 .0826 .016 |
|
OH37 .5443 .8553 .4832 .014 |
|
O38 .5702 .6776 .4548 .013 |
|
O39 .5918 .7897 .5949 .013 |
|
O40 .7313 .8172 .4997 .010 |
|
OH41 .2213 .5109 .4809 .016 |
|
O42 .2698 .4375 .5903 .015 |
|
O43 .4066 .4689 .4914 .010 |
|
O44 .2462 .3307 .4492 .012 |
|
OH45 .8982 .6115 -.0272 .018 |
|
O46 .6972 .5820 -.0522 .014 |
|
O47 .7817 .6599 .0888 .014 |
|
O48 .7998 .7535 -.0170 .010 |
|
OH49 .0897 .7974 .4743 .018 |
|
O50 .1009 .9776 .5320 .012 |
|
O51 .0259 .8940 .3883 .013 |
|
O52 .9192 .8676 .5069 .010 |
|
OH53 .7833 .0914 .0728 .021 |
|
O54 .9862 .0815 .0643 .011 |
|
O55 .8410 .9270 .0145 .012 |
|
OH56 .8694 .0518 -.0589 .019 |
|
OH57 .4185 .7273 .0170 .022 |
|
O58 .6208 .7605 .0531 .015 |
|
O59 .5469 .6832 -.0909 .015 |
|
O60 .5161 .5866 .0130 .007 |
|
OH61 .3178 .6009 .0607 .5 .016 |
|
Wat61 .3178 .6009 .0607 .5 .016 |
|
OH62 .3643 .6421 .4757 .5 .016 |
|
Wat62 .3643 .6421 .4757 .5 .016 |
|
OH63 .6919 .9871 .4844 .5 .015 |
|
Wat63 .6919 .9871 .4844 .5 .015 |
|
OH64 .9500 .6837 .5097 .5 .016 |
|
Wat64 .9500 .6837 .5097 .5 .016 |
|
OH65 .4976 .8383 .3437 .5 .016 |
|
Wat65 .4976 .8383 .3437 .5 .016 |
|
OH66 .9983 .7346 -.0720 .5 .023 |
|
Wat66 .9983 .7346 -.0720 .5 .023 |
|
OH67 .4115 .8587 .5832 .5 .018 |
|
Wat67 .4115 .8587 .5832 .5 .018 |
|
OH68 .8083 .5035 .2584 1/3 .018 |
|
Wat68 .8083 .5035 .2584 2/3 .018 |
|
OH69 .6482 .9471 .0709 .5 .016 |
|
Wat69 .6482 .9471 .0709 .5 .016 |
|
OH70 .7873 .1282 .2213 .5 .019 |
|
Wat70 .7873 .1282 .2213 .5 .019 |
|
OH71 .1750 .5042 .3416 .5 .020 |
|
Wat71 .1750 .5042 .3416 .5 .020 |
|
OH72 .9342 .5806 .1751 .5 .013 |
|
Wat72 .9342 .5806 .1751 .5 .013 |
|
OH73 .0041 .5914 .3454 .5 .032 |
|
Wat73 .0041 .5914 .3454 .5 .032 |
|
OH74 .5088 .8431 .7374 1/3 .024 |
|
Wat74 .5088 .8431 .7374 2/3 .024 |
|
OH75 .3160 .7384 .6497 .5 .032 |
|
Wat75 .3160 .7384 .6497 .5 .032 |
|
OH76 .0578 .7339 .2944 1/3 .016 |
|
Wat76 .0578 .7339 .2944 2/3 .016 |
|
OH77 .8689 .4552 .3936 .5 .011 |
|
Wat77 .8689 .4552 .3936 .5 .011 |
|
OH78 .0431 .7112 .1251 .5 .023 |
|
Wat78 .0431 .7112 .1251 .5 .023 |
|
OH79 .4531 .8262 .1748 1/4 .020 |
|
Wat79 .4531 .8262 .1748 3/4 .020 |
|
OH80 .3807 .0087 .3308 1/3 .028 |
|
Wat80 .3807 .0087 .3308 2/3 .028 |
|
OH81 .4530 .0310 .0990 1/4 .022 |
|
Wat81 .4530 .0310 .0990 3/4 .022 |
|
OH82 .2776 .9402 .1739 1/4 .021 |
|
Wat82 .2776 .9402 .1739 3/4 .021 |
|
Wat83 .112 .528 .1579 .6 .018 |
|
Wat84 .409 .782 .8444 .6 .021 |
|
Wat85 .994 .552 .0435 .6 .026 |
|
Wat86 .876 .174 -.065 .4 .033 |
|
Wat87 .219 .721 -.059 .25 .026 |
|
Wat88a .786 .317 .205 .5 .037 |
|
Wat88b .774 .320 .205 .5 .028 |
|
Wat89a .258 .815 .433 .5 .015 |
|
Wat89b .258 .824 .407 .25 .018 |
|
Wat90a .240 .809 .266 .3 .014 |
|
Wat90b .210 .789 .222 .3 .020 |
|
Wat91a .867 .442 .032 .4 .031 |
|
Wat91b .885 .418 -.002 .3 .021 |
|
Wat92a .330 .831 -.016 .25 .039 |
|
Wat92b .392 .879 -.013 .3 .025 |
|
Wat92c .454 .898 -.005 .25 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sphaerobertrandite |
| |
Pekov I V, Chukanov N V, Larsen A O, Merlino S, Pasero M, Pushcharovsky D Y, |
|
Ivaldi G, Zadov A E, Grishin V G, Asheim A, Tafto J, Chistyakova N I |
| |
European Journal of Mineralogy 15 (2003) 157-166 |
|
Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis |
|
_database_code_amcsd 0006960 |
|
5.082 4.640 17.696 90 106.13 90 P2_1/c |
|
atom x y z Uiso |
|
Be1 .290 .416 .1198 .006 |
|
Be2 .629 .089 .9604 .007 |
|
Be3 .110 .917 .2924 .006 |
|
Si .0274 .4195 .3755 .0073 |
|
O1 .023 .574 .1430 .008 |
|
O2 .045 .571 .2933 .008 |
|
O3 .228 .069 .0990 .001 |
|
O4 .697 .974 .0540 .008 |
|
OH5 .307 .575 .0413 .011 |
|
OH6 .557 .465 .1939 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tillmannsite |
| |
Sarp H, Pushcharovsky D Y, MacLean E J, Teat S J, Zubkova N V |
| |
European Journal of Mineralogy 15 (2003) 177-180 |
|
Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and |
|
crystal structure |
|
_database_code_amcsd 0006963 |
|
7.727 7.727 4.648 90 90 90 I-4 |
|
atom x y z occ Biso |
|
Ag .5707 .6624 .2896 .7525 2.01 |
|
Hg .5707 .6624 .2896 .2475 2.01 |
|
V .5 0 .75 .68 1.5 |
|
As .5 0 .75 .36 1.5 |
|
O .659 .9159 .548 1.8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Shirokshinite |
| |
Pekov I V, Chukanov N V, Ferraris G, Ivaldi G, Pushcharovsky D Y, Zadov A E |
| |
European Journal of Mineralogy 15 (2003) 447-454 |
|
Shirokshinite, K(NaMg2)Si4O10F2, a new mica with octahedral Na from Khidiny massif, |
|
Kola Peninsula: descriptive data and structural disorder |
|
Locality: Khidiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006989 |
|
5.269 9.092 10.197 90 100.12 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 1/2 0 .9 .035 |
|
Na 0 1/2 0 .02 .035 |
|
NaM1 0 0 1/2 .307 .013 |
|
MgM1 0 0 1/2 .657 .013 |
|
FeM1 0 0 1/2 .03 .013 |
|
MnM1 0 0 1/2 .0033 .013 |
|
TiM1 0 0 1/2 .0033 .013 |
|
NaM2 0 .3338 1/2 .307 .019 |
|
MgM2 0 .3338 1/2 .657 .019 |
|
FeM2 0 .3338 1/2 .03 .019 |
|
MnM2 0 .3338 1/2 .0033 .019 |
|
TiM2 0 .3338 1/2 .0033 .019 |
|
Si .0762 .1667 .2261 .995 .015 |
|
Al .0762 .1667 .2261 .005 .015 |
|
O1 .048 0 .164 .024 |
|
O2 .308 .2471 .1636 .024 |
|
O3 .132 .1678 .3849 .019 |
|
F .124 1/2 .3897 .039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Larisaite |
| |
Chukanov N V, Pushcharovsky D Y, Pasero M, Merlino S, Barinova A V, |
|
Mockel S, Pekov I V, Zadov A E, Dubinchuk V T |
| |
European Journal of Mineralogy 16 (2004) 367-374 |
|
Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral |
|
from Repete mine, San Juan County, Utah, U.S.A. |
|
Locality: Repete mine, San Juan County, Utah, USA |
|
_database_code_amcsd 0007065 |
|
6.981 7.646 17.249 90 90 90.039 Pm |
|
atom x y z occ Uiso |
|
Na .442 .083 .878 .6 .21 |
|
K .74 -.11 .5 .15 .34 |
|
U1 .9547 .5586 0 .069 |
|
U2 .4549 -.5575 .5 .090 |
|
U3 .4572 .5641 .8934 .073 |
|
U4 .9572 -.5651 .3933 .087 |
|
Se1 .9470 .6047 .7998 .088 |
|
Se2 .4485 -.6078 .2994 .076 |
|
O1 .139 .624 .859 .105 |
|
O2 .639 -.622 .359 .094 |
|
O3 .992 .437 .742 .104 |
|
O4 .489 -.430 .243 .099 |
|
O5 .797 .533 .867 .101 |
|
O6 .296 -.521 .366 .109 |
|
O7 .642 .528 0 .119 |
|
O8 .148 -.515 .5 .115 |
|
O9 .268 .592 0 .098 |
|
O10 .772 -.586 .5 .116 |
|
O11 .980 .322 0 .073 |
|
O12 .480 -.321 .5 .068 |
|
O13 .422 .328 .888 .100 |
|
O14 .930 -.330 .387 .064 |
|
O15 .926 .794 0 .100 |
|
O16 .413 -.792 .5 .120 |
|
O17 .494 .797 .893 .100 |
|
O18 .999 -.799 .389 .119 |
|
Wat1 .795 .100 .812 .26 |
|
H1 .795 .100 .812 .2 .26 |
|
Wat2 .285 -.109 .317 .20 |
|
H2 .285 -.109 .317 .2 .20 |
|
Wat3 .660 .064 0 .10 |
|
H3 .660 .064 0 .2 .10 |
|
Wat4 .178 -.064 .5 .10 |
|
H4 .178 -.064 .5 .2 .10 |
|
Wat5 .168 .044 .816 .28 |
|
H5 .168 .044 .816 .2 .28 |
|
Wat6 .688 -.046 .322 .23 |
|
H6 .688 -.046 .322 .2 .23 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mahnertite |
|
Pushcharovsky D Y, Zubkova N V, Teat S J, Maclean E J, Sarp H |
| |
European Journal of Mineralogy 16 (2004) 687-692 |
|
Crystal structure of mahnertite |
|
_database_code_amcsd 0007079 |
|
10.037 10.037 23.739 90 90 90 I4/mmm |
|
atom x y z occ Uiso |
|
Na .5 0 .3700 .88 .025 |
|
Ca .5 0 .3700 .12 .025 |
|
Cu1 .5 .2707 .28092 .0164 |
|
Cu2 0 0 .3783 .0201 |
|
Cu3 .184 .184 .4556 .125 .047 |
|
As .20754 .20754 .32286 .0143 |
|
O1 .3704 .1708 .3235 .023 |
|
O2 .1400 .1400 .2634 .015 |
|
O3 .1370 .1370 .3794 .022 |
|
Wat1 .340 0 .4443 .16 |
|
Wat2 .5 .31 .451 .25 .17 |
|
Wat3 .5 .23 .441 .25 .15 |
|
Wat4 .626 .305 .449 .125 .09 |
|
Cl5 .5 .5 .3433 .026 |
|
Cl6 0 0 .5 .5 .028 |
|
Wat6 0 0 .5 .5 .028 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Biraite-(Ce) |
| |
Konev A, Pasero M, Pushcharovsky D, Merlino S, Kashaev A, Suvorova L, |
|
Ushchapovskaya Z, Nartova N, Lebedeva Y, Chukanov N |
| |
European Journal of Mineralogy 17 (2005) 715-721 |
|
Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia |
|
with a novel structure type |
|
Locality: Biraia deposit, Irkutsk district, Siberia, Russia |
|
_database_code_amcsd 0007129 |
|
6.505 6.744 18.561 90 108.75 90 P2_1/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) |
|
Ce1 .32745 .28119 .23623 .50 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
La1 .32745 .28119 .23623 .28 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Nd1 .32745 .28119 .23623 .12 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Pr1 .32745 .28119 .23623 .04 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Sm1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ca1 .32745 .28119 .23623 .03 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Na1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ce2 .88569 .86796 .07651 .50 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
La2 .88569 .86796 .07651 .28 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Nd2 .88569 .86796 .07651 .12 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Pr2 .88569 .86796 .07651 .04 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Sm2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Ca2 .88569 .86796 .07651 .03 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Na2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
FeM1 .43356 .5055 .07776 .670 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MnM1 .43356 .5055 .07776 .11 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
TiM1 .43356 .5055 .07776 .01 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MgM1 .43356 .5055 .07776 .210 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
C .4041 .9858 .0996 .0128 .010 .014 .015 .0024 .0041 .0012 |
|
Si1 .9237 .3573 .0726 .0101 .0113 .0095 .0093 .0004 .0034 .0001 |
|
Si2 .8056 .2869 .2186 .0088 .0075 .0094 .0096 -.0005 .0031 .0001 |
|
O1 .4221 .1286 .0566 .98 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
F1 .4221 .1286 .0566 .02 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
O2 .2683 -.0092 .1372 .98 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
F2 .2683 -.0092 .1372 .02 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
O3 .5324 .8306 .1091 .98 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
F3 .5324 .8306 .1091 .02 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
O4 .9131 .1870 .0112 .98 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
F4 .9131 .1870 .0112 .02 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
O5 .1538 .4699 .1064 .98 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
F5 .1538 .4699 .1064 .02 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
O6 .7266 .5163 .0425 .98 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
F6 .7266 .5163 .0425 .02 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
O7 .8960 .2275 .1464 .98 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
F7 .8960 .2275 .1464 .02 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
O8 .6591 .1164 .2365 .98 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
F8 .6591 .1164 .2365 .02 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
O9 .0266 .3266 .2874 .98 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
F9 .0266 .3266 .2874 .02 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
O10 .6369 .4708 .1914 .98 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
F10 .6369 .4708 .1914 .02 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorcalciobritholite |
| |
Pekov I V, Pasero M, Yaskovskaya A N, Chukanov N V, Pushcharovsky D Y, |
|
Merlino S, Zubkova N V, Kononkova N N, Men'shikov Y P, Zadov A E |
| |
European Journal of Mineralogy 19 (2007) 95-103 |
|
Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and |
|
crystal chemistry |
|
Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia |
|
_database_code_amcsd 0007198 |
|
9.580 9.580 6.985 90 90 120 P6_3/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) |
|
Ca1 1/3 2/3 .0006 .654 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Ce1 1/3 2/3 .0006 .161 .0311 .0367 .0367 .0200 .0183 0 0 |
|
La1 1/3 2/3 .0006 .094 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Nd1 1/3 2/3 .0006 .045 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Y1 1/3 2/3 .0006 .031 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Pr1 1/3 2/3 .0006 .014 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Ca2 .2487 .0107 .25 .566 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Ce2 .2487 .0107 .25 .203 .0330 .0366 .0310 .0258 .0126 0 0 |
|
La2 .2487 .0107 .25 .118 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Nd2 .2487 .0107 .25 .057 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Y2 .2487 .0107 .25 .039 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Pr2 .2487 .0107 .25 .017 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Si .3718 .4001 .25 .650 .0261 .028 .031 .022 .017 0 0 |
|
P .3718 .4001 .25 .350 .0261 .028 .031 .022 .017 0 0 |
|
O1 .4677 .5906 .25 .043 .037 .032 .056 .014 0 0 |
|
