|
Kassite |
 |
Grey I E, Mumme W G, Pekov I V, Pushcharovsky D Y |
 |
American Mineralogist 88 (2003) 1331-1335 |
|
The crystal structure of chromian kassite from the Saranovskoye deposit, |
|
Northern Urals, Russia |
|
_database_code_amcsd 0003155 |
|
5.275 9.009 9.557 90 90.43 90 P2_1/a |
|
atom x y z Uiso |
|
Ca .0063 .4821 .2505 .0244 |
|
Ti1 .0056 .1605 .4927 .0229 |
|
Ti2 .0010 .1815 .9920 .0239 |
|
O1 .380 .4973 .3866 .023 |
|
O1a .885 .9971 .8784 .024 |
|
O2 .683 .8167 .1211 .023 |
|
O2a .189 .3144 .6238 .024 |
|
O3 .807 .3105 .3955 .026 |
|
O3a .310 .8144 .8994 .024 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natrite |
 |
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I |
| |
American Mineralogist 95 (2010) 574-581 |
|
The incommensurately modulated structures of natural natrite at 120 |
|
and 293 K from synchrotron X-ray data |
|
Locality: Mt. Koashva, Khibiny massif, Kola peninsula, Russia |
|
T = 120 K |
|
_database_code_amcsd 0005042 |
|
8.825 5.194 5.953 90 101.83 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 0 0 0 .976 .0117 |
|
Na2 0 0 .5 .987 .0117 |
|
Na3 .17101 .5 .74766 .977 .0155 |
|
C .16446 .5 .2492 .0103 |
|
O1 .10211 .29314 .28695 .0186 |
|
O2 .28945 .5 .17451 .0159 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natrite |
 |
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I |
| |
American Mineralogist 95 (2010) 574-581 |
|
The incommensurately modulated structures of natural natrite at 120 |
|
and 293 K from synchrotron X-ray data |
|
Locality: Mt. Koashva, Khibiny massif, Kola peninsula, Russia |
|
T = 293 K |
|
_database_code_amcsd 0005043 |
|
8.851 5.24 6.021 90 101.08 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 0 0 0 .977 .0191 |
|
Na2 0 0 .5 .987 .0197 |
|
Na3 .17036 .5 .74816 .977 .0271 |
|
C .16441 .5 .2492 .0145 |
|
O1 .10178 .29423 .28557 .0310 |
|
O2 .28986 .5 .1776 .0271 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natrite |
 |
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I |
| |
American Mineralogist 95 (2010) 574-581 |
|
The incommensurately modulated structures of natural natrite at 120 |
|
and 293 K from synchrotron X-ray data |
|
Locality: Mt. Koashva, Lovozero massif, Kola peninsula, Russia |
|
T = 293 K |
|
_database_code_amcsd 0005044 |
|
8.8818 5.235 6.0455 90 101.464 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 0 0 0 .978 .0189 |
|
Na2 0 0 .5 .975 .0182 |
|
Na3 .17065 .5 .74801 .970 .0264 |
|
C .16426 .5 .2491 .0133 |
|
O1 .10165 .29451 .28529 .0283 |
|
O2 .28932 .5 .1776 .0257 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Delindeite |
 |
Ferraris G, Ivaldi G, Pushcharovsky D Y, Zubkova N V, Pekov I V |
 |
The Canadian Mineralogist 39 (2001) 1307-1316 |
|
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 |
|
5.327 6.856 21.51 90 93.80 90 A2/m |
|
atom x y z occ Uiso |
|
Ba .2539 0 .27141 .96 .017 |
|
Ba' .254 0 .221 .02 .015 |
|
Ba" .261 0 .320 .02 .015 |
|
Ti(1) 0 0 0 .015 |
|
Ti(2) .2731 1/2 .3453 .057 |
|
Si .7891 -.2298 .3788 .020 |
|
Na(1) -.055 0 .503 .24 .029 |
|
Na(2) 1/2 -.246 1/2 .56 .030 |
|
O(1) .827 -.299 .4510 .029 |
|
O(2) .097 0 .6252 .54 .022 |
|
O(2') .326 0 .616 .46 .032 |
|
O(3) .527 -.297 .3461 .061 |
|
O(4) .012 -.302 .3399 .072 |
|
O(5) -.272 0 .0596 .028 |
|
O(6) .260 .059 .7577 .50 .022 |
|
Wat(7) .287 0 .440 .58 .048 |
|
Wat(7') .252 0 .476 .38 .032 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kuannersuite-(Ce) |
| |
Friis H, Balic-Zunic T, Pekov I V, Petersen O V |
 |
The Canadian Mineralogist 42 (2004) 95-106 |
|
Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group, from |
|
the Ilimaussaq Alkaline Complex, South Greenland: Description and crystal chemistry |
|
Locality: Ilimaussaq Alkaline Complex, South Greenland |
|
_database_code_amcsd 0005927 |
|
9.9097 9.9097 7.4026 90 90 120 P-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .26020 .02440 .23296 .981 .01277 .0163 .0117 .0104 .00718 -.00062 -.00074 |
|
Ce 1/3 2/3 .47754 .59 .0086 .0087 .0087 .0085 .00438 0 0 |
|
Nd 1/3 2/3 .47754 .26 .0086 .0087 .0087 .0085 .00438 0 0 |
|
La 1/3 2/3 .47754 .15 .0086 .0087 .0087 .0085 .00438 0 0 |
|
Na 2/3 1/3 .0159 1.17 .0213 .024 .024 .014 .0125 0 0 |
|
P .3809 .4123 .2619 .0096 .0097 .0100 .0098 .0054 -.0005 -.0003 |
|
O1 .5072 .3668 .2841 .0185 .019 .024 .018 .016 -.003 -.002 |
|
O2 .1318 .5455 .2190 .0155 .013 .014 .021 .008 .0007 -.002 |
|
O3 .2851 .3867 .4371 .0175 .020 .020 .011 .010 .003 .002 |
|
O4 .2676 .3096 .1150 .0192 .014 .024 .016 .008 -.006 -.009 |
|
F1 0 0 .035 .027 |
|
F2 0 0 1/2 .41 .015 .013 .013 .020 .0066 0 0 |
|
Cl 0 0 1/2 .59 .015 .013 .013 .020 .0066 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ilimaussite-(Ce) |
 |
Ferraris G, Gula A, Zubkova N V, Pushcharovsky D Y, |
|
Gobetchiya E R, Pekov I V, Eldjarn K |
 |
The Canadian Mineralogist 42 (2004) 787-795 |
|
The crystal structure of ilimaussite-(Ce), |
|
(Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, |
|
and the "ilimaussite" problem |
|
_database_code_amcsd 0005939 |
|
10.770 10.770 61.05 90 90 120 R32 |
|
atom x y z occ Uiso |
|
Ce1 2/3 1/3 -.00005 .85 .027 |
|
Fe1 2/3 1/3 -.00005 .15 .027 |
|
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 |
|
Na1 .0005 .3263 .1001 .22 .044 |
|
K1 .0005 .3263 .1001 .12 .044 |
|
Ba2 1/3 2/3 .0657 .85 .043 |
|
Th2 1/3 2/3 .0657 .15 .043 |
|
Ba3 2/3 1/3 .06561 .95 .037 |
|
K3 2/3 1/3 .06561 .05 .037 |
|
Nb .3439 .3427 .0844 .62 .038 |
|
Ti .3439 .3427 .0844 .33 .038 |
|
Fe .3439 .3427 .0844 .05 .038 |
|
Na1 .489 .485 .0277 .5 .015 |
|
Na2 .505 .505 0 .5 .05 |
|
K1 0 0 .0728 .9 .029 |
|
Ba1 0 0 .0728 .1 .029 |
|
K2 0 0 0 .8 .042 |
|
Sr2 0 0 0 .1 .042 |
|
Ba2 0 0 0 .1 .042 |
|
Si1 .3254 .168 .0386 .026 |
|
Si2 .1562 .8297 .0387 .021 |
|
Si3 .168 .167 .1302 .5 .016 |
|
Si4 .333 .502 .1292 .5 .017 |
|
Si5 .505 .331 .1292 .5 .018 |
|
O1 .332 .175 .0670 .030 |
|
O2 .486 .489 .0678 .041 |
|
O3 .157 .822 .0673 .033 |
|
O4 .175 .183 .1032 .037 |
|
O5 .328 .473 .1022 .045 |
|
O6 .486 .333 .1023 .040 |
|
O7 .216 -.000 .0300 .039 |
|
O8 .478 .220 .0267 .034 |
|
O9 .264 .783 .0270 .03 |
|
O10 .270 .273 .0281 .029 |
|
OH11 2/3 1/3 .1290 .10 |
|
OH12 .3439 .1962 .1390 .10 |
|
OH13 .4768 .4690 .1360 .10 |
|
OH14 .2077 .3422 .1380 .10 |
|
OH15 0 0 .1290 .15 |
|
OH16 1/6 1/3 .1290 .15 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Calcium catapleiite |
 |
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 0005960 |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Leningradite |
 |
Siidra O I, Krivovichev S V, Armbruster T, Filatov S K, Pekov I V |
| |
The Canadian Mineralogist 45 (2007) 445-449 |
|
The crystal structure of leningradite, PbCu3(VO4)2Cl2 |
|
Locality: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
|
Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev |
|
_database_code_amcsd 0006144 |
|
9.005 11.046 9.349 90 90 90 Ibam |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .5 0 .25 .0210 .0262 .0153 .0215 0 0 0 |
|
Cu1 0 0 0 .0142 .0176 .0146 .0104 -.0050 0 0 |
|
Cu2 .25095 -.32837 0 .0128 .0089 .0198 .0096 .0035 0 0 |
|
V .5 .29546 .25 .0073 .0072 .0093 .0054 0 .0005 0 |
|
O1 .0981 .1107 .1354 .0126 .0123 .013 .013 -.0034 -.0022 .0021 |
|
O2 .3871 .2015 .1565 .0141 .017 .015 .011 -.0005 -.0032 -.0009 |
|
Cl .3116 -.0834 0 .0210 .0208 .0183 .0238 .0029 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Londonite |
 |
Pekov I V, Yakubovich O V, Massa W, Chukanov N V, Kononkova N N, |
|
Agakhanov A A, Karpenko V Y |
| |
The Canadian Mineralogist 48 (2010) 241-254 |
|
Londonite from the Urals, and new aspects of the crystal chemistry |
|
of the rhodozite-londonite series, |
|
Locality: Ministerskaya Yama Pit, Sarapulka pegmatite field, Russia |
|
Note: sample FMM-32135 |
|