O2 .4866 .3255 .25 .037 .036 .057 .030 .032 0 0 |
|
O3 .2563 .3432 .4310 .054 .048 .098 .034 .049 .013 .028 |
|
F 0 0 .25 .092 .058 .058 .159 .029 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hilairite-(Rb) |
| |
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
|
Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
|
Note: sample was synthesized by cation exchange at 150 C |
|
_database_code_amcsd 0007281 |
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10.477 10.477 15.377 90 90 120 R3 |
|
atom x y z occ Uiso |
|
Rb1 .0 .0 -.06577 .03552 |
|
Rb2 .3340 .89493 .10497 .870 .0378 |
|
Na2 .3340 .89493 .10497 .130 .0378 |
|
Zr1 .0 .0 .19048 .01237 |
|
Zr2 1/3 2/3 .33918 .01029 |
|
Si1 .3408 .23028 .10909 .0193 |
|
Si2 .05776 .7287 .27305 .0215 |
|
O1 .1878 .0765 .1134 .0253 |
|
O2 .2094 .7260 .2641 .0253 |
|
O3 .1112 .1867 .2674 .0249 |
|
O4 .4019 .8530 .4176 .0149 |
|
O5 .9380 .6203 .2036 .0277 |
|
O6 .3239 .3386 .0411 .0305 |
|
Wat .733 .741 -.049 .23 .051 |
|
|
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| |
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Hilairite-(Sr) |
| |
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
|
Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
|
Note: sample was synthesized by cation exchange at 150 C |
|
_database_code_amcsd 0007282 |
|
20.964 20.964 7.836 90 90 120 R3 |
|
atom x y z occ Uiso |
|
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 |
|
Zr2 .50235 .49769 .04918 .0175 |
|
Si1 .6711 .6300 -.0898 .0482 |
|
Si2 .5401 .3658 .1876 .0260 |
|
Si3 .3295 .4565 .1786 .0413 |
|
Si4 .3848 .5432 -.1484 .0188 |
|
O1 .5987 .5565 -.091 .045 |
|
O2 .5396 .5821 .215 .032 |
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O3 .6826 .6689 .102 .065 |
|
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 |
|
O8 .2533 .3865 .193 .041 |
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O9 .3254 .4963 -.008 .044 |
|
O10 .4035 .4451 .1740 .029 |
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O11 .4592 .5475 -.120 .056 |
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O12 .3921 .6256 -.155 .038 |
|
Wat1 .832 .7748 .227 .64 .074 |
|
Wat2 .6872 .5256 .241 .33 .027 |
|
Wat3 .4220 .6655 .178 .73 .076 |
|
Wat4 .915 .673 .161 .50 .066 |
|
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| Download AMC data (View Text File)
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| |
|
Hilairite-(Ba) |
| |
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
|
Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
|
Note: sample was synthesized by cation exchange at 150 C |
|
_database_code_amcsd 0007283 |
|
20.976 20.976 7.857 90 90 120 R3 |
|
atom x y z occ Uiso |
|
Ba1 .82788 .65729 .21606 .981 .0363 |
|
Ba2 1/3 2/3 .22359 .888 .0415 |
|
Zr1 0 0 .04324 .0103 |
|
Zr2 .50167 .49847 .05010 .01048 |
|
Si1 .67151 .62881 -.0854 .0182 |
|
Si2 .53776 .36444 .1893 .0186 |
|
Si3 .32781 .4561 .1793 .0299 |
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Si4 .38388 .54418 -.1438 .0193 |
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O1 .5992 .5513 -.0868 .0255 |
|
O2 .5464 .5834 .2222 .028 |
|
O3 .6837 .6671 .0998 .035 |
|
O4 .6158 .3712 .2147 .028 |
|
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 |
|
Wat2 .6972 .5293 .2186 .045 |
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Wat3 .4609 .6694 .2128 .058 |
|
Wat4 .9668 .6748 .1892 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hilairite-(Ca) |
| |
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
|
Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
|
Note: sample was synthesized by cation exchange at 150 C |
|
_database_code_amcsd 0007284 |
|
10.456 10.456 7.995 90 90 120 R3 |
|
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 |
|
Wat .0112 .2011 .5025 .0644 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hilairite-(Pb) |
| |
Zubkova N V, Kolitsch U, Pekov I V, Turchkova A G, Vigasina M F, Pushcharovsky D Y, Tillmanns E |
| |
European Journal of Mineralogy 21 (2009) 495-506 |
|
Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite |
|
Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia |
|
Note: sample was synthesized by cation exchange at 150 C |
|
_database_code_amcsd 0007285 |
|
10.477 10.477 7.994 90 90 120 R3 |
|
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 |
|
Wat .0127 .2422 .5170 .95 .046 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Balliranoite |
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Chukanov N V, Zubkova N V, Pekov I V, Olysych L V, Bonaccorsi E, |
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Pushcharovsky D Y |
| |
European Journal of Mineralogy 22 (2010) 113-119 |
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Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral |
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from Monte Somma - Vesuvio volcanic complex, Italy |
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Locality: Monte Somma, Italy |
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_database_code_amcsd 0007335 |
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12.695 12.695 5.325 90 90 120 P6_3 |
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atom x y z occ Uiso |
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NaM .1181 .2424 .2786 .581 .0560 |
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CaM .1181 .2424 .2786 .060 .0560 |
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KM .1181 .2424 .2786 .089 .0560 |
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NaM’ .1537 .3136 .2744 .215 .073 |
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CaM’ .1537 .3136 .2744 .022 .073 |
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KM’ .1537 .3136 .2744 .033 .073 |
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Ca 2/3 1/3 .21614 .0230 |
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Si .32774 .40839 .7500 .00996 |
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Al .06985 .40885 .75030 .01012 |
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O(1) .21314 .42747 .7131 .0250 |
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O(2) .09954 .55634 .7423 .0193 |
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O(3) .00565 .32843 .0267 .0232 |
|
O(4) .31568 .33819 .0107 .0217 |
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Cl 1/3 2/3 .2176 .58 .082 |
|
Cl’ .311 .6326 .222 .14 .062 |
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S 0 0 .247 .15 .0416 |
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O(S1) 0 0 .952 .15 .046 |
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O(S2) .064 .119 .387 .15 .121 |
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C(1) 0 0 .1496 .30 .048 |
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O(C1) .1152 .0606 .1496 .30 .0504 |
|
C(2) 0 0 .333 .15 .011 |
|
O(C2) .1152 .059 .333 .15 .106 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Shlykovite |
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Zubkova N V, Filinchuk Y E, Pekov I V, Pushcharovsky D Y, Gobechiya E R |
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European Journal of Mineralogy 22 (2010) 547-555 |
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Crystal structures of shlykovite and cryptophyllite: comparative crystal |
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chemistry of phyllosilicate minerals of the mountainite family |
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Locality: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia |
|
_database_code_amcsd 0017556 |
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6.4897 6.9969 26.714 90 94.597 90 P2_1/c |
|
atom x y z Uiso |
|
K -.2533 .8663 .37057 .0391 |
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Ca .0189 .8392 .24336 .0210 |
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Si1 .0011 .8447 .08283 .0190 |
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Si2 .2318 .0640 .35444 .0205 |
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Si3 .4083 .8447 .15613 .0215 |
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Si4 .2350 .6265 .35640 .0196 |
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O1 -.0897 .0496 .1005 .043 |
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O2 .5482 .6525 .1562 .0317 |
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O3 .1468 .1689 .4040 .0285 |
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OH4 -.0340 .1558 -.0233 .0332 |
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O5 .2810 .8491 .3730 .0230 |
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O6 .1256 .6019 .3012 .0259 |
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O7 .3315 .8941 .2101 .0277 |
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O8 .0649 .0753 .3073 .0297 |
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O9 .2270 .8010 .1136 .039 |
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O10 .5390 .0191 .1335 .0273 |
|
Wat1 -.3252 .7724 .2731 .042 |
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Wat2 -.265 .601 -.0265 .116 |
|
Wat3 .3528 .6823 -.0143 .039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cryptophyllite |
| |
Zubkova N V, Filinchuk Y E, Pekov I V, Pushcharovsky D Y, Gobechiya E R |
| |
European Journal of Mineralogy 22 (2010) 547-555 |
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Crystal structures of shlykovite and cryptophyllite: comparative crystal |
|
chemistry of phyllosilicate minerals of the mountainite family |
|
Locality: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia |
|
_database_code_amcsd 0017557 |
|
6.4934 6.9919 32.087 90 94.680 90 P2_1/n |
|
atom x y z Uiso |
|
K1 -.0773 .3757 .14911 .0267 |
|
K2 .4642 .3655 .05485 .0458 |
|
Ca .2275 .8469 .24478 .0101 |
|
Si1 .4166 .1350 .16108 .0097 |
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Si2 .4156 .5747 .16335 .0091 |
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Si3 -.2152 .8568 .17356 .0101 |
|
Si4 .1402 .8539 .11015 .0102 |
|
O1 .2820 .5798 .20226 .0134 |
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O2 .4557 .3556 .14722 .0141 |
|
O3 .3399 .1097 .20594 .0171 |
|
O4 .0613 .8522 .06211 .0168 |
|
O5 .3051 .6837 .12212 .0192 |
|
O6 -.1077 .9049 .21850 .0141 |
|
O7 .6464 .6611 .17274 .0202 |
|
O8 -.0513 .8194 .13918 .0221 |
|
O9 .2518 .0558 .12330 .0206 |
|
O10 -.3636 .0301 .15437 .0140 |
|
Wat1 .5913 .7909 .26910 .0203 |
|
Wat2 -.3397 .007 .0629 .064 |
|
Wat3 .4071 .7198 .0228 .047 |
|
Wat4 .1115 .2050 .0224 .035 |
|
Wat5 -.1236 .4715 .0653 .036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stronadelphite |
| |
Pekov I V, Britvin S N, Zubkova N V, Pushcharovsky D Y, Pasero M, Merlino S |
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European Journal of Mineralogy 22 (2010) 869-874 |
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Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral |
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Locality: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr, |
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in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0017880 |
|
9.845 9.845 7.383 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
SrM1 1/3 2/3 -.0004 .9 .0206 |
|
CaM1 1/3 2/3 -.0004 .1 .0206 |
|
SrM2 .2393 -.0147 .25 .0208 |
|
P .4005 .3689 .25 .0165 |
|
O1 .3326 .4826 .25 .018 |
|
O2 .5804 .4640 .25 .028 |
|
O3 .3455 .2637 .0797 .028 |
|
F 0 0 .25 .074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pseudolyonsite |
| |
Zelenski M E, Zubkova N V, Pekov I V, Boldyreva M M, Pushcharovsky D Y, Nekrasov A N |
| |
European Journal of Mineralogy 23 (2011) 475-481 |
|
Pseudolyonsite, Cu3(VO4)2, a new mineral species |
|
from the Tolbachik volcano, Kamchatka Peninsula, Russia |
|
Locality: Tolbachik volcano, Kamchatka Peninsula, Russia |
|
_database_code_amcsd 0018365 |
|
6.2695 8.0195 6.3620 90 111.96 90 P2_1/c |
|
atom x y z occ Uiso |
|
V .24993 .61919 .14155 .97 .00670 |
|
Mo .24993 .61919 .14155 .02 .00670 |
|
Cu1 0 0 0 .88 .0115 |
|
Zn1 0 0 0 .12 .0115 |
|
Cu2 .26769 .24606 .39505 .88 .01039 |
|
Zn2 .26769 .24606 .39505 .12 .01039 |
|
O1 .0137 .7611 .0335 .0097 |
|
O2 .2309 .4935 .3565 .0109 |
|
O3 .5030 .7266 .2401 .0097 |
|
O4 .7534 .5004 .0738 .0107 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Langbanshyttanite |
| |
Chukanov N V, Pekov I V, Johsson E, Zubkova N V, Filinchuk Y E, |
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Belakovskiy D I, Pushcharovsky D Y |
| |
European Journal of Mineralogy 23 (2011) 675-681 |
|
Langbanshyttanite, a new low-temperature arsenate mineral with a |
|
novel structure from Langban, Sweden |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0018642 |
|