_database_code_amcsd 0006327 |
|
7.3149 7.3149 7.3149 90 90 90 P-43m |
|
atom x y z occ Uiso |
|
Cs .5 .5 .5 .553 .0146 |
|
K .460 .460 .460 .083 .0146 |
|
Al .85964 .85964 .85964 .0032 |
|
B .5 .7482 0 .90 .0029 |
|
Be' .5 .7482 0 .10 .0029 |
|
Be .2415 .7585 .7585 .91 .0050 |
|
O1 .1185 .8815 .8815 .0040 |
|
O2 .5995 .86343 .86343 .0033 |
|
O3 .36488 .63512 .9004 .0040 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gjerdingenite-Mn |
| |
Raade G, Chukanov N V, Kolitsch U, Mockel S, Zadov A E, Pekov I V |
| |
European Journal of Mineralogy 16 (2004) 979-987 |
|
Gjerdingenite-Mn from Norway - a new mineral species |
|
in the labuntsovite group: descriptive data and crystal structure |
|
Locality: Gjerdingselva, Lunner, Oppland, Oslo Region, Norway |
|
_database_code_amcsd 0007086 |
|
14.563 13.961 7.851 90 117.62 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
WatB .4336 .0000 .731 .100 .058 .156 .095 0 .043 0 |
|
KB' .5 .8285 0 .72 .090 .060 .134 .073 0 .027 0 |
|
WatB' .5 .8285 0 .28 .090 .060 .134 .073 0 .027 0 |
|
WatC .0870 0 .3353 .035 .044 .027 .037 0 .022 0 |
|
MnD 0 0 .5 .831 .0197 .021 .019 .016 0 .0060 0 |
|
MnD' .2510 0 .501 .091 .017 |
|
Nb1 0 .76495 .5 .547 .0321 .0266 .0205 .0284 0 -.0051 0 |
|
Ti1 0 .76495 .5 .453 .0321 .0266 .0205 .0284 0 -.0051 0 |
|
Nb2 .75 .75 .5 .707 .0357 .0639 .0275 .0313 .0062 .0355 .0035 |
|
Ti2 .75 .75 .5 .293 .0357 .0639 .0275 .0313 .0062 .0355 .0035 |
|
Si1 .2055 .1088 .7984 .0185 .0235 .0107 .0204 .0007 .0093 .0017 |
|
Si2 .6854 .8904 .7573 .0183 .0222 .0103 .0217 -.0007 .0095 -.0003 |
|
OH1 .9018 .7669 .6081 .0231 .019 .031 .013 .001 .002 .002 |
|
O2 .9181 .8810 .3351 .0285 .024 .028 .031 -.003 .011 -.001 |
|
O3 .2585 .8716 .3740 .0290 .029 .028 .034 .000 .017 .001 |
|
O4 .2707 .8205 .7307 .0259 .026 .027 .028 .001 .015 .000 |
|
O5 .4153 .8215 .3032 .0286 .027 .029 .033 .010 .017 .014 |
|
O6 .3563 0 .2678 .033 .037 .017 .051 0 .027 0 |
|
O7 .2326 .8718 .0195 .0310 .042 .027 .021 .002 .011 .001 |
|
O8 .2411 0 .7822 .031 .034 .019 .042 0 .018 0 |
|
Wat 0 .134 0 .117 .14 .18 .038 0 .039 0 |
|
|
| 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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|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chukanovite |
| |
Pekov I V, Perchiazzi N, Merlino S, Kalachev V N, Merlini M, Zadov A E |
| |
European Journal of Mineralogy 19 (2007) 891-898 |
|
Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino |
|
Locality: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia |
|
_database_code_amcsd 0007252 |
|
12.396 9.407 3.2152 90 97.78 90 P2_1/a |
|
atom x y z Biso |
|
Fe1 .2114 .0005 .979 1.12 |
|
Fe2 .3983 .7675 .554 1.12 |
|
C .143 -.265 .493 3 |
|
O1 .139 -.135 .368 1.6 |
|
O2 .233 -.332 .546 1.6 |
|
O3 .055 -.328 .556 1.6 |
|
OH4 .379 .900 .058 1.6 |
|
OH5 .427 .619 .132 1.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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 |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
Sr1b .8229 .6342 .1516 .393 .063 |
|
Sr1c .8672 .6894 .1497 .299 .0345 |
|
Sr2 .3482 .6455 .2819 .330 .0410 |
|
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 |
|
O3 .6826 .6689 .102 .065 |
|
O4 .6101 .3629 .209 .039 |
|
O5 .3426 .5142 .3396 .060 |
|
O6 .5496 .4497 .1925 .021 |
|
O7 .4800 .3112 .331 .043 |
|
O8 .2533 .3865 .193 .041 |
|
O9 .3254 .4963 -.008 .044 |
|
O10 .4035 .4451 .1740 .029 |
|
O11 .4592 .5475 -.120 .056 |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
Si4 .38388 .54418 -.1438 .0193 |
|
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 |
|
O6 .5339 .4418 .2033 .0264 |
|
O7 .4813 .3134 .3367 .0195 |
|
O8 .2544 .3827 .2013 .0302 |
|
O9 .3239 .4970 .0022 .0357 |
|
O10 .4010 .4477 .1735 .0292 |
|
O11 .4601 .5487 -.1112 .0252 |
|
O12 .3817 .6229 -.1456 .050 |
|
Wat1 .8326 .7871 .2289 .0345 |
|
Wat2 .6972 .5293 .2186 .045 |
|
Wat3 .4609 .6694 .2128 .058 |
|
Wat4 .9668 .6748 .1892 .048 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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 |
|
Ca1a 0 0 .65406 .769 .0440 |
|
Ca1b 0 0 .570 .057 .044 |
|
Zr 0 0 .05443 .01018 |
|
Si .41057 .41756 .52857 .01112 |
|
O1 .0922 .1779 .8848 .0161 |
|
O2 -.0929 -.1912 .1900 .0167 |
|
O3 .6588 .0166 .0176 .0189 |
|
Wat .0112 .2011 .5025 .0644 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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 |
|
Pb1a 0 0 .647926 .801 .02456 |
|
Na1a 0 0 .647926 .179 .02456 |
|
Pb1b 0 0 .456 .020 .016 |
|
Zr 0 0 .06932 .0109 |
|
Si .40987 .41728 .53671 .0132 |
|
O1 .0923 .1772 .8923 .0179 |
|
O2 -.0923 -.1913 .2001 .0194 |
|
O3 .6607 .0182 .0231 .0220 |
|
Wat .0127 .2422 .5170 .95 .046 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Balliranoite |
 |
Chukanov N V, Zubkova N V, Pekov I V, Olysych L V, Bonaccorsi E, |
|
Pushcharovsky D Y |
| |
European Journal of Mineralogy 22 (2010) 113-119 |
|
Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral |
|
from Monte Somma - Vesuvio volcanic complex, Italy |
|
Locality: Monte Somma, Italy |
|
_database_code_amcsd 0007335 |
|
12.695 12.695 5.325 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
NaM .1181 .2424 .2786 .581 .0560 |
|
CaM .1181 .2424 .2786 .060 .0560 |
|
KM .1181 .2424 .2786 .089 .0560 |
|
NaM’ .1537 .3136 .2744 .215 .073 |
|
CaM’ .1537 .3136 .2744 .022 .073 |
|
KM’ .1537 .3136 .2744 .033 .073 |
|
Ca 2/3 1/3 .21614 .0230 |
|
Si .32774 .40839 .7500 .00996 |
|
Al .06985 .40885 .75030 .01012 |
|
O(1) .21314 .42747 .7131 .0250 |
|
O(2) .09954 .55634 .7423 .0193 |
|
O(3) .00565 .32843 .0267 .0232 |
|
O(4) .31568 .33819 .0107 .0217 |
|
Cl 1/3 2/3 .2176 .58 .082 |
|
Cl’ .311 .6326 .222 .14 .062 |
|
S 0 0 .247 .15 .0416 |
|
O(S1) 0 0 .952 .15 .046 |
|
O(S2) .064 .119 .387 .15 .121 |
|
C(1) 0 0 .1496 .30 .048 |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Shlykovite |
| |
Zubkova N V, Filinchuk Y E, Pekov I V, Pushcharovsky D Y, Gobechiya E R |
| |
European Journal of Mineralogy 22 (2010) 547-555 |
|
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 0017556 |
|
6.4897 6.9969 26.714 90 94.597 90 P2_1/c |
|
atom x y z Uiso |
|
K -.2533 .8663 .37057 .0391 |
|
Ca .0189 .8392 .24336 .0210 |
|
Si1 .0011 .8447 .08283 .0190 |
|
Si2 .2318 .0640 .35444 .0205 |
|
Si3 .4083 .8447 .15613 .0215 |
|
Si4 .2350 .6265 .35640 .0196 |
|
O1 -.0897 .0496 .1005 .043 |
|
O2 .5482 .6525 .1562 .0317 |
|
O3 .1468 .1689 .4040 .0285 |
|
OH4 -.0340 .1558 -.0233 .0332 |
|
O5 .2810 .8491 .3730 .0230 |
|
O6 .1256 .6019 .3012 .0259 |
|
O7 .3315 .8941 .2101 .0277 |
|
O8 .0649 .0753 .3073 .0297 |
|
O9 .2270 .8010 .1136 .039 |
|
O10 .5390 .0191 .1335 .0273 |
|
Wat1 -.3252 .7724 .2731 .042 |
|
Wat2 -.265 .601 -.0265 .116 |
|
Wat3 .3528 .6823 -.0143 .039 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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 |
|
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 |
|
Si2 .4156 .5747 .16335 .0091 |
|
Si3 -.2152 .8568 .17356 .0101 |
|
Si4 .1402 .8539 .11015 .0102 |
|
O1 .2820 .5798 .20226 .0134 |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Stronadelphite |
| |
Pekov I V, Britvin S N, Zubkova N V, Pushcharovsky D Y, Pasero M, Merlino S |
| |
European Journal of Mineralogy 22 (2010) 869-874 |
|
Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral |
|
Locality: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr, |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Langbanshyttanite |
| |
Chukanov N V, Pekov I V, Johsson E, Zubkova N V, Filinchuk Y E, |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Perraultite |
 |
Yamnova N A, Egorov-Tismenko Y K, Pekov I V |
|   |
Crystallography Reports 43 (1998) 401-410 |
|
Crystal structure of perraultite from the coastal region of the Sea of Azov |
|