5.0528 5.7671 14.617 85.656 82.029 88.728 P-1 |
|
atom x y z Uiso |
|
Pb .0769 .2864 .3031 .024 |
|
Mn -.018 .246 .5543 .010 |
|
Mg 0 .5 0 .005 |
|
As .415 .211 .7167 .006 |
|
O1 .174 .346 .668 .010 |
|
O2 .699 .088 .675 .010 |
|
OH3 .225 .410 .432 .010 |
|
OH4 .190 -.085 .564 .010 |
|
Wat5 .114 .724 .096 .01 |
|
Wat6 .28 .230 .034 .02 |
|
Wat7 .30 .661 -.099 .05 |
|
O8 .206 -.004 .787 .010 |
|
O9 .56 .406 .789 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesium astrophyllite |
|
Shi N, Ma Z, Li G, Yamnova M A, Pushcharovsky D Y |
 |
Acta Crystallographica B54 (1998) 109-114 |
|
Structure refinement of monoclinic astrophyllite |
|
Locality: Khibina alkaline massif, Russia |
|
_database_code_amcsd 0009901 |
|
10.370 23.129 5.322 90 99.55 90 A2 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KNa1 0 .0047 0 .05 .0155 .0173 .0188 .0107 0 .0033 0 |
|
Na1 0 .0047 0 .95 .0155 .0173 .0188 .0107 0 .0033 0 |
|
Na2 .5 .0048 0 .95 .0195 .0136 .0192 .0244 0 -.0007 0 |
|
KNa2 .5 .0048 0 .05 .0195 .0136 .0192 .0244 0 -.0007 0 |
|
K1 .5 -.13404 .5 .9 .0319 .0281 .0278 .0375 0 -.0019 0 |
|
NaK1 .5 -.13404 .5 .1 .0319 .0281 .0278 .0375 0 -.0019 0 |
|
K2 .5 .14335 .5 .0293 .0237 .0305 .0372 0 .0152 0 |
|
Fe1 0 -.07000 .5 .9 .0197 .0212 .0185 .0203 0 .0063 0 |
|
MgFe1 0 -.07000 .5 .1 .0197 .0212 .0185 .0203 0 .0063 0 |
|
Fe2 0 .07849 .5 .95 .0097 .0125 .0103 .0048 0 -.0029 0 |
|
MgFe2 0 .07849 .5 .05 .0097 .0125 .0103 .0048 0 -.0029 0 |
|
Fe3 0 -.13960 0 .7 .0172 .0191 .0186 .0122 0 -.0026 0 |
|
MgFe3 0 -.13960 0 .3 .0172 .0191 .0186 .0122 0 -.0026 0 |
|
Fe4 0 .14983 0 .55 .0103 .0104 .0096 .0134 0 .0092 0 |
|
MgFe4 0 .14983 0 .45 .0103 .0104 .0096 .0134 0 .0092 0 |
|
Mg1 0 -.20778 .5 .6 .0122 .0142 .0097 .0135 0 .0045 0 |
|
FeMg1 0 -.20778 .5 .4 .0122 .0142 .0097 .0135 0 .0045 0 |
|
Mg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
|
FeMg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
|
Ti .28802 .00415 .43713 .0110 .0120 .0113 .0098 -.0008 .0024 -.0004 |
|
Si1 .2641 -.21274 -.0782 .0116 .0120 .0149 .0076 -.0005 .0012 -.0024 |
|
Si2 .2649 .22238 -.0797 .0114 .0133 .0067 .0151 .0011 .0053 .0005 |
|
Si3 .2710 -.08085 -.0704 .0132 .0140 .0084 .0164 -.0020 -.0001 .0015 |
|
Si4 -.2713 .09007 .0790 .0113 .0096 .0167 .0089 .0002 .0054 -.0015 |
|
O1 .1168 .0027 .4037 .0158 .0112 .0173 .0174 -.0094 -.0017 .0083 |
|
O2 .1146 -.0776 -.1285 .0138 .0172 .0126 .0159 .0031 .0155 .0002 |
|
O3 -.1142 .0860 .1447 .0179 .0083 .0212 .0201 .0028 -.0095 -.0028 |
|
O4 .3419 -.0525 .7037 .0182 .0116 .0179 .0240 -.0011 -.0004 -.0018 |
|
O5 .3366 .0625 .6981 .0216 .0180 .0340 .0165 -.0153 .0140 -.0050 |
|
O6 .3293 -.0542 .1987 .0194 .0145 .0270 .0213 -.0013 .0166 .011 |
|
O7 .3296 .0605 .1946 .0314 .0281 .0377 .0226 .0195 -.0125 .0017 |
|
O8 .3200 -.1477 -.0420 .0177 .0083 .0177 .0271 -.0107 .0032 -.0024 |
|
O9 -.3272 .1587 .0671 .0191 .0225 .0057 .0280 .0082 .0010 .0027 |
|
O10 .1041 -.2147 -.1266 .0177 .0246 .0175 .0089 .0004 -.0031 -.0014 |
|
O11 -.1097 .2207 .1314 .0093 .0016 .0076 .0215 -.0012 .0071 .0001 |
|
O12 .3235 -.2465 .6924 .0162 .0122 .0231 .0148 .0016 .0064 .0000 |
|
O13 .3205 -.2496 .1801 .0168 .0125 .0218 .0143 .0105 -.0026 .0018 |
|
O14 .1058 -.1418 .3643 .0100 .0118 .0043 .0134 -.0103 .0006 -.0021 |
|
O15 -.1010 .1535 .6323 .0225 .0131 .0392 .0162 .0073 .0054 .0032 |
|
H1 -.1536 .150 .63 .067 |
|
H2 .169 -.116 .367 .032 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioastrophyllite |
|
Shi N, Ma Z, Li G, Yamnova M A, Pushcharovsky D Y |
|
Acta Crystallographica B54 (1998) 109-114 |
|
Structure refinement of monoclinic astrophyllite |
|
Locality: Khibina alkaline massif, Russia |
|
_database_code_amcsd 0009902 |
|
10.370 23.129 5.322 90 99.55 90 A2 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KNa1 0 .0047 0 .05 .0155 .0173 .0188 .0107 0 .0033 0 |
|
Na1 0 .0047 0 .95 .0155 .0173 .0188 .0107 0 .0033 0 |
|
Na2 .5 .0048 0 .95 .0195 .0136 .0192 .0244 0 -.0007 0 |
|
KNa2 .5 .0048 0 .05 .0195 .0136 .0192 .0244 0 -.0007 0 |
|
K1 .5 -.13404 .5 .9 .0319 .0281 .0278 .0375 0 -.0019 0 |
|
NaK1 .5 -.13404 .5 .1 .0319 .0281 .0278 .0375 0 -.0019 0 |
|
K2 .5 .14335 .5 .0293 .0237 .0305 .0372 0 .0152 0 |
|
Fe1 0 -.07000 .5 .9 .0197 .0212 .0185 .0203 0 .0063 0 |
|
MgFe1 0 -.07000 .5 .1 .0197 .0212 .0185 .0203 0 .0063 0 |
|
Fe2 0 .07849 .5 .95 .0097 .0125 .0103 .0048 0 -.0029 0 |
|
MgFe2 0 .07849 .5 .05 .0097 .0125 .0103 .0048 0 -.0029 0 |
|
Fe3 0 -.13960 0 .7 .0172 .0191 .0186 .0122 0 -.0026 0 |
|
MgFe3 0 -.13960 0 .3 .0172 .0191 .0186 .0122 0 -.0026 0 |
|
Fe4 0 .14983 0 .55 .0103 .0104 .0096 .0134 0 .0092 0 |
|
MgFe4 0 .14983 0 .45 .0103 .0104 .0096 .0134 0 .0092 0 |
|
Mg1 0 -.20778 .5 .6 .0122 .0142 .0097 .0135 0 .0045 0 |
|
FeMg1 0 -.20778 .5 .4 .0122 .0142 .0097 .0135 0 .0045 0 |
|
Mg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
|
FeMg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
|
Ti .28802 .00415 .43713 .0110 .0120 .0113 .0098 -.0008 .0024 -.0004 |
|
Si1 .2641 -.21274 -.0782 .0116 .0120 .0149 .0076 -.0005 .0012 -.0024 |
|
Si2 .2649 .22238 -.0797 .0114 .0133 .0067 .0151 .0011 .0053 .0005 |
|
Si3 .2710 -.08085 -.0704 .0132 .0140 .0084 .0164 -.0020 -.0001 .0015 |
|
Si4 -.2713 .09007 .0790 .0113 .0096 .0167 .0089 .0002 .0054 -.0015 |
|
O1 .1168 .0027 .4037 .0158 .0112 .0173 .0174 -.0094 -.0017 .0083 |
|
O2 .1146 -.0776 -.1285 .0138 .0172 .0126 .0159 .0031 .0155 .0002 |
|
O3 -.1142 .0860 .1447 .0179 .0083 .0212 .0201 .0028 -.0095 -.0028 |
|
O4 .3419 -.0525 .7037 .0182 .0116 .0179 .0240 -.0011 -.0004 -.0018 |
|
O5 .3366 .0625 .6981 .0216 .0180 .0340 .0165 -.0153 .0140 -.0050 |
|
O6 .3293 -.0542 .1987 .0194 .0145 .0270 .0213 -.0013 .0166 .011 |
|
O7 .3296 .0605 .1946 .0314 .0281 .0377 .0226 .0195 -.0125 .0017 |
|
O8 .3200 -.1477 -.0420 .0177 .0083 .0177 .0271 -.0107 .0032 -.0024 |
|
O9 -.3272 .1587 .0671 .0191 .0225 .0057 .0280 .0082 .0010 .0027 |
|
O10 .1041 -.2147 -.1266 .0177 .0246 .0175 .0089 .0004 -.0031 -.0014 |
|
O11 -.1097 .2207 .1314 .0093 .0016 .0076 .0215 -.0012 .0071 .0001 |
|
O12 .3235 -.2465 .6924 .0162 .0122 .0231 .0148 .0016 .0064 .0000 |
|
O13 .3205 -.2496 .1801 .0168 .0125 .0218 .0143 .0105 -.0026 .0018 |
|
O14 .1058 -.1418 .3643 .0100 .0118 .0043 .0134 -.0103 .0006 -.0021 |
|
O15 -.1010 .1535 .6323 .0225 .0131 .0392 .0162 .0073 .0054 .0032 |
|
H1 -.1536 .150 .63 .067 |
|
H2 .169 -.116 .367 .032 |
|
|
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|
| |
|
Podlesnoite |
| |
Zubkova N V, Pushcharovsky D Y, Pekov I V, Rabadanov M K |
| |
Zeitschrift fur Kristallographie 222 (2007) 474-476 |
|
The crystal structure of podlesnoite, BaCa2(CO3)2F2 |
|
Locality: Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0011129 |
|
12.501 5.846 9.443 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ba 0 .00127 .75 .01131 |
|
Ca .14634 .5 .5 .00889 |
|
C .2468 .3442 .25 .0105 |
|
O1 .29746 .3403 .36728 .0144 |
|
O2 .14362 .3656 .25 .0148 |
|
F 0 .2642 .5059 .0145 |
|
|
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|
| |
|
Mountainite |
|
Zubkova N V, Pekov I V, Pushcharovsky D Y, Chukanov N V |
| |
Zeitschrift fur Kristallographie 224 (2009) 389-396 |
|
The crystal structure and refined formula of mountainite, KNa2Ca2[Si8O19(OH)]*6H2O |
|
Locality: Yubileinaya pegmatite, Lovozero alkaline complex, Kola Peninsula, Russia |
|
_database_code_amcsd 0011131 |
|
13.704 6.5760 13.751 90 105.752 90 P2/c |
|
atom x y z occ Uiso |
|
K 0 .2758 .25 .0292 |
|
Na1 .4500 .8466 .5817 .5 .043 |
|
Na2 .4317 .7075 .4412 .5 .030 |
|
Ca .01912 .2444 .56031 .0129 |
|
Si1 .33509 .2235 .64951 .0117 |
|
Si2 .2193 .4690 .7635 .0109 |
|
Si3 .2042 .1638 .1284 .0118 |
|
Si4 .2096 .5042 .9833 .0120 |
|
O1 .7958 .2940 .2696 .022 |
|
O2 .1192 .3437 .7139 .018 |
|
O3 .3196 .3818 .7349 .018 |
|
O4 .9034 .0768 .4265 .0225 |
|
O5 .2724 .2975 .5383 .020 |
|
O6 .2543 .4703 .8860 .016 |
|
O7 .7495 .3064 .4441 .017 |
|
O8 .2930 .0055 .6734 .021 |
|
O9 .4534 .2051 .6583 .5 .022 |
|
OH9 .4534 .2051 .6583 .5 .022 |
|
O10 .0909 .4634 .4603 .018 |
|
Wat11 .9094 .0837 .6512 .023 |
|
Wat12 .5 .685 .75 .075 |
|
Wat13 .4747 .573 .4691 .5 .038 |
|
Wat14 .3600 .050 .3973 .5 .042 |
|
Wat15 .5488 .938 .5680 .5 .055 |
|
|
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|
| |
|
Fluoro-edenite |
| |
Rastsvetaeva R K, Pushcharovsky D Y, Borutskii B E |
| |
Crystallography Reports 40 (1995) 27-30 |
|
Crystal structure of K,F-edenite from Khibini |
|
Locality: Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia |
|
_database_code_amcsd 0012347 |
|
9.911 18.030 5.279 90 104.94 90 C2/m |
|
atom x y z occ Biso |
|
KAm .5 0 0 .2 3.0 |
|
NaAm .5 0 0 .3 3.0 |
|
KA2 .4576 0 .903 .065 2.7 |
|
NaA2 .4576 0 .903 .185 2.7 |
|
CaM4 .5 .222 .5 .72 .95 |
|
SrM4 .5 .222 .5 .005 .95 |
|
NaM4 .5 .222 .5 .275 .95 |
|
MgM1 0 .089 .5 .91 .71 |
|
Fe3+M1 0 .089 .5 .09 .71 |
|
MgM2 0 .1776 0 .515 .68 |
|
Fe2+M2 0 .1776 0 .28 .68 |
|
CaM2 0 .1776 0 .105 .68 |
|
Mn2+M2 0 .1776 0 .02 .68 |
|
Ti4+M2 0 .1776 0 .08 .68 |
|
MgM3 0 0 0 .89 .84 |
|
Fe3+M3 0 0 0 .11 .84 |
|
SiT1 .2797 .0845 .3011 .735 .59 |
|
AlT1 .2797 .0845 .3011 .265 .59 |
|
SiT2 .2883 .1715 .8071 .54 |
|
O1 .1103 .0851 .2197 .70 |
|
O2 .1194 .1702 .7261 .77 |
|
F3 .1038 0 .7143 .98 |
|
O4 .3632 .2488 .7921 .98 |
|
O5 .3474 .1344 .1026 1.12 |
|
O6 .3448 .117 .5997 .99 |
|
O7 .3408 0 .2912 1.12 |
|
|
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|
| |
|
Quintinite |
| |
Arakcheeva A V, Pushcharovsky D Y, Rastsvetaeva R K, Atencio D, Lubman G U |
| |
Crystallography Reports 41 (1996) 972-981 |
|
Crystal structure and comparative crystal chemistry of Al2Mg4(OH)12(CO3)*3H2O, |
|
a new mineral from the hydrotalcite-manasseite group |
|
Note polytype 2H |
|
Locality: synthetic |
|
_database_code_amcsd 0012351 |
|
5.283 5.283 15.150 90 90 120 P-62m |
|
atom x y z occ Biso |
|
Mg 1/3 2/3 .243 1.8 |
|
Al 0 0 .259 2.6 |
|
O1 0 .651 .325 2.9 |
|
C 0 0 .021 .5 6.3 |
|
O2 .318 0 .190 2.7 |
|
O3 .244 0 0 4.3 |
|
Wat .598 0 .5 6.5 |
|
H1 .35 .35 .398 3.0 |
|
H2 0 .36 .125 3.0 |
|
|
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|
| |
|
Pyromorphite |
|
Barinova A V, Bonin M, Pushcharovsky D Y, Rastsvetaeva R K, Schenk K, |
|
Dimitrova O V |
| |
Crystallography Reports 43 (1998) 189-192 |
|
Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH) |
|
Locality: synthetic |
|
Note: y(O3) corrected |
|
_database_code_amcsd 0012355 |
|
9.774 9.774 7.291 90 90 120 P6_3/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 1/3 2/3 .4973 .95 .0038 .0038 .0029 .0019 0 0 |
|
Pb2 .2364 .2319 .25 1.37 .0029 .0034 .0112 .0038 0 0 |
|
P .4045 .0231 .25 .4 .0015 .0007 .0021 .0009 0 0 |
|
O1 .3256 .8415 .25 .5 .0028 .0017 .0005 .0018 0 0 |
|
O2 .5860 .1005 .25 1.1 .0017 .0042 .0073 .0025 0 0 |
|
O3 .3541 .0813 .08132 1.2 .0045 .0031 .0059 .0038 -.0068 -.0016 |
|
OH 0 0 0 4.3 .0058 .0058 .0446 .0029 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Raite |
|
Pushcharovsky D Y, Pekov I V, Pluth J J, Smith J V, Ferraris G, Vinogradova S A, |
|
Arakcheeva A V, Soboleva S V, Semenov E I |
| |
Crystallography Reports 44 (1999) 565-574 |
|
Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif: |
|
Crystal structures and mineralogical geochemistry |
|
Locality: Yubileinaya pegmatite, Karnasurt Mountain, Lovozero Massif, |
|
Kola Peninsula, Russia |
|
_database_code_amcsd 0012360 |
|
15.1 17.60 5.290 90 100.5 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 .5 .2997 0 .019 |
|
Na2 .5 0 0 .040 |
|
Mn1 0 0 0 .013 |
|
Mn2 .5 .40289 .5 .017 |
|
Ti .5 .204 .5 .125 .025 |
|
Si1 .3121 .41406 .0569 .010 |
|
Si2 .3052 .32828 .5497 .011 |
|
O1 .4198 .4133 .118 .016 |
|
O2 .0882 .1816 .408 .021 |
|
O3 .25 .25 .5 .028 |
|
OH4 .0678 0 .361 .020 |
|
O5 .2718 .5 .006 .012 |
|
O6 .2295 .1328 .204 .013 |
|
O7 .2686 .3802 .294 .014 |
|
Wat8 .4018 0 .304 .042 |
|
Wat9 .0720 .3992 .271 .054 |
|
Wat10 .4176 .2096 .201 .062 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Manganonordite-(Ce) |
| |
Pushcharovsky D Y, Pekov I V, Pluth J J, Smith J, Ferraris G, Vinogradova S A, |
|
Arakcheeva A V, Soboleva S V, Semenov E I |
| |
Crystallography Reports 44 (1999) 565-574 |
|
Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif: |
|
Crystal structures and mineralogical geochemistry |
|
Locality: Lovozero Massif |
|
_database_code_amcsd 0012361 |
|
14.44 5.187 19.82 90 90 90 Pcca |
|
atom x y z occ Biso |
|
Na1 0 0 0 .983 .82 |
|
Ca1 0 0 0 .017 .82 |
|
Na2 .0697 .0093 .1714 .983 1.10 |
|
Ca2 .0697 .0093 .1714 .017 1.10 |
|
Sr .25 0 .02227 .981 .173 |
|
Ba .25 0 .02227 .019 .173 |
|
Ce .25 0 .31981 .52 .098 |
|
La .25 0 .31981 .43 .098 |
|
Nd .25 0 .31981 .05 .098 |
|
Mn .25 .5 .17012 .42 .18 |
|
Zn .25 .5 .17012 .24 .18 |
|
Mg .25 .5 .17012 .1 .18 |
|
Fe .25 .5 .17012 .23 .18 |
|
Si1 .09814 .4616 .06430 .02 |
|
Si2 .10170 .5424 .27472 .01 |
|