Locality: Sea of Azov, Mariupol massif, Ukraine |
|
_database_code_amcsd 0012356 |
|
10.731 13.841 20.845 90 95.06 90 C2 |
|
atom x y z occ Biso |
|
BaA1 0 .0265 0 .68 |
|
BaA2 0 .5666 0 .5 .70 |
|
KA2 0 .5666 0 .4 .70 |
|
BaA3 .7603 .7809 .4996 .5 .93 |
|
KA3 .7603 .7809 .4996 .4 .93 |
|
NaA4 0 .542 .5 .70 |
|
NaA5 0 .036 .5 .5 .97 |
|
CaA5 0 .036 .5 .5 .97 |
|
NaA6 .252 .776 .0025 .75 .88 |
|
CaA6 .252 .776 .0025 .25 .88 |
|
FeM1 .8729 .0344 .2554 1.43 |
|
MnM2 .8759 .2712 .2446 1.46 |
|
FeM3 .8776 .5252 .2558 .97 |
|
MnM4 .8735 .7768 .2447 .8 .77 |
|
ZrM4 .8735 .7768 .2447 .15 .77 |
|
FeM4 .8735 .7768 .2447 .05 .77 |
|
MnM5 .1236 .4158 .2533 .9 1.35 |
|
FeM6 .1194 .8963 .2422 .65 |
|
MnM7 .1214 .1487 .2470 .44 |
|
MnM8 .1227 .6536 .2498 .97 |
|
Ti1 .7420 .0102 .4041 .90 |
|
Ti2 .7229 .5433 .3972 .70 |
|
Ti3 .0157 .2512 .1016 .92 .32 |
|
Nb3 .0157 .2512 .1016 .08 .32 |
|
Ti4 .0151 .7930 .1014 .92 .19 |
|
Nb4 .0151 .7930 .1014 .08 .19 |
|
Si1 .9739 .1739 .3803 1.0 |
|
Si2 .9799 .6550 .3797 1.2 |
|
Si3 .2587 .4184 .1174 .6 |
|
Si4 .2890 .9246 .1201 .9 |
|
Si5 .280 .1364 .1204 .7 |
|
Si6 .255 .6332 .1195 1.5 |
|
Si7 .984 .3977 .3847 .8 |
|
Si8 .980 .8808 .3788 1.0 |
|
OH1 0 .799 0 .8 |
|
OH2 .034 .023 .2058 .5 1.2 |
|
F2 .034 .023 .2058 .5 1.2 |
|
OH3 .200 .791 .2933 .5 1.3 |
|
F3 .200 .791 .2933 .5 1.3 |
|
O4 .971 .398 .3049 .8 |
|
OH5 0 .235 0 1.1 |
|
O6 .267 .409 .195 1.2 |
|
O7 .967 .1565 .3051 1.3 |
|
O8 .285 .649 .196 .5 |
|
O9 .297 .137 .202 1.5 |
|
O10 .152 .893 .087 1.2 |
|
O11 .391 .3907 .0857 1.3 |
|
O12 .967 .644 .298 1.5 |
|
O13 .290 .9073 .1978 1.4 |
|
OH14 .039 .537 .2062 .5 1.9 |
|
F14 .039 .537 .2062 .5 1.9 |
|
O15 .962 .898 .3026 .8 |
|
OH16 .7652 .0084 .5030 .5 |
|
OH17 .717 .779 .2963 .5 1.2 |
|
F17 .717 .779 .2963 .5 1.2 |
|
O18 .383 .2045 .0840 1.0 |
|
O19 .726 .031 .3084 1.4 |
|
O20 .024 .791 .1831 1.0 |
|
O21 .144 .700 .0847 .9 |
|
O22 .033 .268 .1899 .5 |
|
O23 .710 .523 .3133 1.4 |
|
O24 .327 .027 .1000 .6 |
|
O25 .854 .644 .4197 1.7 |
|
O26 .606 .955 .4159 1.6 |
|
O27 .123 .633 .4203 1.5 |
|
O28 .857 .894 .4164 1.2 |
|
O29 .378 .843 .0878 1.6 |
|
O30 .887 .105 .4154 2.3 |
|
O31 .092 .107 .4136 1.6 |
|
O32 .603 .437 .4139 1.7 |
|
O33 .148 .3460 .0855 .6 |
|
O34 .137 .1516 .0872 .4 |
|
O35 .867 .451 .4133 .6 |
|
O36 .209 .523 .0981 1.2 |
|
O37 .036 .282 .3988 1.9 |
|
O38 .022 .768 .4005 1.8 |
|
O39 .390 .649 .0886 1.1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Labuntsovite-Mn |
| |
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P |
|   |
Crystallography Reports 43 (1998) 820-827 |
|
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry |
|
of minerals of the labuntsovite-nenadkevichite family |
|
Sample: I |
|
_database_code_amcsd 0012358 |
|
14.42 13.91 7.8 90 116.9 90 C2/m |
|
atom x y z occ Biso |
|
NaAI .4084 .2640 .0051 .5 4.6 |
|
KAII .4175 0 .7010 .9 5.6 |
|
TiMI1 .25 .25 .5 .8 2.07 |
|
NbMI1 .25 .25 .5 .2 2.07 |
|
TiMI2 0 .2257 .5 .8 1.91 |
|
NbMI2 0 .2257 .5 .2 1.91 |
|
MnMII 0 0 .5 .2 2.1 |
|
Si1 .3213 .1106 .2503 1.19 |
|
Si2 .2074 .1096 .8011 1.16 |
|
O1 .0834 .1220 .6799 1.7 |
|
O2 .2735 .1805 .7365 1.5 |
|
O3 .2648 .1279 .3837 1.6 |
|
O4 .3643 0 .2775 1.7 |
|
O5 .2404 0 .7757 1.7 |
|
O6 .4214 .1782 .3052 1.8 |
|
O7 .2371 .1262 .0262 1.9 |
|
OH .0999 .2252 .3958 1.7 |
|
KAIII .0862 0 .3396 .8 3.3 |
|
WatAIII .0862 0 .3396 .2 3.3 |
|
Ow1 .5 .1445 0 9.5 |
|
Ow2 0 .1239 0 9.6 |
|
H1 .481 .118 .89 1 |
|
H2 .049 .133 .10 5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Labuntsovite-Fe |
| |
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P |
|   |
Crystallography Reports 43 (1998) 820-827 |
|
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry |
|
of minerals of the labuntsovite-nenadkevichite family |
|
Sample: II |
|
_database_code_amcsd 0012359 |
|
14.33 13.83 7.79 90 117.1 90 C2/m |
|
atom x y z occ Biso |
|
NaAI .4068 .2665 .007 .5 3.9 |
|
NaAII .4190 0 .7022 .125 5.3 |
|
KAII .4190 0 .7022 .75 5.3 |
|
TiMI1 .25 .25 .5 .9 2.46 |
|
NbMI1 .25 .25 .5 .1 2.46 |
|
TiMI2 0 .2247 .5 .9 2.45 |
|
NbMI2 0 .2247 .5 .1 2.45 |
|
FeMII 0 0 .5 .0625 2.6 |
|
MnMII 0 0 .5 .0625 2.6 |
|
MgMII 0 0 .5 .025 2.6 |
|
Si1 .3225 .1107 .2520 1.65 |
|
Si2 .2080 .1094 .8017 1.60 |
|
O1 .0829 .1201 .6801 2.2 |
|
O2 .2743 .1824 .7376 1.9 |
|
O3 .2657 .1259 .3876 2.0 |
|
O4 .3667 0 .2769 2.1 |
|
O5 .2431 0 .7764 2.2 |
|
O6 .4209 .1803 .3026 2.2 |
|
O7 .2363 .1262 .0271 2.2 |
|
OH .1013 .2229 .3965 2.0 |
|
KAIII .0839 0 .3363 .65 2.24 |
|
BaAIII .0839 0 .3363 .2 2.24 |
|
WatAIII .0839 0 .3363 .15 2.24 |
|
Ow1 .5 .1425 0 10.3 |
|
Ow2 0 .1175 0 10.7 |
|
H1 .479 .119 .89 3 |
|
H2 .051 .131 .09 4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Burbankite |
 |
Belovitskaya Yu V, Pekov I V, Kabalov Yu K |
|   |
Crystallography Reports 45 (2000) 26-29 |
|
Refinement of the crystal structures of low-rare-earth |
|
and "typical" burbankites by the Rietveld method |
|
Locality: Khibiny Massif, Kola Peninsula, Russia |
|
Sample: B-108 |
|
Note: x02 adjusted to satisfy symmetry constraints |
|
_database_code_amcsd 0012365 |
|
10.5313 10.5313 6.4829 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) |
|
NaA .5237 .4763 .319 .728 1.7 .006 .006 .011 0 .003 -.003 |
|
CaA .5237 .4763 .319 .231 1.7 .006 .006 .011 0 .003 -.003 |
|
YA .5237 .4763 .319 .01 1.7 .006 .006 .011 0 .003 -.003 |
|
SrB .8410 .1590 0 .633 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
BaB .8410 .1590 0 .106 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
CeB .8410 .1590 0 .074 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
LaB .8410 .1590 0 .038 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
NdB .8410 .1590 0 .016 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
PrB .8410 .1590 0 .006 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
CaB .8410 .1590 0 .047 .88 .0021 .0021 .0091 .0010 .001 -.001 |
|
C1 .799 .201 .53 2.7 |
|
C2 0 0 .85 2.0 |
|
C3 1/3 2/3 .49 2.0 |
|
O1 .376 .088 .628 1.6 |
|
O2 .930 .070 .352 2.9 |
|
O3 .406 .594 .49 1.7 |
|
O4 .770 .230 .358 3.1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Burbankite |
 |
Belovitskaya Yu V, Pekov I V, Kabalov Yu K |
|   |
Crystallography Reports 45 (2000) 26-29 |
|
Refinement of the crystal structures of low-rare-earth |
|
and "typical" burbankites by the Rietveld method |
|
Locality: Khibiny Massif, Kola Peninsula, Russia |
|
Sample: B-104 |
|
_database_code_amcsd 0012366 |
|
10.5263 10.5263 6.5392 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) |
|
NaA .5230 .4770 .316 .620 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
|
CaA .5230 .4770 .316 .340 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
|
YA .5230 .4770 .316 .006 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
|
SrB .8430 .1570 0 .717 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
|
BaB .8430 .1570 0 .126 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
|
CaB .8430 .1570 0 .037 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
|
LaB .8430 .1570 0 .017 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
|
CeB .8430 .1570 0 .006 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
|
C1 .796 .204 .549 2.4 |
|
C2 0 0 .852 1.6 |
|
C3 1/3 2/3 .49 2.2 |
|
O1 .382 .087 .631 1.7 |
|
O2 .9292 .0708 .362 2.3 |
|
O3 .4048 .5952 .482 1.9 |
|
O4 .774 .226 .355 2.1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kuzmenkoite-Mn |
| |
Rastsvetaeva R K, Chukanov N V, Pekov I V |
|   |
Crystallography Reports 45 (2000) 759-761 |
|
Refined crystal structure of kuzmenkoite |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012368 |
|
14.369 13.906 7.812 90 117.09 90 Cm |
|
atom x y z occ Biso |
|
K1 .0945 0 .336 .27 3.5 |
|
Ba1 .0945 0 .336 .03 3.5 |
|
K2 .5725 .0393 .2865 .41 3.6 |
|
K3 .4275 .0543 .731 .21 3.3 |
|
Na3 .4275 .0543 .731 .09 3.3 |
|
K4 .518 .112 .027 .06 5.0 |
|
TiM1 .0000 .2301 .5000 .9 1.22 |
|
NbM1 .0000 .2301 .5000 .1 1.22 |
|
TiM2 .2510 .2511 .5028 .8 1.02 |
|
FeM2 .2510 .2511 .5028 .2 1.02 |
|
Mn -.0024 0 .5017 .56 1.25 |
|
Nb -.0024 0 .5017 .14 1.25 |
|
Si1 .1830 .3892 .7538 .43 |
|
Si2 .8170 .6109 .2476 1.16 |
|
Si3 .2932 .3906 .1963 .63 |
|
Si4 .7064 .6099 .8027 .83 |
|
O .497 .346 .011 .325 5.1 |
|
H3O .497 .346 .011 .325 5.1 |
|
O1 .0835 .3221 .6918 1.5 |
|
O2 .2399 .3717 .6203 .9 |
|
O3 .7696 .6790 .7304 1.5 |
|
O4 .4176 .3791 .3275 .5 |
|
O5 .3563 0 .2724 .7 |
|
O6 .2665 .3723 .9740 1.2 |
|
O7 .2409 0 .786 1.3 |
|
O8 .9193 .6794 .3107 1.1 |
|
O9 .7617 .6288 .3832 1.3 |
|
O10 .2264 .3192 .2621 .8 |
|
O11 .5816 .6204 .6710 1.8 |
|
O12 .1411 .5 .7335 2.2 |
|
O13 .7324 .6303 .0244 1.5 |
|
O14 .2578 .5 .2123 1.3 |
|
OH1 .0999 .2306 .6059 .9 |
|
OH2 .0994 .7722 .3918 1.3 |
|
Wat1 .896 0 .656 .80 2.7 |
|
Wat2 .491 .139 -.048 .50 9.3 |
|
Wat3 .977 .162 .980 .35 1.7 |
|
Wat4 .085 0 .333 .70 3.1 |
|
Wat5 .531 .119 .129 .20 1.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Litvinskite |
| |
Yamnova N A, Egorov-Tismenko Y K, Pekov I V, Ekimenkova I A |
|   |
Crystallography Reports 46 (2001) 190-193 |
|
Crystal structure of litvinskite: A new natural member of the lovozerite group |
|
Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012370 |
|
10.589 10.217 7.355 90 92.91 90 Cm |
|
atom x y z occ Biso |
|
NaA1 .003 0 .497 .78 4.4 |
|
NaA2 .754 .252 -.004 .77 4.1 |
|
KA2 .754 .252 -.004 .005 4.1 |
|
WatA2 .754 .252 -.004 .225 4.1 |
|
NaC .747 0 .254 .19 4.2 |
|
MnC .747 0 .254 .14 4.2 |
|
CaC .747 0 .254 .01 4.2 |
|
FeC .747 0 .254 .01 4.2 |
|
ZrM 0 0 0 .96 2.70 |
|
TiM 0 0 0 .01 2.70 |
|
HfM 0 0 0 .01 2.70 |
|
Si1 .4905 .2203 .2866 .97 3.15 |
|
Al1 .4905 .2203 .2866 .03 3.15 |
|
Si2 .2900 0 .2614 .97 3.3 |
|
Al2 .2900 0 .2614 .03 3.3 |
|
Si3 .5117 .2271 .7124 .97 2.8 |
|
Al3 .5117 .2271 .7124 .03 2.8 |
|
Si4 .7160 0 .7298 .97 2.7 |
|
Al4 .7160 0 .7298 .03 2.7 |
|
O1 .179 0 .109 5.1 |
|
O2 .372 .1311 .238 5.8 |
|
O3 -.005 .245 .504 5.5 |
|
O4 .044 .142 .809 6.2 |
|
OH5 .381 .151 .765 8.5 |
|
OH6 .235 0 .471 7.0 |
|
O7 .810 0 .904 5.2 |
|
O8 .623 .121 .750 6.0 |
|
O9 .961 .1435 .178 5.1 |
|
OH10 .618 .157 .220 5.7 |
|
OH11 .780 0 .543 5.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Calcioburbankite |
 |
Belovitskaya Y V, Pekov I V, Gobechiya E R, Kabalov Y K, Subbotin V V |
|   |
Crystallography Reports 46 (2001) 927-931 |
|
Crystal structure of calcioburbankite and the characteristic features of the |
|
burbankite structure type |
|
Locality: Vuoriyarvi, North Kareliya |
|
_database_code_amcsd 0012373 |
|
10.4974 10.4974 6.4309 90 90 120 P6_3mc |
|
atom x y z occ Biso |
|
NaA .5241 .4759 .317 .743 1.4 |
|
CaA .5241 .4759 .317 .163 1.4 |
|
CeA .5241 .4759 .317 .030 1.4 |
|
CeB .8406 .1594 0 .116 1.01 |
|
LaB .8406 .1594 0 .081 1.01 |
|
NdB .8406 .1594 0 .033 1.01 |
|
BaB .8406 .1594 0 .167 1.01 |
|
CaB .8406 .1594 0 .316 1.01 |
|
SrB .8406 .1594 0 .183 1.01 |
|
NaB .8406 .1594 0 .146 1.01 |
|
C1 .797 .203 .55 5 |
|
C2 0 0 .88 1 |
|
C3 1/3 2/3 .49 2 |
|
O1 .376 .088 .633 1.1 |
|
O2 .926 .074 .344 1.8 |
|
O3 .4037 .5963 .476 .5 |
|
O4 .776 .224 .359 1.8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lovozerite |
 |
Yamnova N A, Egorov-Tismenko Y K, Pekov I V |
|   |
Crystallography Reports 46 (2001) 937-941 |
|
Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0012374 |
|
10.18 10.18 13.13 90 90 120 R3 |
|
atom x y z occ Biso |
|
NaA .341 .172 .166 .73 4.3 |
|
KA .341 .172 .166 .03 4.3 |
|
CaC 0 0 .742 .35 6.2 |
|
NaC 0 0 .742 .20 6.2 |
|
MnC 0 0 .742 .08 6.2 |
|
ZrM 0 0 0 .80 2.9 |
|
FeM 0 0 0 .14 2.9 |
|
TiM 0 0 0 .03 2.9 |
|
HfM 0 0 0 .03 2.9 |
|
Si1 .4829 .5172 .2208 3.3 |
|
Si2 .1835 .3696 .0952 2.2 |
|
O1 .447 .224 -.003 7.3 |
|
O2 .555 .424 .248 .4 6.5 |
|
OH2 .555 .424 .248 .6 6.5 |
|
OH3 .208 .104 .325 3.1 |
|
O4 .336 .433 .159 8.8 |
|
O5 .101 .184 .091 3.1 |
|
O6 .601 .667 .161 4.9 |
|
WatB .002 .462 .006 .3 4.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Khanneshite |
 |
Belovitskaya Y V, Pekov I V, Gobechiya E R, Kabalov Y K, Schneider J |
|   |
Crystallography Reports 47 (2002) 39-42 |
|
Determination of the crystal structure of khanneshite by the Rietveld method |
|
Locality: Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012375 |
|
10.5790 10.5790 6.5446 90 90 120 P6_3mc |
|
atom x y z occ Biso |
|
NaA .5246 .4754 .308 .86 1.1 |
|
CaA .5246 .4754 .308 .14 1.1 |
|
SrB .8403 .1597 0 .21 .85 |
|
BaB .8403 .1597 0 .36 .85 |
|
CeB .8403 .1597 0 .16 .85 |
|
LaB .8403 .1597 0 .06 .85 |
|
NdB .8403 .1597 0 .05 .85 |
|
PrB .8403 .1597 0 .01 .85 |
|
CaB .8403 .1597 0 .15 .85 |
|
C1 .799 .201 .541 1.4 |
|
C2 0 0 .838 1.0 |
|
C3 1/3 2/3 .50 3.0 |
|
O1 .379 .085 .629 1.6 |
|
O2 .928 .072 .344 3.7 |
|
O3 .405 .595 .486 1.9 |
|
O4 .774 .226 .359 2.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ancylite-(Ce) |
 |
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K, |
|
Chukanov N V, Schneider J |
|   |
Crystallography Reports 47 (2002) 223-228 |
|
Crystal structures of two ancylite modifications |
|
Locality: Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia |
|
Sample: Specimen 52 |
|
_database_code_amcsd 0012378 |
|
5.0634 8.5898 7.2781 90 90 90 Pmc2_1 |
|
atom x y z occ Biso |
|
SrM1 0 .0977 .6437 .97 .48 |
|
CaM1 0 .0977 .6437 .02 .48 |
|
BaM1 0 .0977 .6437 .01 .48 |
|
CeM2 .5 .5897 .8475 .52 .66 |
|
LaM2 .5 .5897 .8475 .28 .66 |
|
NdM2 .5 .5897 .8475 .11 .66 |
|
PrM2 .5 .5897 .8475 .04 .66 |
|
SmM2 .5 .5897 .8475 .01 .66 |
|
C1 0 .554 .191 1.9 |
|
C2 .5 .056 .308 1.8 |
|
O11 0 .418 .271 2.1 |
|
O12 .5 .919 .244 1.4 |
|
O21 .277 .122 .352 1.3 |
|
O22 .223 .617 .151 1.5 |
|
Wat31 0 .204 .992 .9 1.4 |
|
OH32 .5 .660 .516 .83 1.0 |
|
F32 .5 .660 .516 .13 1.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ancylite-(Ce) |
 |
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K, |
|
Chukanov N V, Schneider J |
|   |
Crystallography Reports 47 (2002) 223-228 |
|
Crystal structures of two ancylite modifications |
|
Locality: Tulilukht Bay, Khibiny massif, Kola Peninsula, Russia |
|
Sample: Specimen 54 |
|
_database_code_amcsd 0012379 |
|
5.0577 8.5665 7.3151 90 90 90 Pmcn |
|
atom x y z occ Biso |
|
SrM .25 .3409 .6482 .40 .96 |
|
CaM .25 .3409 .6482 .025 .96 |
|
BaM .25 .3409 .6482 .005 .96 |
|
CeM .25 .3409 .6482 .31 .96 |
|
LaM .25 .3409 .6482 .20 .96 |
|
NdM .25 .3409 .6482 .045 .96 |
|
PrM .25 .3409 .6482 .015 .96 |
|
C .75 .1961 .8154 3.7 |
|
O1 .75 .3286 .7336 2.7 |
|
O2 .5266 .1223 .8525 1.2 |
|
OH3 .25 .4183 .9736 .425 2.7 |
|
F3 .25 .4183 .9736 .075 2.7 |
|
Wat3 .25 .4183 .9736 .5 2.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tisinalite |
 |
Yamnova N A, Egorov-Tismenko Y K, Pekov I V, Shchegol'kova L V |
|   |
Crystallography Reports 48 (2003) 551-556 |
|
Crystal structure of tisinalite Na2(Mn,Ca)1-x(Ti,Zr,Nb,Fe3+)[Si6O8(O,OH)10] |
|
Locality: Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012385 |
|
10.036 10.036 12.876 90 90 120 P-3 |
|
atom x y z occ Uiso |
|
NaA1 .5 .0 .5 .68 .0205 |
|
NaA2 .3352 .1681 .1647 .70 .0473 |
|
MnC1 1/3 2/3 .9174 .23 .073 |
|
CaC1 1/3 2/3 .9174 .08 .073 |
|
MnC2 1/3 2/3 .4228 .17 .029 |
|
CaC2 1/3 2/3 .4228 .09 .029 |
|
MnC3 0 0 .7570 .23 .047 |
|
CaC3 0 0 .7570 .02 .047 |
|
TiM1 0 0 0 .64 .0350 |
|
Fe3+M1 0 0 0 .36 .0350 |
|
TiM2 1/3 2/3 .6667 .38 .0189 |
|
ZrM2 1/3 2/3 .6667 .21 .0189 |
|
NbM2 1/3 2/3 .6667 .20 .0189 |
|
Si1 .6385 .81932 .1032 .0314 |
|
Si2 .8487 .6975 .4349 .0296 |
|
Si3 .9701 .4849 .7679 .0281 |
|
O1 .9118 .8194 .9092 .066 |
|
O2 .5138 .7612 .5758 .054 |
|
O3 .5681 .1517 .2440 .065 |
|
OH4 .8967 .7853 .3252 .077 |
|
OH5 .8858 .4408 .6573 .073 |
|