Si3 .11141 .5459 .91870 .01 |
|
O1 .9948 .3374 .0819 .18 |
|
O2 .1703 .2990 .1085 .30 |
|
O3 .1179 .3567 -.0147 .17 |
|
O4 .1026 .7653 .0675 .40 |
|
O5 0 .6441 .25 .40 |
|
O6 .1758 .7154 .2340 .24 |
|
O7 .1170 .6503 .3533 .24 |
|
O8 .1151 .2404 .2720 .48 |
|
O9 .1853 .2299 .4181 .37 |
|
|
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|
| |
|
Ferronordite-(Ce) |
| |
Pushcharovsky D Y, Pekov I V, Pluth J J, Smith J, Ferraris G, Vinogradova S A, |
|
Arakcheeva A V, Soboleva S V, Semenov E I |
| |
Crystallography Reports 44 (1999) 565-574 |
|
Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif: |
|
Crystal structures and mineralogical geochemistry |
|
Locality: Lovozero Massif |
|
_database_code_amcsd 0012362 |
|
14.46 5.194 19.8740 90 90 90 Pcca |
|
atom x y z occ Biso |
|
Na1 0 0 0 .967 1.40 |
|
Ca1 0 0 0 .033 1.40 |
|
Na2 .0705 .0079 .1712 .967 1.55 |
|
Ca2 .0705 .0079 .1712 .033 1.55 |
|
Sr .25 0 .0226 .98 .87 |
|
Ba .25 0 .0226 .02 .87 |
|
Ce .25 0 .3199 .51 .57 |
|
La .25 0 .3199 .42 .57 |
|
Nd .25 0 .3199 .04 .57 |
|
Pr .25 0 .3199 .03 .57 |
|
Fe .25 .5 .1700 .42 .68 |
|
Mn .25 .5 .1700 .26 .68 |
|
Zn .25 .5 .1700 .22 .68 |
|
Mg .25 .5 .1700 .1 .68 |
|
Si1 .0983 .4623 .0643 .48 |
|
Si2 .1017 .5412 .2749 .48 |
|
Si3 .1116 .5456 -.0813 .48 |
|
O1 .9958 .3361 .0822 .74 |
|
O2 .1705 .2995 .1086 .91 |
|
O3 .1179 .3565 -.0147 .78 |
|
O4 .1024 .7672 .0674 .92 |
|
O5 0 .642 .25 .71 |
|
O6 .1768 .7139 .2338 .83 |
|
O7 .1171 .6500 .3534 .72 |
|
O8 .1157 .2395 .2720 1.07 |
|
O9 .1854 .2275 .4180 .95 |
|
|
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|
| |
|
Calciohilairite |
|
Pushcharovsky D Y, Pekov I V, Pasero M, Gobechiya E R, Merlino S, Zubkova N V |
| |
Crystallography Reports 47 (2002) 748-752 |
|
Crystal structure of cation-deficient calciohilairite and possible mechanisms of |
|
decationization in mixed-framework minerals |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012381 |
|
10.498 10.498 7.975 90 90 120 R32 |
|
atom x y z occ Uiso |
|
CaA1 0 0 .615 1/6 .096 |
|
NaA1 0 0 .615 1/6 .096 |
|
WatA2 0 .201 .5 2/3 .148 |
|
H3OA2 0 .201 .5 1/3 .148 |
|
Zr 0 0 0 .0161 |
|
Si .4141 .4141 .5 .0190 |
|
O1 .0951 .1860 .8488 .0255 |
|
O2 .6475 0 0 .038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ferri-magnesiokatophorite |
| |
Pushcharovsky D Y, Lebedeva Y S, Pekov I V, Ferraris G, Novakova A A, Ivaldi G |
| |
Crystallography Reports 48 (2003) 16-23 |
|
Crystal structure of magnesioferrikatophorite |
|
Locality: Turiy Cape, Kola Peninsula, Russia |
|
_database_code_amcsd 0012382 |
|
9.875 18.010 5.309 90 104.39 90 C2/m |
|
atom x y z occ Uiso |
|
NaAm .5 0 0 .56 .1004 |
|
KAm .5 0 0 .13 .1004 |
|
NaA2 .44870 0 .88028 .155 .0339 |
|
MgM1 0 .08874 .5 .705 .0087 |
|
FeM1 0 .08874 .5 .21 .0087 |
|
TiM1 0 .08874 .5 .085 .0087 |
|
FeM2 0 .18063 0 .655 .0096 |
|
MgM2 0 .18063 0 .345 .0096 |
|
MgM3 0 0 0 .60 .0070 |
|
FeM3 0 0 0 .37 .0070 |
|
MnM3 0 0 0 .02 .0070 |
|
NaM4 0 .27810 .5 .59 .0150 |
|
CaM4 0 .27810 .5 .41 .0150 |
|
Si1 .28009 .08562 .2968 .79 .0075 |
|
Al1 .28009 .08562 .2968 .21 .0075 |
|
Si2 .28894 .17158 .8049 .0068 |
|
O1 .1098 .0882 .2144 .0095 |
|
O2 .1194 .1711 .7313 .0106 |
|
OH3 .1084 0 .7108 .735 .0101 |
|
F3 .1084 0 .7108 .145 .0101 |
|
O3 .1084 0 .7108 .12 .0101 |
|
O4 .3640 .2495 .7948 .0124 |
|
O5 .3494 .1323 .0927 .0153 |
|
O6 .3427 .1176 .5932 .0137 |
|
O7 .3384 0 .2867 .0149 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Magnesio-ferri-katophorite |
| |
Pushcharovsky D Y, Lebedeva Y S, Pekov I V, Ferraris G, Novakova A A, Ivaldi G |
| |
Crystallography Reports 48 (2003) 16-23 |
|
Crystal structure of magnesioferrikatophorite |
|
Locality: Turiy Cape, Kola Peninsula, Russia |
|
_database_code_amcsd 0012383 |
|
9.875 18.010 5.309 90 104.39 90 C2/m |
|
atom x y z occ Uiso |
|
NaAm .5 0 0 .56 .1004 |
|
KAm .5 0 0 .13 .1004 |
|
NaA2 .44870 0 .88028 .155 .0339 |
|
MgM1 0 .08874 .5 .705 .0087 |
|
FeM1 0 .08874 .5 .21 .0087 |
|
TiM1 0 .08874 .5 .085 .0087 |
|
FeM2 0 .18063 0 .655 .0096 |
|
MgM2 0 .18063 0 .345 .0096 |
|
MgM3 0 0 0 .60 .0070 |
|
FeM3 0 0 0 .37 .0070 |
|
MnM3 0 0 0 .02 .0070 |
|
NaM4 0 .27810 .5 .59 .0150 |
|
CaM4 0 .27810 .5 .41 .0150 |
|
Si1 .28009 .08562 .2968 .79 .0075 |
|
Al1 .28009 .08562 .2968 .21 .0075 |
|
Si2 .28894 .17158 .8049 .0068 |
|
O1 .1098 .0882 .2144 .0095 |
|
O2 .1194 .1711 .7313 .0106 |
|
OH3 .1084 0 .7108 .735 .0101 |
|
F3 .1084 0 .7108 .145 .0101 |
|
O3 .1084 0 .7108 .12 .0101 |
|
O4 .3640 .2495 .7948 .0124 |
|
O5 .3494 .1323 .0927 .0153 |
|
O6 .3427 .1176 .5932 .0137 |
|
O7 .3384 0 .2867 .0149 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zdenekite |
|
Zubkova N V, Pushcharovsky D Y, Sarp H, Teat S J, MacLean E J |
| |
Crystallography Reports 48 (2003) 939-943 |
|
Crystal structure of zdenekite NaPbCu5(AsO4)4Cl*5H2O |
|
Locality: Cap Garrone copper-lead mine, France |
|
_database_code_amcsd 0012387 |
|
10.023 19.55 10.023 90 90.02 90 P2_1/n |
|
atom x y z Uiso |
|
Pb1 .362 .5891 .2160 .050 |
|
As1 .152 .8361 .919 .007 |
|
As2 .148 .8473 .503 .050 |
|
As3 .066 .6598 .424 .006 |
|
As4 .060 .6641 .010 .009 |
|
Cu1 .128 .7151 .714 .001 |
|
Cu2 -.138 .7838 .989 .010 |
|
Cu3 .081 .794 .207 .035 |
|
Cu4 .364 .7094 .946 .017 |
|
Cu5 -.143 .5931 .215 .027 |
|
Na -.135 .604 .707 .027 |
|
Cl .634 .367 .289 .026 |
|
O1 .235 .671 .372 .001 |
|
O2 .271 .164 .460 .001 |
|
O3 .541 .854 .096 .001 |
|
O4 -.013 .739 .375 .001 |
|
O5 -.022 .826 .901 .001 |
|
O6 .014 .657 .834 .001 |
|
O7 .820 .160 .918 .001 |
|
O8 .211 .770 .580 .001 |
|
O9 .780 .241 .148 .001 |
|
O10 .235 .909 .563 .001 |
|
O11 .820 .157 .660 .001 |
|
O12 .502 .090 .430 .001 |
|
O13 .002 .863 .537 .001 |
|
O14 .204 .916 .828 .001 |
|
O15 -.008 .723 .081 .001 |
|
O16 -.044 .597 .364 .001 |
|
Wat1 .206 .504 .148 .001 |
|
Wat2 -.172 .479 .233 .001 |
|
Wat3 -.142 .538 .558 .001 |
|
Wat4 .035 .994 .657 .001 |
|
Wat5 .390 .522 .412 .001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Byelorussite-(Ce) |
|
Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Krotova O D |
| |
Crystallography Reports 49 (2004) 964-968 |
|
Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O |
|
Locality: Diabazavoe occurence, Zhitkovichi District, Belarus |
|
_database_code_amcsd 0012389 |
|
22.301 10.514 9.669 90 90 90 Ama2 |
|
atom x y z occ Uiso |
|
Na .5 .5 .3203 .95 .0283 |
|
K .5 .5 .3203 .05 .0283 |
|
Mn .5 .5 0 .52 .0165 |
|
Zn .5 .5 0 .27 .0165 |
|
Fe .5 .5 0 .16 .0165 |
|
Mg .5 .5 0 .05 .0165 |
|
Ba1 .75 -.07387 .3615 .95 .0202 |
|
Sr1 .75 -.07387 .3615 .05 .0202 |
|
Ba2 .75 -.04209 -.1267 .95 .0187 |
|
Sr2 .75 -.04209 -.1267 .05 .0187 |
|
Ce .52267 .18439 .1269 .01638 |
|
Ti .68617 .19084 .1336 .0125 |
|
Si1 .62861 .4743 .1345 .0128 |
|
Si2 .60320 .2019 -.1689 .0135 |
|
Si3 .61373 .1771 .4339 .0129 |
|
Si4 .62760 .4057 -.3966 .0139 |
|
O1 .6824 .0055 .1150 .0168 |
|
O2 .75 -.2997 .5028 .0147 |
|
O3 .4374 .0415 .0630 .0208 |
|
O4 .75 .1792 .2640 .0136 |
|
O5 .5617 .4176 .1265 .0206 |
|
O6 .6357 .5758 .2638 .0191 |
|
O7 .6152 .1733 .2667 .0157 |
|
O8 .6232 .2081 -.0092 .0178 |
|
O9 .6822 .3743 .1579 .0165 |
|
O10 .6519 .3032 -.5138 .0175 |
|
O11 .6497 .0507 .4930 .0180 |
|
O12 .6302 .3273 -.2494 .0224 |
|
O13 .5493 .1752 .5065 .0184 |
|
O14 .5317 .1985 -.1781 .0244 |
|
F .5 .5 -.2031 .7 .028 |
|
OH .5 .5 -.2031 .3 .028 |
|
Wat .75 .6968 .1761 .040 |
|
|
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|
| |
|
Parakeldyshite |
|
Pekov I V, Zubkova N V, Pushcharovsky D Y, Kolitsch U, Tillmanns E |
| |
Crystallography Reports 52 (2007) 1066-1071 |
|
Refined crystal structure of parakeldyshite and genetic crystal |
|
chemistry of zirconium minerals with [Si2O7] diorthogroups |
|
Locality: Alluaiv Mountain (Lovozero), Kola Peninsula, Russia |
|
_database_code_amcsd 0018674 |
|
6.617 8.813 5.426 87.26 85.68 71.75 P-1 |
|
atom x y z occ Uiso |
|
Na1 .8769 .09573 -.25739 .819 .0209 |
|
H1 .8769 .09573 -.25739 .066 .0209 |
|
Na1' .827 .0624 -.2682 .085 .0209 |
|
Na1" .759 .004 -.274 .030 .0209 |
|
Na2 .34251 .50132 .23243 .01722 |
|
Zr .289623 .270621 -.221466 .00530 |
|
Si1 .64397 .14776 .22433 .00560 |
|
Si2 .93730 .33444 .31565 .00551 |
|
O1 .29140 .03947 -.16584 .01355 |
|
O2 .87893 .16677 .27825 .01047 |
|
O3 .49007 .20905 .46593 .01444 |
|
O4 .56307 .25335 -.02375 .00894 |
|
O5 .00766 .31950 .59858 .00951 |
|
O6 .12482 .33736 .11279 .01042 |
|
O7 .27715 .51311 -.28980 .00902 |
|
|
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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) |
|
and its K- and Rb-exchanged forms |
|
Locality: Kahn Bogdo, Mongolia |
|
_database_code_amcsd 0018522 |
|
7.1312 14.6853 14.6349 90 90 90 Pbcm |
|
atom x y z occ Uiso |
|
Na(1) .4449 .23175 .75 .0477 |
|
Na(2) -.00275 .25 .5 .0151 |
|
Zr .49658 .25 .5 .00804 |
|
Si(1) .77343 .38628 .64604 .01028 |
|
Si(2) .50598 .04735 .64184 .01005 |
|
Si(3) .21944 .39130 .64439 .01016 |
|
O(1) .99571 .40384 .63913 .0179 |
|
O(2) .7195 .35610 .75 .0183 |
|
O(3) .7095 .30908 .57729 .0178 |
|
O(4) .6779 .48448 .62422 .0195 |
|
O(5) .5210 .07108 .75 .0192 |
|
O(6) .49255 .14009 .58783 .0177 |
|
O(7) .3072 .48949 .61315 .0167 |
|
O(8) .2826 .37415 .75 .0177 |
|
O(9) .2893 .30986 .58199 .0174 |
|
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) |
|
and its K- and Rb-exchanged forms |
|
Locality: Kahn Bogdo, Mongolia |
|
Note: Rb-exchanged at 90 deg C |
|
_database_code_amcsd 0018523 |
|
7.1280 14.644 14.642 90 90 90 Pbcm |
|
atom x y z occ Uiso |
|
Na(1) .4421 .2315 .75 .661 .0343 |
|
Na(2) -.0029 .25 .5 .920 .0250 |
|
Rb -.004 .1410 .5789 .10 .037 |
|
Zr .49697 .25 .5 .00939 |
|
Si(1) .77407 .38617 .64615 .0132 |
|
Si(2) .50553 .04747 .64216 .0124 |
|
Si(3) .21932 .39087 .64457 .0128 |
|
O(1) .9961 .4040 .6383 .0242 |
|
O(2) .7207 .3560 .75 .0226 |
|
O(3) .7092 .3091 .5775 .0221 |
|
O(4) .6782 .4846 .6250 .0232 |
|
O(5) .5181 .0727 .75 .0219 |
|
O(6) .4929 .1395 .5872 .0237 |
|
O(7) .3086 .4892 .6148 .0221 |
|
O(8) .2808 .3723 .75 .0225 |
|
O(9) .2897 .3097 .5816 .0218 |
|
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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|
| |
|
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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|
| |
|
Tuliokite |
|
Yamnova N A, Pushcharovsky D Yu, Voloshin A V |
| |
Doklady Akademii Nauk SSSR 310 (1990) 99-102 |
|
Crystal structure of the tuliokite - |
|
a new natural Na, Ba, Th carbonate |
|
_database_code_amcsd 0012481 |
|
14.175 14.175 8.605 90 90 120 R-3 |
|
atom x y z Biso |
|
Ba 0 0 .5 3.14 |
|
Na .0941 .4112 .8748 3.42 |
|
Th 0 0 0 2.07 |
|
C .1489 .6589 .856 2.7 |
|
O1 .2028 .1408 .0798 3.0 |
|
O2 .0737 .1357 .2297 2.8 |
|
O3 .2708 .0245 .7379 3.0 |
|
Wat4 .0893 .5710 .2127 3.3 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
|
_database_code_amcsd 0012488 |
|
8.984 8.937 8.927 90 90 90 I222 |
|
atom x y z occ Biso |
|
N 0 0 0 1.8 |
|
C1 .001 .127 .116 1/3 3.8 |
|
C2 .126 .007 .119 1/3 4.8 |
|
C3 .121 .117 .001 1/3 4.9 |
|
Si1 .5 .2511 0 1.08 |
|
Si2 .2491 0 .5 1.05 |
|
Si3 0 .5 .2498 .5 1.09 |
|
Al3 0 .5 .2498 .5 1.09 |
|
O1 .003 .3550 .3537 3.45 |
|
O2 .3509 -.001 .3544 3.8 |
|
O3 .3531 .3540 .007 3.9 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
|
Note: T = 870 C |
|
_database_code_amcsd 0012489 |
|
8.908 8.908 8.925 90 90 90 I422 |
|
atom x y z occ Biso |
|
N 0 0 0 |
|
C .070 .105 .088 4.3 |
|
Si1 .2489 0 .5 1.95 |
|
Si2 0 .5 .25 .5 2.02 |
|
Al2 0 .5 .25 .5 2.02 |
|
O1 .3539 .3539 0 5.5 |
|
O2 .3503 -.010 .3538 4.89 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
|
Note: T = 970 C |
|
_database_code_amcsd 0012490 |
|
8.817 8.817 8.817 90 90 90 I432 |
|
atom x y z occ Biso |
|
N 0 0 0 |
|
C .09 .09 .09 |
|
Si .25 .5 0 5/6 4.4 |
|
Al .25 .5 0 1/6 4.4 |
|
O 0 .3558 .3558 7.8 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Uranophane - alpha |
|
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Pushcharovsky D Y |
| |
Doklady Chemistry 378 (2001) 122-124 |
|
Crystal structure of high-symmetry alpha-uranophane |
|
Locality: Strel'tsovskii ore field, Transbaikal region, Russia |
|
_database_code_amcsd 0012507 |
|
6.670 15.92 6.985 90 90 97.3 P2_1/b |
|
atom x y z occ Biso |
|
Ca .2761 .0187 .1831 .5 .92 |
|
U .1337 .7557 .2174 .97 |
|
Si .6595 .7179 .2194 .78 |
|
O1 .140 .8693 .202 .5 |
|
O2 .811 .7308 .041 .9 |
|
O3 .124 .6418 .236 .8 |
|
O4 .472 .7718 .214 .9 |
|
O5 .817 .2448 .108 1.1 |
|
OH .572 .6144 .229 2.0 |
|
Wat1 0 0 0 5.1 |
|
Wat2 .214 .4893 -.003 3.4 |
|
Wat3 .587 .9347 .1292 5.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Murunskite |
|
Pekov I V, Zubkova N V, Lisitsyn D V, Pushcharovsky D Y |
| |
Doklady Earth Sciences 424 (2009) 139-141 |
|
Crystal chemistry of murunskite |
|
Locality: Murun pluton, Eastern Siberia, Russia |
|
_database_code_amcsd 0017729 |