OH6 .5509 .7757 -.0069 .064 |
|
O7 .7391 .7398 .5004 .076 |
|
O8 -.0746 .3356 .8344 .082 |
|
O9 .5874 .6641 .1672 .082 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-K |
| |
Yakubovich O V, Massa W, Gavrilenko P G, Pekov I V |
|   |
Crystallography Reports 50 (2005) 544-553 |
|
Crystal structure of chabazite K |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
Sample: T = 193 K |
|
_database_code_amcsd 0012392 |
|
13.831 13.831 15.023 90 90 120 R-3m |
|
atom x y z occ |
|
K1 2/3 1/3 .0613 .5502 |
|
K2 2/3 1/3 .0268 .1164 |
|
Na1 0 0 .0998 .354 |
|
Na2 .6341 .31705 .0939 .052 |
|
Ca .1166 -.1166 -.0379 .140 |
|
Al .10485 .43831 .06199 .333 |
|
Si .10485 .43831 .06199 .667 |
|
O1 .42743 .213715 -.03306 |
|
O2 .34846 0 0 |
|
O3 .07040 .40373 1/6 |
|
O4 .56780 .13559 -.04210 |
|
Wat5 .343 .1715 .188 .314 |
|
Wat6 .1380 0 0 .394 |
|
Wat7 2/3 1/3 5/6 .036 |
|
Wat8 .142 .071 .063 .162 |
|
Wat9 .0900 -.0900 .1627 .284 |
|
Wat10 .0186 -.1422 .1498 .328 |
|
Wat11 1/3 .1965 1/6 .188 |
|
Wat12 0 0 .067 .072 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tveitite |
| |
Yakubovich O V, Massa W, Pekov I V, Gavrilenko P G |
|   |
Crystallography Reports 52 (2007) 71-79 |
|
Crystal structure of tveitite-(Y): fractionation of rare-earth elements |
|
between positions and the variety of defects |
|
Locality: Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia |
|
_database_code_amcsd 0012393 |
|
17.020 17.020 9.679 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
YA1 .87106 .01720 .82517 .883 .0105 |
|
NaA1 .87106 .01720 .82517 .11 .0105 |
|
CaA2 .76076 .03251 .16022 .841 .0141 |
|
NdA2 .76076 .03251 .16022 .159 .0141 |
|
CaA3 .73790 .89618 .49980 .716 .0110 |
|
NaA3 .73790 .89618 .49980 .204 .0110 |
|
HoA3 .73790 .89618 .49980 .080 .0110 |
|
CaA4 0 0 .5 .092 .0169 |
|
NaA4 0 0 .5 .074 .0169 |
|
F1 .8716 .0188 .5855 .0176 |
|
F2 .7325 .8969 .7449 .0173 |
|
F3 .8902 .1570 .7483 .0148 |
|
F4 .7553 .0365 .4113 .0165 |
|
F5 .7503 .0331 .9058 .0181 |
|
F6 .8044 .9184 .9981 .72 .0271 |
|
F7 .8898 .9032 .7646 .71 .0350 |
|
F8 .8593 .8765 .9171 .30 .018 |
|
F9 0 0 .929 .06 .030 |
|
F10 0 0 .750 .10 .021 |
|
F11 .001 .029 .973 .06 .033 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pezzottaite |
| |
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V |
|   |
Crystallography Reports 54 (2009) 399-412 |
|
Alkali metals in beryl and their role in the formation of derivative structural motifs: |
|
Comparative crystal chemistry of vorobyevite and pezzottaite |
|
Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar |
|
Note: T = 100 K |
|
_database_code_amcsd 0012413 |
|
15.955 15.955 27.810 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cs1 0 0 .08211 .725 .0109 |
|
Cs2 0 0 .25 .799 .0147 |
|
Na1 0 0 0 .275 .016 |
|
Na2 0 0 .1642 .201 .054 |
|
Al1 2/3 .00060 1/12 .0051 |
|
Al2 -.00537 1/3 1/12 .0048 |
|
Be .3379 .1704 .08405 .0092 |
|
Li .5029 .5029 .75 |
|
Si1 .04514 .21958 -.00087 .0047 |
|
Si2 .21996 .05024 .16537 .0043 |
|
Si3 .04988 -.17024 .16640 .0043 |
|
O1 .2763 .0641 .21529 .0093 |
|
O2 .0700 .2807 -.05057 .0094 |
|
O3 .0606 -.2284 .12294 .0132 |
|
O4 .2888 .0738 .11915 .0088 |
|
O5 .0522 .2824 .04492 .0127 |
|
O6 .0680 -.2048 .21771 .0097 |
|
O7 -.0587 .1201 -.00490 .0104 |
|
O8 -.0534 -.1736 .16590 .0093 |
|
O9 .1265 -.0561 .16022 .0112 |
|
Wat10 -.038 -.038 .25 .071 .10 |
|
Wat11 .026 .003 .084 .107 .099 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Beryl |
 |
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V |
|   |
Crystallography Reports 54 (2009) 399-412 |
|
Alkali metals in beryl and their role in the formation of derivative structural motifs: |
|
Comparative crystal chemistry of vorobyevite and pezzottaite |
|
Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia |
|
Note: T = 100 K |
|
Note: variety vorobyevite |
|
Note: Coordinates of O1 and O2 corrected by Yakubivich |
|
_database_code_amcsd 0012414 |
|
9.2101 9.2101 9.2179 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Cs 0 0 .25 .079 .0322 |
|
Wat 0 0 .25 .19 .0322 |
|
Na1 0 0 0 .155 .014 |
|
Na2 .204 .159 .231 .010 .046 |
|
Na3 .095 .118 .201 .012 .046 |
|
Li .5 0 .25 .22 .0090 |
|
Be .5 0 .25 .78 .0090 |
|
Al 2/3 1/3 .25 .0082 |
|
Si .38846 .11726 0 .0083 |
|
O1 .49888 .14661 .14500 .0107 |
|
O2 .23580 -.07170 0 .0121 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Elpidite-Rb |
| |
Grigor'eva A A, Zubkova N V, Pekov I V, Kolitsch U, Pushcharovsky D Y, |
|
Vigasina M F, Giester G,Dordevic T, Tillmanns E, Chukanov N V |
|   |
Crystallography Reports 56 (2011) 832-841 |
|
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) |
|
and its K- and Rb-exchanged forms |
|
Locality: Kahn Bogdo, Mongolia |
|
Note: Rb-exchanged at 150 deg C |
|
_database_code_amcsd 0018524 |
|
14.2999 14.4408 14.7690 90 90 90 Cmca |
|
atom x y z occ Uiso |
|
Rb(1) .5 .2509 .5093 .079 .035 |
|
Rb(2) .5 .13663 .58254 .75 .0340 |
|
Rb(3) .0 .3638 .07055 .61 .0377 |
|
Rb(4) .0 .386 .0733 .22 .073 |
|
Rb(5) .5 .1391 .597 .11 .099 |
|
Na .25 .236 .75 .06 .067 |
|
Zr .25 .25 .5 .01018 |
|
Si(1) .39070 .10779 .36275 .01381 |
|
Si(2) .38954 .38148 .65364 .01386 |
|
Si(3) .24382 .04903 .64483 .01324 |
|
O(1) .1522 .1960 .40971 .0254 |
|
O(2) .1521 .01643 .3665 .0249 |
|
O(3) .25 .0803 .75 .0270 |
|
O(4) .2332 .13556 .58132 .0253 |
|
O(5) .0 .1084 .3670 .0296 |
|
O(6) .3371 -.0103 .6221 .0249 |
|
O(7) .3751 .3566 .75949 .0280 |
|
O(8) .3624 .1858 .43343 .0223 |
|
O(9) .5 .0790 .3775 .0244 |
|
Wat(1) .0648 .3294 .2436 .404 .043 |
|
Wat(2) .0 .190 .733 .10 .041 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nenadkevichite |
 |
Rastsvetaeva R K, Chukanov N V, Pekov I V |
|   |
Doklady Akademii Nauk SSSR 357 (1997) 364-367 |
|
Crystal structure of a new mineral - titanium analog of orthorhombic |
|
nenadkevichite |
|
_database_code_amcsd 0012492 |
|
7.350 14.153 7.124 90 90 90 Pbam |
|
atom x y z occ Biso |
|
Na1 .2636 .2513 0 .51 2.9 |
|
Na2 .1979 .0244 .5 .50 3.6 |
|
Na3 .192 .005 .5 .08 7.9 |
|
TiM .2856 .2590 .5 .7 1.54 |
|
NbM .2856 .2590 .5 .3 1.54 |
|
Si .0103 .3897 .2252 1.45 |
|
O1 .0121 .3816 0 2.8 |
|
O2 0 .5 .2838 3.7 |
|
O3 .1950 .3454 .3049 2.6 |
|
O4 .3323 .1625 .3040 2.5 |
|
O5 .0160 .1991 .5 1.8 |
|
Ow6 .016 .1616 0 .93 7.5 |
|
Ow7 0 0 .273 .92 7.9 |
|
H1 .080 0 .150 3.0 |
|
H2 .032 .148 .087 3.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Thomsonite-Sr |
| |
Gurbanova O A, Rastsvetaeva R K, Pekov I V, Turchkova A G |
|   |
Doklady Akademii Nauk SSSR 376 (2001) 387-390 |
|
Crystal structure of strontium-rich thomsonite |
|
Locality: Khibiny alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0012495 |
|
13.050 13.123 13.241 90 90 90 Pcnn |
|
atom x y z occ Biso |
|
NaM .5061 .0578 .3613 .6 1.16 |
|
CaM .5061 .0578 .3613 .4 1.16 |
|
Sr .5 .5 .5 .52 1.66 |
|
Ca .0316 .003 .002 .24 2.0 |
|
Si1 .25 .25 .6906 .66 |
|
Si2 .3044 .1128 .0024 .55 |
|
Si3 .3841 .3062 .3754 .90 |
|
Al1 .75 .25 .6874 .96 1.1 |
|
SiAl1 .75 .25 .6874 .04 1.1 |
|
Al2 .3038 .1202 .4931 .96 1.15 |
|
SiAl2 .3038 .1202 .4931 .04 1.15 |
|
Al3 .6234 .3094 .3826 .96 .87 |
|
SiAl3 .6234 .3094 .3826 .04 .87 |
|
O1 .3142 .1686 .6185 1.6 |
|
O2 .6967 .1585 .6133 1.2 |
|
O3 .3299 .3190 .7565 1.3 |
|
O4 .6570 .3034 .7625 .8 |
|
O5 .3604 .0049 .496 1.1 |
|
O6 .6311 .1823 .4239 1.9 |
|
O7 .3852 .1889 .4186 1.0 |
|
O8 .8147 .1039 .4598 1.7 |
|
O9 .1799 .1196 .4533 1.2 |
|
O10 .9953 .1472 .8816 1.0 |
|
Wat1 .507 .1259 .1877 2.3 |
|
Wat2 .008 .1123 .1434 2.8 |
|
Wat3 .6518 0 .750 2.2 |
|
Wat4 .3438 0 .750 3.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tsepinite-K |
| |
Rosenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V, Verin I A |
|   |
Doklady Akademii Nauk SSSR 393 (2003) 784-787 |
|
Crystal structure of Sr-rich tsepinite |
|
_database_code_amcsd 0012497 |
|
14.490 14.23 7.881 90 117.28 90 Cm |
|
atom x y z occ Uiso |
|
K .499 .191 -.006 .21 .033 |
|
Na .452 .141 .825 .10 .014 |
|
Ca .452 .141 .825 .10 .014 |
|
Ti1 .0000 .2406 .5000 .7 .0249 |
|
Nb1 .0000 .2406 .5000 .3 .0249 |
|
Ti2 .2427 .2477 .4825 .7 .0296 |
|
Nb2 .2427 .2477 .4825 .3 .0296 |
|
Sr1 .0006 .0 .473 .20 .018 |
|
Sr2 .246 .0 .486 .14 .027 |
|
Sr3 .9206 .2401 -.004 .15 .038 |
|
Si1 .1991 .1098 .7833 .010 |
|
Si2 .7979 .1105 .1978 .025 |
|
Si3 .3085 .1088 .2211 .019 |
|
Si4 .6846 .1110 .7467 .014 |
|
O1 .244 .1286 .008 .037 |
|
O2 .761 .132 .981 .058 |
|
O3 .2666 .1604 .700 .029 |
|
O4 .7263 .1741 .273 .039 |
|
O5 .0993 .2398 .389 .008 |
|
O6 .904 .236 .593 .061 |
|
O7 .198 0 .742 .087 |
|
O8 .776 0 .219 .028 |
|
O9 .4233 .158 .305 .051 |
|
O10 .5832 .1756 .691 .028 |
|
O11 .251 .132 .342 .052 |
|
O12 .7499 .1463 .646 .030 |
|
O13 .322 0 .250 .12 |
|
O14 .6545 0 .728 .012 |
|
O15 .0849 .1308 .661 .018 |
|
O16 .9204 .148 .309 .066 |
|
Ba1 .442 0 .696 .04 .075 |
|
Wat1 .442 0 .696 .34 .075 |
|
Ba2 .586 0 .268 .03 .055 |
|
Wat2 .586 0 .268 .11 .055 |
|
Ba3 .916 0 .666 .07 .049 |
|
Wat3 .916 0 .666 .31 .049 |
|
Wat4 .112 0 .311 .38 .059 |
|
Wat5 .546 .090 .149 .36 .044 |
|
Wat6 .001 .162 .012 .40 .061 |
|
Wat7 .480 .155 .973 .20 .040 |
|
Wat8 .475 .041 .778 .11 .048 |
|
Wat9 .979 .089 .86 .22 .031 |
|
Wat10 .588 .265 .990 .15 .025 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kapustinite |
| |
Yamnova N A, Egorov-Tismenko Y K, Pekov I V, Shchegol'kova L V |
|   |
Doklady Akademii Nauk SSSR 396 (2004) 680-685 |
|
Crystal structure of kapustinite Na5.5Mn0.25Zr[Si6O16(OH)2] - a new mineral of |
|
the lovozerite group |
|
_database_code_amcsd 0012498 |
|
10.69 10.31 7.407 90 92.4 90 C2/m |
|
atom x y z occ Biso |
|
NaA1 0 0 .5 .96 2.8 |
|
NdA1 0 0 .5 .04 2.8 |
|
NaA2 .25 .25 0 .97 2.3 |
|
NdA2 .25 .25 0 .03 2.3 |
|
NaB1 0 .5 0 .75 2.4 |
|
NaB2 .25 .25 .5 .82 2.5 |
|
ZrC .2508 0 .7471 .13 1.1 |
|
MnC .2508 0 .7471 .12 1.1 |
|
ZrM 0 0 0 .65 1.10 |
|
TiM 0 0 0 .05 1.10 |
|
Si1 .4911 .2259 .2829 1.30 |
|
Si2 .2853 0 .2664 1.32 |
|
O1 .814 0 .921 .5 2.9 |
|
OH1 .814 0 .921 .5 2.9 |
|
O2 .785 0 .557 2.3 |
|
O3 .624 .1234 .756 2.7 |
|
O4 .052 .139 .808 2.5 |
|
O5 .616 .168 .213 .5 3.1 |
|
OH5 .616 .168 .213 .5 3.1 |
|
O6 0 .249 .5 2.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Alsakharovite-Zn |
| |
Rozenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V |
|   |
Doklady Chemistry 383 (2002) 110-113 |
|
New Zn-rich representative of the labuntsovite group: |
|
crystal structure and microtwinning |
|
Locality: Lovozero alkaline massif, Kola Peninsula, Russia |
|
Note: x-coordinate of O15 was changed |
|
_database_code_amcsd 0018493 |
|
14.491 13.911 7.822 90 117.59 90 Cm |
|
atom x y z occ Biso |
|
Ti(1) -.0002 .2316 .5002 .7 1.82 |
|
Nb(1) -.0002 .2316 .5002 .3 1.82 |
|
Ti(2) .2514 .2498 .4956 .7 1.92 |
|
Nb(2) .2514 .2498 .4956 .3 1.92 |
|
Si(1) .2114 .1082 .8006 1.6 |
|
Si(2) .7965 .1104 .1970 1.2 |
|
Si(3) .3201 .1099 .2438 1.7 |
|
Si(4) .6888 .1111 .7510 1.1 |
|
Zn .0012 0 .4978 .90 1.97 |
|
Fe .0012 0 .4978 .05 1.97 |
|
Mn .0012 0 .4978 .05 1.97 |
|
Na .923 .2367 .011 .5 3.0 |
|
Ca .923 .2367 .011 .5 3.0 |
|
Sr .5067 .1799 .003 .7 3.65 |
|
Na .5067 .1799 .003 .3 3.65 |
|
K .5757 0 .278 .5 5.8 |
|
Wat .5757 0 .278 .5 5.8 |
|
H .5757 0 .278 .5 5.8 |
|
Wat .429 0 .737 .47 10.2 |
|
H .429 0 .737 .47 10.2 |
|
O(1) .2418 .1290 .022 3.1 |
|
O(2) .7750 .1289 .979 1.6 |
|
O(3) .2730 .1789 .734 1.9 |
|
O(4) .7303 .1839 .265 1.9 |
|
O(5) .1020 .2317 .385 .65 1.2 |
|
OH(5) .1020 .2317 .385 .35 1.2 |
|
O(6) .905 .2293 .602 .65 3.1 |
|
OH(6) .905 .2293 .602 .35 3.1 |
|
O(7) .2478 0 .788 2.4 |
|
O(8) .7579 0 .207 1.8 |
|
O(9) .4201 .1763 .305 1.5 |
|
O(10) .5873 .1844 .696 3.2 |
|
O(11) .2685 .1264 .382 2.1 |
|
O(12) .7450 .1303 .619 1.8 |
|
O(13) .366 0 .274 3.0 |
|
O(14) .6485 0 .733 1.4 |
|
O(15) .0859 .1204 .668 1.4 |
|
O(16) .9194 .1144 .335 2.5 |
|
Wat(2) .015 .135 .002 7.3 |
|
Wat(3) .103 0 .349 7.0 |
|
Wat(4) .9077 0 .655 .9 4.3 |
|
Ba(4) .9077 0 .655 .1 4.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bushmakinite |
| |
Yakubovich O V, Massa V, Pekov I V |
|   |
Doklady Earth Sciences 382 (2002) 100-105 |
|
Crystal structure of the new mineral bushmakinite, |
|
Pb2{(Al,Cu)[PO4][(V,Cr,P)O4](OH)} |
|
Locality: Berezov gold ore deposit, Middle Urals, Russia |
|
Note: O2z changed to reproduce its bond lengths |
|
_database_code_amcsd 0012510 |
|
7.759 5.782 8.775 90 111.97 90 P2_1/m |
|
atom x y z occ Uiso |
|
Pb1 .2234 .25 .2624 .0334 |
|
Pb2 .7992 .25 .4038 .0316 |
|
AlM .5 0 0 .74 .0242 |
|
CuM .5 0 0 .26 .0242 |
|
VT1 .0698 .25 .8297 .52 .0189 |
|
CrT1 .0698 .25 .8297 .26 .0189 |
|
PT1 .0698 .25 .8297 .22 .0189 |
|
PT2 .4693 .25 .6703 .0195 |
|
O2 .272 .25 .548 .032 |
|
O3 .308 .25 .952 .028 |
|
O4 -.047 .25 .952 .030 |
|
O5 .008 .014 .706 .025 |
|
O6 .499 .026 .780 .024 |
|
O7 .607 .25 .577 .039 |
|
OH .665 .25 .070 .023 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Yegorovite |
| |
Zubkova N V, Pekov I V, Pushcharovskii D Y, Kazantsev S S |
|   |
Doklady Earth Sciences 427 (2009) 814-818 |
|
Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O |
|
Locality: Lovozero alkaline complex, Kola Peninsula, Russia |
|
_database_code_amcsd 0012513 |
|
9.8744 12.3981 14.8973 90 104.675 90 P2_1/c |
|
atom x y z Uiso |
|
Na1 .0532 .6184 .06992 .0275 |
|
Na2 .7635 .8608 .05829 .0286 |
|
Na3 .3045 .8923 .07159 .0311 |
|
Na4 .4902 .6251 .05502 .0298 |
|
Si1 .59375 .82135 .22737 .0138 |
|
Si2 .85409 .68222 .23240 .0125 |
|
Si3 .34122 .67253 .23305 .0138 |
|
Si4 .10049 .83149 .23761 .0152 |
|
O1 .0665 .4265 .0859 .0279 |
|
H1a .033 .412 .125 .005 |
|
H1b .134 .463 .106 .04 |
|
O2 .6751 .6900 .0002 .0282 |
|
H2a .673 .675 -.056 .03 |
|
H2b .690 .640 .046 .15 |
|
O3 .9783 .7937 .0089 .0388 |
|
H3a .027 .851 .045 .05 |
|
H3b .958 .809 -.059 .034 |
|
O4 .3337 .7544 -.0283 .0365 |
|
H4a .252 .724 -.062 .08 |
|
H4b .389 .783 -.064 .10 |
|
O5 .3959 .6184 .3321 .0195 |
|
O6 .9024 .6274 .3312 .0165 |
|
O7 .1549 .8839 .3376 .0223 |
|
O8 .6507 .8788 .3248 .0249 |
|
O9 .8697 .6008 .1481 .0170 |
|
H9 .867 .540 .157 .003 |
|
O10 .9385 .7913 .2161 .0199 |
|
O11 .4369 .7711 .2109 .0218 |
|
O12 .5796 .9035 .1385 .0234 |
|
H12 .629 .947 .170 .10 |
|
O13 .6876 .7188 .2082 .0181 |
|
O14 .1833 .7219 .2185 .0185 |
|
O15 .8270 .0419 .0922 .0290 |
|
H15a .908 .073 .120 .005 |
|
H15b .746 .058 .107 .08 |
|
O16 .3241 .5891 .1458 .0201 |
|
H16 .346 .5312 .148 .018 |
|
O17 .1186 .9136 .1562 .0210 |
|
H17 .123 .971 .172 .09 |
|
O18 .5769 .4585 .1060 .0303 |
|
H18a .658 .452 .110 .04 |
|
H18b .535 .428 .137 .018 |
|
O19 .3282 .0756 .0944 .0254 |
|
H19a .405 .095 .123 .03 |
|
H19b .261 .117 .117 .10 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Noonkanbahite |
| |
Uvarova Y A, Sokolova E, Hawthorne F C, Liferovich R P, Mitchell R H, |
|
Pekov I V, Zadov A E |
| |
Mineralogical Magazine 74 (2010) 441-450 |
|
Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and |
|
crystal structure |
|
Locality: Liley, Eifel Mountains, Germany |
|
_database_code_amcsd 0014602 |
|
8.0884 10.4970 13.9372 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
TiM(1) .2728 .75 .4713 .30 .0089 .0114 .0066 .0087 0 .0003 0 |
|
FeM(1) .2728 .75 .4713 .13 .0089 .0114 .0066 .0087 0 .0003 0 |
|
NbM(1) .2728 .75 .4713 .08 .0089 .0114 .0066 .0087 0 .0003 0 |
|
MgM(1) .2728 .75 .4713 .04 .0089 .0114 .0066 .0087 0 .0003 0 |
|
MnM(1) .2728 .75 .4713 .02 .0089 .0114 .0066 .0087 0 .0003 0 |
|
ZrM(1) .2728 .75 .4713 .01 .0089 .0114 .0066 .0087 0 .0003 0 |
|
AlM(1) .2728 .75 .4713 .01 .0089 .0114 .0066 .0087 0 .0003 0 |
|
TiM(2) .2282 .75 .4695 .32 .0089 .0114 .0066 .0087 0 .0003 0 |
|