|
3.8460 3.8460 13.308 90 90 90 I4/mmm |
|
atom x y z occ Uiso |
|
K 0 0 0 .737 .0367 |
|
Cu 0 .5 .25 .74 .0223 |
|
FeCu 0 .5 .25 .27 .0223 |
|
S 0 0 .35177 .0188 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Chesnokovite |
|
Pekova I V, Chukanov N V, Zadov A E, Zubkova N V, Pushcharovsky D Yu |
| |
Geology of Ore Deposits 49 (2007) 727-738 |
|
Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from |
|
the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure |
|
of a new mineral species |
|
Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia |
|
_database_code_amcsd 0012665 |
|
11.7119 19.973 11.5652 90 90 90 Ibca |
|
atom x y z Uiso |
|
Na .1244 .1817 .4143 .038 |
|
Si .3770 0 .25 .028 |
|
O1 .2898 .0540 .1696 .039 |
|
O2 .4469 .0541 .3319 .030 |
|
O3 .119 .0379 .4339 .033 |
|
O4 .1122 .1649 .2061 .025 |
|
O5 .4140 .1755 .0536 .044 |
|
O6 .3215 .1905 .3848 .047 |
|
H1 .27 .016 .11 .1 |
|
H2 .09 .035 .49 .1 |
|
H3 .04 .013 .39 .1 |
|
H4 .05 .138 .209 .1 |
|
H5 .17 .134 .205 .1 |
|
H6 .37 .133 .093 .1 |
|
H7 .40 .167 -.027 .1 |
|
H8 .38 .159 .365 .1 |
|
H9 .35 .238 .339 .1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Deloryite |
|
Pushcharovsky D Y, Rastsvetaeva R K, Sarp H |
| |
Journal of Alloys and Compounds 239 (1996) 23-26 |
|
Crystal structure of deloryite, Cu4(UO2)[Mo2O8](OH)6 |
|
Locality: Cap Garonne mine, Var, France |
|
_database_code_amcsd 0012779 |
|
19.94 6.116 5.520 90 104.18 90 C2/m |
|
atom x y z Biso |
|
Cu1 .2497 0 .505 .53 |
|
Cu2 .25 .25 0 .74 |
|
U 0 0 0 1.86 |
|
Mo .4188 0 .2975 1.14 |
|
O1 .066 0 .289 1.8 |
|
O2 .322 0 .254 2.3 |
|
O3 .433 .250 .146 1.9 |
|
O4 .448 0 .617 1.2 |
|
OH1 .198 0 .831 1.4 |
|
OH2 .203 .250 .281 1.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Datolite |
|
Rastsvetaeva R K, Pushcharovsky D Y, Pekov I V, Voloshin A V |
| |
Kristallografiya 41 (1996) 235-239 |
|
Crystal structure of calcybeborosilite and its place in the datolite-gadolinite |
|
isomorphous series |
|
_database_code_amcsd 0014195 |
|
9.846 7.600 4.766 90 90.11 90 P2_1/a |
|
atom x y z occ Biso |
|
CaM1 .3310 .1066 .9975 .45 1.44 |
|
YM1 .3310 .1066 .9975 .42 1.44 |
|
CeM1 .3310 .1066 .9975 .13 1.44 |
|
FeM2 0 0 0 .25 1.7 |
|
MnM2 0 0 0 .05 1.7 |
|
BT2 .339 .414 .544 .5 1.6 |
|
BeT2 .339 .414 .544 .5 1.6 |
|
SiT1 .0808 .2705 .4835 1.49 |
|
O1 .033 .406 .244 2.1 |
|
O2 .453 .292 .674 2.3 |
|
O3 .202 .337 .684 2.4 |
|
O4 .145 .098 .307 2.6 |
|
O5 .331 .410 .234 .35 1.9 |
|
OH5 .331 .410 .234 .65 1.9 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bendadaite |
| |
Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V, |
|
Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L, |
|
Mockel S, Giester G, Pushcharovsky D Y |
| |
Mineralogical Magazine 74 (2010) 469-486 |
|
Bendadaite, a new iron arsenate mineral of the arthurite group |
|
Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil |
|
_database_code_amcsd 0015896 |
|
10.200 9.718 5.5432 90 94.05 90 P2_1/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) |
|
Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171 |
|
Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
|
Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
|
As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
|
P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
|
O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014 |
|
O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010 |
|
O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016 |
|
O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004 |
|
Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026 |
|
Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015 |
|
Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145 |
|
H .586 .176 .999 .039 |
|
H11 .208 .915 .262 .057 |
|
H12 .128 .941 .456 .056 |
|
H21 .118 .211 .226 .061 |
|
H22 .992 .247 .181 .057 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 |
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atom x y z occ Biso |
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Pb1 .7163 .25 .2412 3.4 |
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Pb2 .2987 .25 .3869 2.8 |
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Cu 0 0 0 1.50 |
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As1 .5584 .25 -.1715 .63 1.0 |
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S1 .5584 .25 -.1715 .37 1.0 |
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As2 -.0449 .25 -.3502 .37 1.2 |
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S2 -.0449 .25 -.3502 .63 1.2 |
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OH1 .1707 .25 .0811 .9 |
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O2 -.2413 .25 -.4682 2.9 |
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O3 .0928 .25 .5563 4.8 |
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O4 .4336 .25 .9346 3.8 |
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O5 .7754 .25 -.0543 2.1 |
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O6 -.0002 .0302 -.2410 2.6 |
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O7 .5099 .0252 -.2875 2.5 |
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Geminite |
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Prencipe M, Pushcharovsky D Y, Sarp H, Ferraris G |
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Moscow University Geology Bulletin 51 (1996) 51-58 |
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Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals |
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Locality: Salsigne mine, Carrassonne, Aude, France |
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_database_code_amcsd 0014670 |
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6.433 8.093 15.764 86.65 84.35 84.47 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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Asl .4095 .4401 .3974 .011 .011 .010 .011 .000 -.001 -.002 |
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As2 .3617 .3611 .0885 .011 .011 .011 .010 .000 -.001 -.001 |
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As3 .1097 .1495 .5923 .011 .011 .012 .010 .000 -.002 -.002 |
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As4 .1453 .0294 .8957 .009 .010 .008 .010 .000 -.001 -.002 |
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Cul .1357 .6379 .9589 .013 .012 .011 .016 -.001 -.002 .001 |
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Cu2 .3876 .8537 .4533 .014 .013 .014 .015 -.002 -.002 .000 |
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Cu3 -.1134 .4060 .4398 .014 .014 .013 .014 -.001 -.001 -.003 |
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Cu4 .6425 .0888 -.0656 .011 .011 .011 .012 -.001 -.002 -.001 |
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O1 .4753 .6215 .3549 .020 .021 .016 .023 -.004 -.001 .003 |
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O2 .5936 -.6560 .4552 .014 .019 .013 .012 -.001 -.005 .000 |
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O3 .1748 .4463 .4553 .018 .018 .013 .021 .001 -.004 -.005 |
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O4 .3988 .4782 .1681 .016 .019 .017 .014 .003 -.006 -.005 |
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O5 .5783 .3255 .0218 .012 .012 .012 .013 -.005 .004 .000 |
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O6 .1565 .4292 .0323 .014 .013 .018 .010 .001 -.001 .000 |
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O7 -.0858 .1825 .5311 .013 .017 .013 .010 -.001 -.004 -.002 |
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O8 .3333 .0871 .5359 .019 .016 .015 .025 .003 -.006 -.005 |
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O9 .0516 .0186 .6767 .018 .016 .011 .027 -.004 -.001 -.001 |
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O10 .1023 -.1689 .8770 .011 .010 .008 .014 -.002 .002 -.002 |
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O11 -.0721 .1399 .9383 .014 .013 .014 .014 .001 .003 -.005 |
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O12 .3447 .0458 .9543 .008 .011 .003 .010 .003 -.001 .000 |
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OH1 .4021 .3126 .3140 .018 .023 .021 .012 .001 -.003 -.008 |
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OH2 .2928 .1764 .1377 .016 .022 .004 .021 .001 -.003 -.001 |
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OH3 .8507 -.3349 .3630 .013 .015 .006 .019 .001 -.001 -.004 |
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OH4 .2218 .1245 .7998 .019 .019 .019 .018 -.006 .001 .000 |
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Wat1 .1806 .4945 .8169 .027 .029 .027 .025 .001 .001 -.002 |
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Wat2 .3708 .9795 .3388 .016 .020 .014 .013 -.001 .002 -.002 |
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Wat3 -.0630 .3149 .3247 .020 .026 .022 .013 .000 -.002 -.006 |
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Wat4 .6411 .1949 -.1788 .016 .017 .015 .018 -.005 .001 -.004 |
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Natrite |
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Zubkova N V, Pushcharovsky D Y, Ivaldi G, Ferraris G, Pekov I V, Chukanov N V |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 85-96 |
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Crystal structure of natrite, gamma-Na2CO3 |
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Locality: Mt Koashva, Khibiny alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0014917 |
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8.905 5.237 6.045 90 101.32 90 C2/m |
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atom x y z Biso |
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Na1 0 0 0 2.27 |
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Na2 0 0 .5 2.46 |
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Na3 .17047 .5 .7478 3.22 |
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C .1645 .5 .2497 1.85 |
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O1 .1023 .2944 .2859 4.58 |
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O2 .2894 .5 .1781 1.81 |
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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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Tsepinite-Ca |
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Pekov I V, Chukanov N V, Ferraris G, Gula A, Pushcharovsky D Y, Zadov A E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 461-480 |
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Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral |
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of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula |
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- novel disordered sites in the vuoriyarvite-type structure |
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Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif, |
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Kola Peninsula, Russia |
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_database_code_amcsd 0014929 |
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14.484 14.191 7.907 90 117.26 90 C2/m |
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atom x y z occ Uiso |
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NaA .4134 .7401 -.000 .175 .049 |
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KA .4134 .7401 -.000 .1388 .049 |
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WatA .4134 .7401 -.000 .0437 .049 |
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BaA' .5 .657 0 .0875 .23 |
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WatA' .5 .657 0 .9125 .23 |
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CaB .432 0 .700 .13 .15 |
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SrB .432 0 .700 .10 .15 |
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WatB .432 0 .700 .65 .15 |
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BaB'1 .5 .829 0 .0158 .12 |
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WatB'1 .5 .829 0 .3175 .12 |
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BaB'2 .462 .907 .851 .0079 .02 |
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WatB'2 .462 .907 .851 .1587 .02 |
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BaB'3 .462 .849 .847 .0079 .10 |
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WatB'3 .462 .849 .847 .1587 .10 |
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SrC .086 0 .330 .07 .10 |
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WatC .086 0 .330 .93 .10 |
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CaC' .251 0 .501 .21 .015 |
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CaD 0 0 .5 .425 .024 |
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MnD 0 0 .5 .025 .024 |
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FeD 0 0 .5 .005 .024 |
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ZnD 0 0 .5 .015 .024 |
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TiM1 0 .7583 .5 .8 .027 |
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NbM1 0 .7583 .5 .2 .027 |
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TiM2 .750 .750 .5 .8 .033 |
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NbM2 .750 .750 .5 .2 .033 |
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Si1 .2004 .1114 .7911 .0174 |
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Si2 .6887 .8894 .7648 .0171 |
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O1 .9001 .7605 .602 .39 .023 |
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OH1 .9001 .7605 .602 .61 .023 |
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O2 .9194 .8626 .326 .040 |
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O3 .2482 .8605 .342 .037 |
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O4 .2694 .8334 .709 .037 |
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O5 .4190 .8331 .308 .044 |
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O6 .340 0 .254 .049 |
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O7 .2418 .8689 .014 .037 |
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O8 .215 0 .762 .045 |
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|
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Potassicarfvedsonite |
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Pekov I V, Chukanov N V, Lebedeva Y S, Pushcharovsky D Y, Ferraris G, Gula A, |
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Zadov A E, Novakova A A, Petersen O V |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 555-574 |
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Potassicarfvedsonite, KNa2Fe2+4Fe3+Si8O22(OH)2,a K-dominant amphibole of the |
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arfvedsonite series from agpaitic pegmatites - Mineral data, structure |
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refinement and disorder in the A site |
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Locality: Ilimaussaq, Greenland |
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_database_code_amcsd 0014932 |
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10.002 18.054 5.319 90 103.90 90 C2/m |
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atom x y z Uiso occ |
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KA'm .013 .5 .039 .038 .342 |
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NaA"m .067 .5 .121 .021 .054 |
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NaA2 0 .472 0 .034 .054 |
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Fe2+M1 0 .09102 .5 .00873 .70 |
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Fe3+M1 0 .09102 .5 .00873 .20 |
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MnM1 0 .09102 .5 .00873 .10 |
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Fe2+M2 0 .18388 0 .00721 .58 |
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Fe3+M2 0 .18388 0 .00721 .39 |
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Ti4+M2 0 .18388 0 .00721 .03 |
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Fe2+M3 0 0 0 .00782 .63 |
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LiM3 0 0 0 .00782 .28 |
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Fe3+M3 0 0 0 .00782 .09 |
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NaM4 0 .27795 .5 .0165 |
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Si1 .27470 .08610 .29088 .00669 |
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Si2 .28655 .17085 .79998 .00683 |
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O1 .10992 .09152 .2078 .0096 |
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O2 .12016 .17285 .7336 .0102 |
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O3 .1084 0 .7081 .0124 .8 |
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F3 .1084 0 .7081 .0124 .2 |
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O4 .3643 .24753 .7991 .0130 |
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O5 .34497 .12684 .0802 .0107 |
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O6 .3374 .11819 .5814 .0115 |
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O7 .3271 0 .2968 .0131 |
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H .223 0 .771 .07 .8 |
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|
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Megacyclite |
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Zubkova N V, Pekov I V, Chukanov N V, Listsin D V, Rabadanov M K, Pushcharovsky D Y |
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New Data on Minerals. Moscow 42 (2007) 81-92 |
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New data on megacyclite |
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_database_code_amcsd 0014933 |
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24.8219 11.9236 14.8765 90 94.486 90 P2_1/c |
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atom x y z Uiso |
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K .91382 .14525 .72291 .03881 |
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Na1 .34232 .12237 .34597 .02689 |
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Na2 .44824 .13180 .82325 .0289 |
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Na3 .55939 .12869 .28837 .0324 |
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Na4 .22742 .13972 .86258 .02652 |
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Na5 .78914 .12064 .25418 .02935 |
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Na6 .67336 .13710 .76626 .0324 |
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Na7 .11812 .11694 .40322 .0354 |
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Na8 .01282 .05626 .11570 .0446 |
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Sil .297439 .17493 .54092 .01369 |
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Si2 .71951 .17838 .44664 .01423 |
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Si3 .400360 .17567 .01732 .01369 |
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Si4 .61727 .18088 .97530 .01496 |
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Si5 .50792 .18194 .49761 .01547 |
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Si6 .19635 .18284 .06553 .01437 |
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Si7 .81558 .17287 .92411 .01483 |
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Si8 .14334 .11673 .64686 .01471 |
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Si9 .88173 .11110 .46350 .01564 |
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O14 .74530 .11403 .53314 .0216 |
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O15 .83506 .10594 .01271 .0222 |
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O16 .84737 .20972 .40773 .0205 |
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O17 .65669 .21333 .45761 .0246 |
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O18 .25601 .21879 .03407 .0210 |
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O19 .16028 .20192 .56640 .0188 |
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O1 .71992 .10119 .35537 .0191 |
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Hl .7150 .0333 .3548 .028 |
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O2 .27993 .09279 .45507 .0200 |
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H2 .2728 .026 .4583 .066 |
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O3 .16938 .10964 .98044 .0192 |
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H3 .1672 .039 .9860 .059 |
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O4 .29887 .11160 .63522 .0203 |
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O5 .61265 .10717 .88171 .0217 |
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H5 .6071 .043 .8851 .060 |
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O6 .38321 .09797 .92889 .0215 |
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H6 .3776 .031 .9326 .061 |
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O7 .75123 .20640 .92225 .0205 |
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O8 .51367 .10963 .58735 .0275 |
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O9 .19976 .11501 .15772 .0194 |
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O10 .40724 .10633 .10854 .0233 |
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O11 .82367 .09931 .83298 .0198 |
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Hl1 .8171 .0367 .8338 .032 |
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O12 .35638 .22273 .51836 .0235 |
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O13 .50322 .10376 .40678 .0278 |
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H13 .4965 .041 .4101 .061 |
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O20 .41959 .18052 .28331 .0273 |
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H20a .4443 .145 .3088 .039 |
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H20b .4181 .163 .2375 .050 |
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O21 .19890 .09026 .71178 .0231 |
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H21 .2250 .0995 .6896 .030 |
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O22 .63775 .10804 .06030 .0288 |
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O23 .09260 .09683 .21876 .0309 |
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H23a .1210 .094 .1956 .058 |
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H23b .0898 .176 .215 .089 |
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O24 .85386 .08407 .55810 .0253 |
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H24 .8199 .0927 .5588 .032 |
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O25 .09694 .16394 .70337 .0215 |
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O26 .52769 .18390 .76158 .0272 |
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H26a .5282 .164 .7162 .054 |
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H26b .5536 .1526 .7832 .033 |
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O27 .63890 .18017 .23162 .0264 |
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H27a .6627 .1479 .2508 .027 |
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H27b .6405 .166 .1835 .036 |
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O28 .19670 .16976 .33956 .0266 |
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H28a .2213 .1435 .3683 .028 |
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H28b .2008 .157 .2943 .052 |
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O29 .30838 .19508 .80967 .0255 |
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H29a .3297 .1563 .8418 .034 |
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H29b .3114 .181 .7653 .063 |
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O30 .94346 .14092 .48509 .0243 |
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O31 .45601 .23503 .99030 .0271 |
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O32 .12566 .00013 .59820 .0285 |
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O33 .41257 .06048 .68015 .0318 |
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H33a .4321 .085 .6483 .055 |
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H33b .3768 .077 .6651 .067 |
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O34 .75341 .19701 .70393 .0290 |
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H34a .7550 .182 .6552 .043 |
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H34b .7731 .1575 .7254 .021 |
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O35 .62623 .06541 .62515 .0348 |
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H35a .5896 .082 .6129 .052 |
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H35b .6392 .093 .590 .077 |
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O36 .55876 .23442 .98791 .0351 |
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O37 .74524 .05079 .11455 .0286 |
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H37a .7666 .075 .0840 .053 |
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H37b .7074 .074 .0944 .060 |
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O38 .30555 .05356 .20507 .0300 |
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H38a .3247 .078 .1746 .051 |
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H38b .2697 .075 .1889 .066 |
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O39 -.00211 .24854 .62662 .0426 |