BaA(1) 0 .25 .74487 .82 .0131 .0128 .0119 .0147 0 0 0 |
|
KA(1) 0 .25 .74487 .16 .0131 .0128 .0119 .0147 0 0 0 |
|
KA(2) 0 .75 .6819 .56 .0271 .0176 .0155 .0481 0 0 0 |
|
NaA(2) 0 .75 .6819 .26 .0271 .0176 .0155 .0481 0 0 0 |
|
CaA(2) 0 .75 .6819 .15 .0271 .0176 .0155 .0481 0 0 0 |
|
BaA(2) 0 .75 .6819 .03 .0271 .0176 .0155 .0481 0 0 0 |
|
NaA(3) 0 .5 .5 .0351 .0093 .0474 .0486 0 0 -.0365 |
|
Si -.30317 .97420 .64500 .0097 .0114 .0074 .0103 -.0001 .0004 -.0007 |
|
O(1) -.2207 .8831 .5673 .0156 .0230 .0107 .0132 .0005 .0043 -.0037 |
|
O(2) -.2455 .1203 .6368 .0180 .0308 .0093 .0140 -.0041 .0003 .0012 |
|
O(3) .75 .9189 .75 .0336 .0784 .0111 .0111 0 -.0081 0 |
|
O(4) .5 .9668 .6439 .0536 .0111 .0380 .1118 0 0 -.0187 |
|
O(5) 0 .75 .4574 .0133 .0128 .0157 .0115 0 0 0 |
|
O(6) .5 .75 .4704 .0221 .0236 .0173 .0255 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Arsentsumebite |
 |
Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A |
|   |
Mineralogy and Petrology 75 (2002) 79-88 |
|
The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) |
|
Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia |
|
_database_code_amcsd 0014646 |
|
7.804 5.890 8.964 90 112.29 90 P2_1/m |
|
atom x y z occ Biso |
|
Pb1 .7163 .25 .2412 3.4 |
|
Pb2 .2987 .25 .3869 2.8 |
|
Cu 0 0 0 1.50 |
|
As1 .5584 .25 -.1715 .63 1.0 |
|
S1 .5584 .25 -.1715 .37 1.0 |
|
As2 -.0449 .25 -.3502 .37 1.2 |
|
S2 -.0449 .25 -.3502 .63 1.2 |
|
OH1 .1707 .25 .0811 .9 |
|
O2 -.2413 .25 -.4682 2.9 |
|
O3 .0928 .25 .5563 4.8 |
|
O4 .4336 .25 .9346 3.8 |
|
O5 .7754 .25 -.0543 2.1 |
|
O6 -.0002 .0302 -.2410 2.6 |
|
O7 .5099 .0252 -.2875 2.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natrite |
 |
Zubkova N V, Pushcharovsky D Y, Ivaldi G, Ferraris G, Pekov I V, Chukanov N V |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 85-96 |
|
Crystal structure of natrite, gamma-Na2CO3 |
|
Locality: Mt Koashva, Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0014917 |
|
8.905 5.237 6.045 90 101.32 90 C2/m |
|
atom x y z Biso |
|
Na1 0 0 0 2.27 |
|
Na2 0 0 .5 2.46 |
|
Na3 .17047 .5 .7478 3.22 |
|
C .1645 .5 .2497 1.85 |
|
O1 .1023 .2944 .2859 4.58 |
|
O2 .2894 .5 .1781 1.81 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tsepinite-Ca |
| |
Pekov I V, Chukanov N V, Ferraris G, Gula A, Pushcharovsky D Y, Zadov A E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 461-480 |
|
Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral |
|
of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula |
|
- novel disordered sites in the vuoriyarvite-type structure |
|
Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif, |
|
Kola Peninsula, Russia |
|
_database_code_amcsd 0014929 |
|
14.484 14.191 7.907 90 117.26 90 C2/m |
|
atom x y z occ Uiso |
|
NaA .4134 .7401 -.000 .175 .049 |
|
KA .4134 .7401 -.000 .1388 .049 |
|
WatA .4134 .7401 -.000 .0437 .049 |
|
BaA' .5 .657 0 .0875 .23 |
|
WatA' .5 .657 0 .9125 .23 |
|
CaB .432 0 .700 .13 .15 |
|
SrB .432 0 .700 .10 .15 |
|
WatB .432 0 .700 .65 .15 |
|
BaB'1 .5 .829 0 .0158 .12 |
|
WatB'1 .5 .829 0 .3175 .12 |
|
BaB'2 .462 .907 .851 .0079 .02 |
|
WatB'2 .462 .907 .851 .1587 .02 |
|
BaB'3 .462 .849 .847 .0079 .10 |
|
WatB'3 .462 .849 .847 .1587 .10 |
|
SrC .086 0 .330 .07 .10 |
|
WatC .086 0 .330 .93 .10 |
|
CaC' .251 0 .501 .21 .015 |
|
CaD 0 0 .5 .425 .024 |
|
MnD 0 0 .5 .025 .024 |
|
FeD 0 0 .5 .005 .024 |
|
ZnD 0 0 .5 .015 .024 |
|
TiM1 0 .7583 .5 .8 .027 |
|
NbM1 0 .7583 .5 .2 .027 |
|
TiM2 .750 .750 .5 .8 .033 |
|
NbM2 .750 .750 .5 .2 .033 |
|
Si1 .2004 .1114 .7911 .0174 |
|
Si2 .6887 .8894 .7648 .0171 |
|
O1 .9001 .7605 .602 .39 .023 |
|
OH1 .9001 .7605 .602 .61 .023 |
|
O2 .9194 .8626 .326 .040 |
|
O3 .2482 .8605 .342 .037 |
|
O4 .2694 .8334 .709 .037 |
|
O5 .4190 .8331 .308 .044 |
|
O6 .340 0 .254 .049 |
|
O7 .2418 .8689 .014 .037 |
|
O8 .215 0 .762 .045 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Potassicarfvedsonite |
| |
Pekov I V, Chukanov N V, Lebedeva Y S, Pushcharovsky D Y, Ferraris G, Gula A, |
|
Zadov A E, Novakova A A, Petersen O V |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 555-574 |
|
Potassicarfvedsonite, KNa2Fe2+4Fe3+Si8O22(OH)2,a K-dominant amphibole of the |
|
arfvedsonite series from agpaitic pegmatites - Mineral data, structure |
|
refinement and disorder in the A site |
|
Locality: Ilimaussaq, Greenland |
|
_database_code_amcsd 0014932 |
|
10.002 18.054 5.319 90 103.90 90 C2/m |
|
atom x y z Uiso occ |
|
KA'm .013 .5 .039 .038 .342 |
|
NaA"m .067 .5 .121 .021 .054 |
|
NaA2 0 .472 0 .034 .054 |
|
Fe2+M1 0 .09102 .5 .00873 .70 |
|
Fe3+M1 0 .09102 .5 .00873 .20 |
|
MnM1 0 .09102 .5 .00873 .10 |
|
Fe2+M2 0 .18388 0 .00721 .58 |
|
Fe3+M2 0 .18388 0 .00721 .39 |
|
Ti4+M2 0 .18388 0 .00721 .03 |
|
Fe2+M3 0 0 0 .00782 .63 |
|
LiM3 0 0 0 .00782 .28 |
|
Fe3+M3 0 0 0 .00782 .09 |
|
NaM4 0 .27795 .5 .0165 |
|
Si1 .27470 .08610 .29088 .00669 |
|
Si2 .28655 .17085 .79998 .00683 |
|
O1 .10992 .09152 .2078 .0096 |
|
O2 .12016 .17285 .7336 .0102 |
|
O3 .1084 0 .7081 .0124 .8 |
|
F3 .1084 0 .7081 .0124 .2 |
|
O4 .3643 .24753 .7991 .0130 |
|
O5 .34497 .12684 .0802 .0107 |
|
O6 .3374 .11819 .5814 .0115 |
|
O7 .3271 0 .2968 .0131 |
|
H .223 0 .771 .07 .8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Megacyclite |
 |
Zubkova N V, Pekov I V, Chukanov N V, Listsin D V, Rabadanov M K, Pushcharovsky D Y |
|   |
New Data on Minerals. Moscow 42 (2007) 81-92 |
|
New data on megacyclite |
|
_database_code_amcsd 0014933 |
|
24.8219 11.9236 14.8765 90 94.486 90 P2_1/c |
|
atom x y z Uiso |
|
K .91382 .14525 .72291 .03881 |
|
Na1 .34232 .12237 .34597 .02689 |
|
Na2 .44824 .13180 .82325 .0289 |
|
Na3 .55939 .12869 .28837 .0324 |
|
Na4 .22742 .13972 .86258 .02652 |
|
Na5 .78914 .12064 .25418 .02935 |
|
Na6 .67336 .13710 .76626 .0324 |
|
Na7 .11812 .11694 .40322 .0354 |
|
Na8 .01282 .05626 .11570 .0446 |
|
Sil .297439 .17493 .54092 .01369 |
|
Si2 .71951 .17838 .44664 .01423 |
|
Si3 .400360 .17567 .01732 .01369 |
|
Si4 .61727 .18088 .97530 .01496 |
|
Si5 .50792 .18194 .49761 .01547 |
|
Si6 .19635 .18284 .06553 .01437 |
|
Si7 .81558 .17287 .92411 .01483 |
|
Si8 .14334 .11673 .64686 .01471 |
|
Si9 .88173 .11110 .46350 .01564 |
|
O14 .74530 .11403 .53314 .0216 |
|
O15 .83506 .10594 .01271 .0222 |
|
O16 .84737 .20972 .40773 .0205 |
|
O17 .65669 .21333 .45761 .0246 |
|
O18 .25601 .21879 .03407 .0210 |
|
O19 .16028 .20192 .56640 .0188 |
|
O1 .71992 .10119 .35537 .0191 |
|
Hl .7150 .0333 .3548 .028 |
|
O2 .27993 .09279 .45507 .0200 |
|
H2 .2728 .026 .4583 .066 |
|
O3 .16938 .10964 .98044 .0192 |
|
H3 .1672 .039 .9860 .059 |
|
O4 .29887 .11160 .63522 .0203 |
|
O5 .61265 .10717 .88171 .0217 |
|
H5 .6071 .043 .8851 .060 |
|
O6 .38321 .09797 .92889 .0215 |
|
H6 .3776 .031 .9326 .061 |
|
O7 .75123 .20640 .92225 .0205 |
|
O8 .51367 .10963 .58735 .0275 |
|
O9 .19976 .11501 .15772 .0194 |
|
O10 .40724 .10633 .10854 .0233 |
|
O11 .82367 .09931 .83298 .0198 |
|
Hl1 .8171 .0367 .8338 .032 |
|
O12 .35638 .22273 .51836 .0235 |
|
O13 .50322 .10376 .40678 .0278 |
|
H13 .4965 .041 .4101 .061 |
|
O20 .41959 .18052 .28331 .0273 |
|
H20a .4443 .145 .3088 .039 |
|
H20b .4181 .163 .2375 .050 |
|
O21 .19890 .09026 .71178 .0231 |
|
H21 .2250 .0995 .6896 .030 |
|
O22 .63775 .10804 .06030 .0288 |
|
O23 .09260 .09683 .21876 .0309 |
|
H23a .1210 .094 .1956 .058 |
|
H23b .0898 .176 .215 .089 |
|
O24 .85386 .08407 .55810 .0253 |
|
H24 .8199 .0927 .5588 .032 |
|
O25 .09694 .16394 .70337 .0215 |
|
O26 .52769 .18390 .76158 .0272 |
|
H26a .5282 .164 .7162 .054 |
|
H26b .5536 .1526 .7832 .033 |
|
O27 .63890 .18017 .23162 .0264 |
|
H27a .6627 .1479 .2508 .027 |
|
H27b .6405 .166 .1835 .036 |
|
O28 .19670 .16976 .33956 .0266 |
|
H28a .2213 .1435 .3683 .028 |
|
H28b .2008 .157 .2943 .052 |
|
O29 .30838 .19508 .80967 .0255 |