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H39a .9833 .215 .581 .104 |
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H39b .0262 .215 .639 .108 |
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O40 .08499 .20186 .87558 .0295 |
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H40a .0913 .185 .8190 .060 |
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H40b .1067 .172 .9051 .059 |
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O41 .03014 .04650 .41017 .0303 |
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H41a .0334 -.0070 .4371 .029 |
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H41b .0046 .082 .4368 .051 |
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O42 .87103 .14303 .18903 .0352 |
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H42a .8969 .113 .1981 .050 |
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H42b .8651 .134 .1413 .035 |
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O43 .96867 .00773 .24304 .0379 |
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H43a .9485 -.041 .2583 .038 |
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H43b .9844 .021 .2860 .051 |
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O44 .51857 .05720 .14594 .0343 |
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H44a .5338 .083 .111 .083 |
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H44b .4816 .073 .1367 .056 |
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O45 .97420 .18565 .87773 .0448 |
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H45a .9658 .235 .912 .093 |
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H45b .0075 .192 .8738 .059 |
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O46 .94217 .02574 .00379 .0680 |
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H46a .9136 .0501 .0070 .043 |
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|
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Raite |
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Pluth J J, Smith J V, Pushcharovsky D Y, Semenov E I, Bram A, Riekel C, |
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Weber H P, Broach R W |
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Proceedings of the National Academy of Sciences of the United States of America 94 (1997) 12263-12267 |
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Third-generation synchrotron X-ray diffraction of 6-mue-m crystal of raite, |
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~Na3Mn3Ti0.25Si8O20(OH)2*10(H2O) opens up new chemistry and physics of |
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low-temperature minerals |
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Locality: Yubileinaya pegmatite, Karnasurt Mountain, Lovozero massif, |
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Kola Peninsula, Russia |
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_database_code_amcsd 0015330 |
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15.1 17.6 5.290 90 100.5 90 C2/m |
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atom x y z occ Uiso |
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Na1 .5 .2997 0 .019 |
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Na2 .5 0 0 .040 |
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Mn1 0 0 0 .013 |
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Mn2 .5 .40289 .5 .017 |
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Ti .5 .2039 .5 .113 .025 |
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Si1 .31210 .41406 .0569 .010 |
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Si2 .30524 .32828 .5497 .011 |
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O1 .4198 .4133 .1184 .016 |
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O2 .0882 .1816 .4077 .021 |
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O3 .25 .25 .5 .028 |
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OH4 .0678 0 .361 .020 |
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O5 .2718 .5 .006 .012 |
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O6 .2295 .1328 .2036 .013 |
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O7 .2686 .3802 .2936 .014 |
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Wat8 .4018 0 .304 .042 |
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Wat9 .0720 .3992 .271 .054 |
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Wat10 .4176 .2096 .201 .062 |
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|
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Clinophosinaite |
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Krutik V M, Pushcharovsky D Y, Khomyakov A P, Pobedimskaya E A, Belov N V |
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Soviet Physics - Crystallography 25 (1980) 138-142 |
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Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra) |
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in the structure of monoclinic fosinaite |
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Locality: Khibiny pegmatites, Kola Peninsula, Russia |
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_database_code_amcsd 0015582 |
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7.303 12.201 14.715 90 91.93 90 P2/c |
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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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Na1 0 .4622 .25 2.01 .00807 .00270 .00313 .00000 -.00011 .00000 |
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Na2 0 .1709 .25 2.56 .01548 .00204 .00386 .00000 .00130 .00000 |
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Na3 .5 .1251 .75 4.17 .03299 .00156 .00943 .00000 -.01462 .00000 |
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Na4 .5 .1641 .25 3.18 .02792 .00251 .00406 .00000 -.00589 .00000 |
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Na5 .5 .4545 .25 1.84 .00901 .00151 .00271 .00000 -.00142 .00000 |
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Na6 .5 .5 0 .72 .00413 .00099 .00062 -.00056 -.00074 .00080 |
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Na7 .4841 .1760 -.0055 2.70 .01116 .00557 .00265 -.00221 .00095 -.00048 |
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Na8 .2552 .3378 .3907 .96 .00642 .00204 .00094 .00019 .00009 .00008 |
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Na9 .2672 .0041 .1165 3.49 .01914 .00149 .00732 -.00019 -.00093 .00114 |
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Ca1 0 .5 0 .49 .00272 .00112 .00079 -.00064 .00016 .00022 |
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Ca2 0 .1434 .75 1.46 .01116 .00099 .00150 .00000 .00309 .00000 |
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Ca3 .0002 .1909 .5147 1.22 .00488 .00398 .00082 .00165 -.00021 .00029 |
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Si1 .3005 .3157 .6391 .53 .00337 .00131 .00060 -.00016 -.00037 .00004 |
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Si2 .2658 .3578 .8405 .47 .00286 .00149 .00057 .00016 .00002 .00004 |
|
P1 .2543 .3066 .1340 .62 .00337 .00131 .00060 .00005 -.00037 .00018 |
|
P2 .2431 .0281 .3797 .87 .00319 .00127 .00077 -.00016 -.00021 .00004 |
|
O1 .2496 .1878 .6499 1.36 .01023 .00102 .00186 -.00008 .00041 .00020 |
|
O2 .2144 .3681 .5477 1.63 .01177 .00285 .00056 .00283 -.00065 .00001 |
|
O3 .4759 .3203 .8651 2.92 .00511 .01209 .00225 .00350 -.00007 .00051 |
|
O4 .2538 .3879 .7298 1.47 .01299 .00179 .00049 .00098 -.00034 -.00009 |
|
O5 .2183 .4689 .8900 1.36 .01450 .00127 .00145 -.00022 .00074 -.00055 |
|
O6 .1427 .2526 .8593 2.19 .01346 .00251 .00267 -.00280 .00237 .00008 |
|
O7 .2586 .1858 .1043 2.08 .01304 .00075 .00312 .00016 .00065 -.00032 |
|
O8 .2509 .3155 .2379 1.62 .00774 .00466 .00041 -.00126 -.00018 .00029 |
|
O9 .0743 .3545 .0925 1.27 .00370 .00275 .00189 .00042 -.00104 .00062 |
|
O10 .4223 .3644 .0999 1.21 .00375 .00325 .00168 -.00073 -.00021 .00101 |
|
O11 .2348 .1501 .4082 1.87 .00962 .00238 .00337 -.00008 .00072 -.00167 |
|
O12 .0742 .0263 .9147 .5 3.87 .01173 .00275 .01296 -.00078 .00871 -.00146 |
|
O13 .2080 .0151 .2796 .5 3.83 .06471 .00470 .00265 -.00039 .00202 -.00068 |
|
O14 .4226 .0206 .9088 .5 3.69 .01107 .00458 .01231 -.00129 -.00638 -.00078 |
|
O15 .3854 .0185 .3028 .5 .87 .01182 -.00055 -.00022 .00381 .00372 .00094 |
|
O16 .2615 .0517 .9565 .5 3.19 .04092 .00678 .00139 -.01049 .00708 -.00501 |
|
O17 .0668 .0121 .3149 .5 3.06 .00605 -.00272 .00462 .00044 .01322 .00108 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Calciotantite |
|
Yamnova N A, Pushcharovsky D Yu, Voloshin A V |
| |
Soviet Physics - Crystallography 33 (1988) 498-499 |
|
Identity of ungursaite with calciotantite and synthetic CaTa4O11 |
|
Locality: Kola Peninsula, Russia |
|
Note: displacement parameters taken from ICSD |
|
_database_code_amcsd 0015587 |
|
6.245 6.245 12.323 90 90 120 P6_322 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca 1/3 2/3 .75 .94 .35 .002735 .002735 .000659 .001368 0 0 |
|
Na 1/3 2/3 .75 .06 .35 .002735 .002735 .000659 .001368 0 0 |
|
Ta1 .35897 0 0 .186 .002222 .000598 .000313 .000342 -.000188 -.000075 |
|
Ta2 1/3 2/3 .25 .86 .22 .001880 .001880 .000362 .000940 0 0 |
|
Nb2 1/3 2/3 .25 .13 .22 .001880 .001880 .000362 .000940 0 0 |
|
O1 .375 .943 .1554 .995 .4 .005128 .004274 .000329 .003419 .000750 .001125 |
|
O2 .757 0 0 .1 .001709 .000000 .000329 .000000 .003376 .001500 |
|
O3 1/3 2/3 .9663 .1 .000855 .000855 .000000 .000513 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinobehoite |
|
Nadezhina T N,Pushcharovsky D Y, Rastsvetaeva R K, Voloshin A V, Burshtein I F |
| |
Soviet Physics Doklady 34 (1989) 187-189 |
|
Crystal structure of a new natural form of Be(OH)2 |
|
Locality: Ural Mountains, Russia |
|
_database_code_amcsd 0015616 |
|
11.020 4.746 8.646 90 98.94 90 P2_1 |
|
atom x y z Biso |
|
Be1 .3099 .537 .407 .3 |
|
Be2 .3087 .048 .219 .9 |
|
Be3 .3254 .284 .909 .8 |
|
Be4 .6750 .292 .280 1.2 |
|
Be5 .9158 .256 .477 .5 |
|
Be6 .0849 .248 .009 1.6 |
|
O1 .3541 .215 .3837 .9 |
|
O2 .3506 .714 .2587 1.4 |
|
O3 .3788 .672 .5732 1.5 |
|
O4 .1632 .580 .4105 .8 |
|
O5 .3749 .161 .0769 1.3 |
|
O6 .1622 .083 .1564 .7 |
|
O7 .3728 .624 .8852 1.0 |
|
O8 .1743 .282 .8786 1.2 |
|
O9 .3743 .116 .7645 1.0 |
|
O10 .0392 .064 .4557 .8 |
|
O11 .0406 .568 .057 .9 |
|
O12 .8241 .288 .3094 .8 |
|
H1 .35 .15 .48 1.5 |
|
H2 .66 .22 .05 1.5 |
|
H3 .61 .73 .30 1.5 |
|
H4 .37 .64 .19 1.5 |
|
H5 .12 .57 .31 1.5 |
|
H6 .57 .15 .44 1.5 |
|
H7 .95 .05 .34 1.5 |
|
H8 .14 .14 .25 1.5 |
|
H9 .85 .08 .20 1.5 |
|
H10 .83 .58 .23 1.5 |
|
H11 .95 .54 .16 1.5 |
|
H12 .42 .18 .04 1.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Grumantite |
|
Yamnova N Y, Pushcharovsky D Y, Andrianov V I, Rastsvetaeva R K, |
|
Khomyakov A P, Mikheeva M G |
| |
Soviet Physics Doklady 34 (1989) 284-286 |
|
A new type of silicon-oxygen group in the structure of grumantite |
|
Na[Si2O4(OH)]*H2O |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015617 |
|
15.979 18.25 7.169 90 90 90 Fdd2 |
|
atom x y z Biso |
|
Na .1382 .2385 .8868 1.44 |
|
Si1 .1030 .2258 .3753 .56 |
|
Si2 .2241 .0907 .3719 .51 |
|
O1 .1691 .1618 .4289 1.06 |
|
O2 .1589 .0243 .3149 .81 |
|
O4 .0413 .1452 .9666 .90 |
|
O6 .0140 .1873 .3233 .78 |
|
Oh5 .1183 .0253 .9513 1.17 |
|
Ow3 .0079 .0843 .6276 1.49 |
|
H1 .015 .112 .72 1.5 |
|
H2 .010 .120 .54 1.5 |
|
H3 .095 .071 .97 1.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Depmeierite |
| |
Pekov I V, Olysych L V, Chukanov N V, Van K V, Pushcharovsky D Y |
| |
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 139 (2010) 63-74 |
|
Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite |
|
group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia) |
|
Locality: Lovozero alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0017798 |
|
12.7345 12.7345 5.1798 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Na1 2/3 1/3 .1212 .982 .0311 |
|
Na2 .13776 .27865 .28006 .980 .0393 |
|
Al .07608 .41475 .75026 .01020 |
|
Si .32996 .41374 .75 .00982 |
|
P1 0 0 .5348 .23 .0480 |
|
P2 0 0 .2295 .07 .049 |
|
O1 .20282 .40392 .6707 .0173 |
|
O2 .12146 .56699 .7284 .0250 |
|
O3 .02621 .35498 .05607 .0189 |
|
O4 .32260 .36329 .03864 .0191 |
|
Wat1 .6921 .3812 .6860 .33 .0559 |
|
Wat2 -.0006 .1035 .5322 .20 .061 |
|
O5 .0513 .1215 .8854 .20 .077 |
|
O6 0 0 .3714 .20 .058 |
|
O7 .0930 .1065 .5653 .10 .071 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bario-olgite |
| |
Pekov I V, Chukanov N V, Kulikova I M, Zubkova N V, Krotova O D, Sorokina N I, Pushcharovsky D Y |
| |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 41-49 |
|
New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure |
|
_database_code_amcsd 0015713 |
|
5.541 5.541 7.020 90 90 120 P3 |
|
atom x y z occ Uiso |
|
BaM1 0 0 0 .94 .0439 |
|
KM1 0 0 0 .06 .0439 |
|
NaM2 2/3 1/3 .335 .5 .0348 |
|
CeM2 2/3 1/3 .335 .18 .0348 |
|
SrM2 2/3 1/3 .335 .28 .0348 |
|
CaM2 2/3 1/3 .335 .04 .0348 |
|
NaM3 1/3 2/3 .664 .62 .0067 |
|
SrM3 1/3 2/3 .664 .38 .0067 |
|
NaM4 0 0 .505 .0142 |
|
P1 1/3 2/3 .225 .0105 |
|
P2 2/3 1/3 .792 .026 |
|
O1 .795 .182 .702 .046 |
|
O2 .170 .821 .294 .051 |
|
O3 1/3 2/3 -.000 .035 |
|
O4 2/3 1/3 -.008 .039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ewaldite |
|
Voloshin A V, Subbotin V V, Yakovenchuk V N, Pakhomovsky Y A, |
|
Men'shikov Y P, Nadezhina T N, Pushcharovsky D Y |
| |
Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 1992 (1992) 56-66 |
|
New data on the ewaldite |
|
_database_code_amcsd 0015721 |
|
5.318 5.318 12.837 90 90 120 P6_3mc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba 1/3 2/3 0 .008250 .008250 .002124 .004125 0 0 |
|
Ca 1/3 2/3 .3045 .007543 .007543 .001062 .003772 0 0 |
|
C 0 0 .427 .007190 .007190 .002124 .003654 0 0 |
|
O1 .139 -.139 .426 .007425 .007425 .005765 .009429 .000423 -.000423 |
|
O2 .292 .081 .665 .19 4.2 |
|
O3 .532 .062 .151 .12 2.6 |
|
O4 .603 .212 .277 .24 2.0 |
|
O5 .231 .466 .703 .07 4.9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cancrisilite |
|
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# 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 |
|
_database_code_amcsd 0018868 |
|
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)
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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# 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)
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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# 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 |
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CaA' .1248 .2525 .2996 .05 .0209 |
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NaA .1190 .2411 .276 .35 .0263 |
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CaA .1190 .2411 .276 .04 .0263 |
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C1 0 0 .660 .225 .0177 |
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OC1 .0577 .1187 .660 .225 .0163 |
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C2 0 0 .9029 .247 .0198 |
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OC2 .0577 .1185 .9029 .247 .0262 |
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C3 0 0 .581 .092 .007 |
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OC3 .0566 .1145 .581 .092 .016 |
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C4 0 0 .7581 .172 .0108 |
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OC4 .0567 .1186 .7581 .172 .0176 |
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View JMOL 3-D Structure
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Cancrinite |
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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 |
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The Canadian Mineralogist 49 (2012) 1129-1150 |
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Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
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A review and new data. I. Chemical and structural variations |
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Note: Sample# mmf28962 |
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Locality: Ilmeny Mountains, southern Urals, Russia |
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_database_code_amcsd 0018874 |
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12.617 12.617 5.129 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32795 .41047 .75 .00926 |
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Al2 .07506 .41250 .75085 .97 .00954 |
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Si2 .07506 .41250 .75085 .03 .00954 |
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O1 .20308 .40495 .6581 .0166 |
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O2 .11353 .56358 .7273 .0211 |
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O3 .02942 .34970 .0598 .0174 |
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O4 .31396 .35719 .0433 .0168 |
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Na 2/3 1/3 .124 .705 .0343 |
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Na' 2/3 1/3 .187 .18 .026 |
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Wat .6849 .3068 .6857 .333 .066 |
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NaA .12273 .24770 .2913 .64 .0253 |
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CaA .12273 .24770 .2913 .16 .0253 |
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NaA' .1320 .2699 .2998 .15 .038 |
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CaA' .1320 .2699 .2998 .04 .038 |
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C1 0 0 .715 .211 .021 |
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OC1 .0575 .1202 .715 .211 .022 |
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C2 0 0 .944 .185 .011 |
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OC2 .0575 .1165 .944 .185 .026 |
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C3 0 0 .626 .225 .024 |
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OC3 .0572 .1172 .626 .225 .024 |
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C4 0 0 .844 .150 .006 |
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OC4 .0587 .1192 .844 .150 .025 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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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 |
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Note: Sample# mmf62633/2 |
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Locality: Dakhuunur |
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_database_code_amcsd 0018875 |
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12.613 12.613 5.124 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32770 .41029 .75 .00911 |
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Al2 .07504 .41252 .7511 .97 .00991 |
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Si2 .07504 .41252 .7511 .03 .00991 |
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O1 .20285 .40426 .6582 .0156 |
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O2 .1127 .56339 .7281 .0204 |
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O3 .02932 .3487 .0608 .0162 |
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O4 .31292 .3565 .0430 .0161 |
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Na 2/3 1/3 .1380 .815 .0382 |
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Wat .691 .3741 .679 .333 .061 |
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NaA .12252 .24759 .2959 .64 .0222 |
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CaA .12252 .24759 .2959 .25 .0222 |
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NaA' .1424 .2866 .288 .06 .0222 |
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CaA' .1424 .2866 .288 .02 .0222 |
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C1 0 0 .6751 .432 .044 |
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OC1 .0578 .1186 .6751 .432 .046 |
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C2 0 0 .912 .373 .038 |
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OC2 .0590 .1185 .912 .373 .044 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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|
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 |
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Note: Sample# ggm44331 |
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Locality: Vishnevye Mountains |
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_database_code_amcsd 0018876 |
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12.627 12.627 5.136 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32815 .41088 .75 .01027 |
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Al2 .07515 .41252 .7510 .94 .01077 |
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Si2 .07515 .41252 .7510 .06 .01077 |
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O1 .20301 .40490 .6605 .0172 |
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O2 .11441 .56360 .7266 .0219 |
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O3 .02867 .34943 .0600 .0168 |
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O4 .31430 .35775 .0427 .0177 |
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Na 2/3 1/3 .1345 .0374 |
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Wat .686 .303 .6892 .333 .064 |
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NaA .1223 .2452 .2867 .44 .0241 |
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CaA .1223 .2452 .2867 .10 .0241 |
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NaA' .1269 .2601 .301 .39 .040 |
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CaA' .1269 .2601 .301 .07 .040 |
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C1 0 0 .692 .19 .016 |
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OC1 .0574 .1194 .692 .19 .010 |
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C2 0 0 .935 .216 .012 |
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OC2 .0603 .1155 .935 .216 .034 |
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C3 0 0 .611 .21 .023 |
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OC3 .0541 .1138 .611 .21 .034 |
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C4 0 0 .810 .234 .018 |
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OC4 .060 .123 .810 .234 .071 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Fluorbritholite-(Y) |
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Pekov I V, Zubkova N V, Chukanov N V, Husdal T A, Zadov A E, Pushcharovsky D Y |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 188 (2011) 191-197 |
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Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group |
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Locality: Lagmannsvik, Hamaroy, Nordland, Norway |
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_database_code_amcsd 0018905 |
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9.4437 9.4437 6.8169 90 90 120 P6_3/m |
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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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YMl 1/3 2/3 -.00130 .68 .0173 .0207 .0207 .0105 .0104 0 0 |
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CaMl 1/3 2/3 -.00130 .22 .0173 .0207 .0207 .0105 .0104 0 0 |
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CeMl 1/3 2/3 -.00130 .07 .0173 .0207 .0207 .0105 .0104 0 0 |
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LaMl 1/3 2/3 -.00130 .03 .0173 .0207 .0207 .0105 .0104 0 0 |
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YM2 .24761 .00642 .25 .20 .0167 .0182 .0155 .0125 .0054 0 0 |
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NdM2 .24761 .00642 .25 .11 .0167 .0182 .0155 .0125 .0054 0 0 |
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CeM2 .24761 .00642 .25 .07 .0167 .0182 .0155 .0125 .0054 0 0 |
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YbM2 .24761 .00642 .25 .06 .0167 .0182 .0155 .0125 .0054 0 0 |
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DyM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
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ErM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
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GdM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
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SmM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
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PrM2 .24761 .00642 .25 .02 .0167 .0182 .0155 .0125 .0054 0 0 |
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CaM2 .24761 .00642 .25 .36 .0167 .0182 .0155 .0125 .0054 0 0 |
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MnM2 .24761 .00642 .25 .01 .0167 .0182 .0155 .0125 .0054 0 0 |
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Si .3720 .4005 .25 .0111 .0111 .0140 .0100 .0076 0 0 |
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O1 .4700 .5975 .25 .0285 .015 .015 .050 .003 0 0 |
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O2 .4924 .3250 .25 .0253 .024 .044 .020 .027 0 0 |
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O3 .2530 .3418 .4365 .0438 .035 .091 .023 .044 .016 .030 |
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F 0 0 .25 .114 .047 .047 .25 .024 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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