|
H29a .3297 .1563 .8418 .034 |
|
H29b .3114 .181 .7653 .063 |
|
O30 .94346 .14092 .48509 .0243 |
|
O31 .45601 .23503 .99030 .0271 |
|
O32 .12566 .00013 .59820 .0285 |
|
O33 .41257 .06048 .68015 .0318 |
|
H33a .4321 .085 .6483 .055 |
|
H33b .3768 .077 .6651 .067 |
|
O34 .75341 .19701 .70393 .0290 |
|
H34a .7550 .182 .6552 .043 |
|
H34b .7731 .1575 .7254 .021 |
|
O35 .62623 .06541 .62515 .0348 |
|
H35a .5896 .082 .6129 .052 |
|
H35b .6392 .093 .590 .077 |
|
O36 .55876 .23442 .98791 .0351 |
|
O37 .74524 .05079 .11455 .0286 |
|
H37a .7666 .075 .0840 .053 |
|
H37b .7074 .074 .0944 .060 |
|
O38 .30555 .05356 .20507 .0300 |
|
H38a .3247 .078 .1746 .051 |
|
H38b .2697 .075 .1889 .066 |
|
O39 -.00211 .24854 .62662 .0426 |
|
H39a .9833 .215 .581 .104 |
|
H39b .0262 .215 .639 .108 |
|
O40 .08499 .20186 .87558 .0295 |
|
H40a .0913 .185 .8190 .060 |
|
H40b .1067 .172 .9051 .059 |
|
O41 .03014 .04650 .41017 .0303 |
|
H41a .0334 -.0070 .4371 .029 |
|
H41b .0046 .082 .4368 .051 |
|
O42 .87103 .14303 .18903 .0352 |
|
H42a .8969 .113 .1981 .050 |
|
H42b .8651 .134 .1413 .035 |
|
O43 .96867 .00773 .24304 .0379 |
|
H43a .9485 -.041 .2583 .038 |
|
H43b .9844 .021 .2860 .051 |
|
O44 .51857 .05720 .14594 .0343 |
|
H44a .5338 .083 .111 .083 |
|
H44b .4816 .073 .1367 .056 |
|
O45 .97420 .18565 .87773 .0448 |
|
H45a .9658 .235 .912 .093 |
|
H45b .0075 .192 .8738 .059 |
|
O46 .94217 .02574 .00379 .0680 |
|
H46a .9136 .0501 .0070 .043 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Belovite-(La) |
 |
Kabalov Y K, Sokolova E V, Pekov I V |
|   |
Soviet Physics Doklady 42 (1997) 344-348 |
|
Crystal structure of belovite-(La) |
|
Locality: Mt. Kukisvumchorr, Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015622 |
|
9.6641 9.6641 7.1825 90 90 120 P-3 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SrA3 .2372 -.0195 .2449 .918 .0127 .0129 .0204 .0032 -.003 .0028 |
|
CaA3 .2372 -.0195 .2449 .02 .0127 .0129 .0204 .0032 -.003 .0028 |
|
BaA3 .2372 -.0195 .2449 .04 .0127 .0129 .0204 .0032 -.003 .0028 |
|
NaA1 1/3 2/3 .015 .777 .008 .008 .007 .004 0 0 |
|
LaA1 1/3 2/3 .015 .133 .008 .008 .007 .004 0 0 |
|
CeA1 1/3 2/3 .015 .08 .008 .008 .007 .004 0 0 |
|
LaA2 1/3 2/3 .512 .466 .0097 .0097 .0137 .0049 0 0 |
|
CeA2 1/3 2/3 .512 .32 .0097 .0097 .0137 .0049 0 0 |
|
NaA2 1/3 2/3 .512 .204 .0097 .0097 .0137 .0049 0 0 |
|
P .4023 .367 .2428 2.5 |
|
O1 .481 .149 .747 3.4 |
|
O2 .326 .265 .085 4.5 |
|
O3 .363 .292 .433 1.9 |
|
O4 .536 .111 .235 3.6 |
|
F5 0 0 .287 2.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cupropearceite |
| |
Bindi L, Pekov I V |
|   |
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 138 (2009) 44-50 |
|
Crystal chemistry of extremely Cu-rich cupropearceite |
|
from the Sarbay mine, Northern Kazakhstan |
|
Location: Sarbay mine, Northern Kazakhstan |
|
_database_code_amcsd 0015712 |
|
7.2567 7.2567 11.8193 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ag1 .31106 .15553 .38548 .222 .0321 |
|
Cu1 .31106 .15553 .38548 .778 .0321 |
|
Ag2 .3602 .1610 .1241 .350 .108 |
|
Ag3 .2992 -.0845 .1190 .400 .105 |
|
As 1/3 2/3 .40680 .801 .0215 |
|
Sb 1/3 2/3 .40680 .199 .0215 |
|
Cu2 0 0 0 .0308 |
|
S1 0 0 .1825 .0345 |
|
S2 .01672 .50836 .31338 .0288 |
|
S3 2/3 1/3 .0200 .0359 |
|
S4 0 0 .5 .098 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lepkhenelmite-Zn |
| |
Pekov I V, Chukanov N V, Shilov G V, Kononkova N N, Zadov A E |
|   |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 49-59 |
|
Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the |
|
labuntsovite group and its crystal structure |
|
Locality: Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia |
|
Note: y(M1) corrected |
|
_database_code_amcsd 0015714 |
|
14.381 13.889 7.793 90 117.52 90 Cm |
|
atom x y z occ Uiso |
|
BaA1 .751 0 .504 .0362 .013 |
|
KA1 .751 0 .504 .0212 .013 |
|
CaA1 .751 0 .504 .0102 .013 |
|
NaA1 .751 0 .504 .0094 .013 |
|
SrA1 .751 0 .504 .0086 .013 |
|
BaA2 -.001 .312 .005 .0904 .058 |
|
KA2 -.001 .312 .005 .0531 .058 |
|
CaA2 -.001 .312 .005 .0256 .058 |
|
NaA2 -.001 .312 .005 .0236 .058 |
|
SrA2 -.001 .312 .005 .0216 .058 |
|
BaA3 .931 .5 .697 .1876 .132 |
|
KA3 .931 .5 .697 .1101 .132 |
|
CaA3 .931 .5 .697 .0530 .132 |
|
NaA3 .931 .5 .697 .0489 .132 |
|
SrA3 .931 .5 .697 .0449 .132 |
|
BaA4 .907 0 .662 .1153 .10 |
|
KA4 .907 0 .662 .0677 .10 |
|
CaA4 .907 0 .662 .0326 .10 |
|
NaA4 .907 0 .662 .0301 .10 |
|
SrA4 .907 0 .662 .0276 .10 |
|
BaA5 .898 0 .99 .0316 .12 |
|
KA5 .898 0 .99 .0186 .12 |
|
CaA5 .898 0 .99 .0089 .12 |
|
NaA5 .898 0 .99 .0083 .12 |
|
SrA5 .898 0 .99 .0076 .12 |
|
BaA6 .760 .5 .530 .0316 .043 |
|
KA6 .760 .5 .530 .0186 .043 |
|
CaA6 .760 .5 .530 .0089 .043 |
|
NaA6 .760 .5 .530 .0083 .043 |
|
SrA6 .760 .5 .530 .0076 .043 |
|
BaA7 .086 .243 .989 .0565 .09 |
|
KA7 .086 .243 .989 .0332 .09 |
|
CaA7 .086 .243 .989 .0160 .09 |
|
NaA7 .086 .243 .989 .0147 .09 |
|
SrA7 .086 .243 .989 .0135 .09 |
|
BaA8 .058 .351 .222 .0452 .049 |
|
KA8 .058 .351 .222 .0265 .049 |
|
CaA8 .058 .351 .222 .0128 .049 |
|
NaA8 .058 .351 .222 .0118 .049 |
|
SrA8 .058 .351 .222 .0108 .049 |
|
BaA9 .930 .769 .012 .0576 .09 |
|
KA9 .930 .769 .012 .0339 .09 |
|
CaA9 .930 .769 .012 .0163 .09 |
|
NaA9 .930 .769 .012 .0150 .09 |
|
SrA9 .930 .769 .012 .0138 .09 |
|
BaA10 .048 .148 .219 .0090 .005 |
|
KA10 .048 .148 .219 .0053 .005 |
|
CaA10 .048 .148 .219 .0026 .005 |
|
NaA10 .048 .148 .219 .0023 .005 |
|
SrA10 .048 .148 .219 .0022 .005 |
|
ZnD .0074 0 .494 .58 .032 |
|
MgD .0074 0 .494 .01 .032 |
|
FeD .0074 0 .494 .04 .032 |
|
MnD .0074 0 .494 .15 .032 |
|
TiM1 .0032 .2339 .4907 .742 .034 |
|
NbM1 .0032 .2339 .4907 .256 .034 |
|
TiM2 .2525 .2491 .5025 .742 .044 |
|
NbM2 .2525 .2491 .5025 .256 .044 |
|
Al1 .1864 .3867 .762 .014 .047 |
|
Si1 .1864 .3867 .762 .986 .047 |
|
Al2 .8150 .6072 .2437 .014 .029 |
|
Si2 .8150 .6072 .2437 .986 .029 |
|
Al3 .2980 .3919 .2082 .014 .025 |
|
Si3 .2980 .3919 .2082 .986 .025 |
|
Al4 .7055 .6100 .802 .014 .057 |
|
Si4 .7055 .6100 .802 .986 .057 |
|
O1 .239 .378 .618 .045 |
|
O2 .087 .320 .706 .052 |
|
O3 .272 .374 -.021 .039 |
|
O4 .141 .5 .741 .09 |
|
O5 .745 .624 .016 .10 |
|
O6 .751 .645 .357 .10 |
|
O7 .859 .5 .268 .08 |
|
O8 .921 .671 .309 .11 |
|
O9 .426 .385 .332 .040 |
|
O10 .233 .317 .281 .077 |
|
O11 .255 .5 .203 .075 |
|
O12 .587 .630 .662 .075 |
|
O13 .774 .682 .735 .051 |
|
O14 .739 .5 .762 .057 |
|
O15 .898 .234 .593 .048 |
|
O16 .098 .231 .380 .057 |
|
Wat1 -.003 .126 .982 .19 |
|
Wat2 .000 .382 -.019 .056 .17 |
|
Wat3 -.022 .367 .900 .089 .11 |
|
Wat4 -.069 0 .658 .488 .023 |
|
Wat5 -.096 0 .353 .444 .013 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kukharenkoite-(La) |
| |
Krivovichev S V, Armbruster T, Pekov I V |
|   |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 132N3 (2003) 65-72 |
|
Cation frameworks in structure of natural fluocarbonates of barium and |
|
rare-earth elements: crystal structure of kukharenkoite-(La), Ba2(La,Ce)(CO3)3F |
|
_database_code_amcsd 0015720 |
|
13.396 5.111 6.672 90 106.628 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .07504 .25 .28997 .01915 .0170 .0216 .0188 0 .0051 0 |
|
Ba2 .41632 .25 .68816 .01724 .0182 .0164 .0159 0 .0029 0 |
|
La .76120 .25 .98914 .01418 .0154 .0119 .0148 0 .0037 0 |
|
F .9294 .25 .9116 .0311 .030 .031 .030 0 .006 0 |
|
C1 .7266 .25 .5101 .019 .014 .022 .018 0 .000 0 |
|
C2 .4278 .25 .1737 .018 .028 .014 .017 0 .013 0 |
|
C3 .1278 .25 .7956 .018 .017 .018 .021 0 .007 0 |
|
O1 .1817 .25 .9901 .0225 .024 .020 .020 0 .001 0 |
|
O2 .6983 .25 .3102 .0337 .040 .037 .023 0 .007 0 |
|
O3 .4895 .25 .3583 .0281 .031 .031 .019 0 .003 0 |
|
O4 .4003 .0335 .0776 .0300 .036 .020 .032 -.002 .005 -.004 |
|
O5 .2619 .9664 .3871 .0293 .033 .016 .033 -.001 .001 .002 |
|
O6 .8966 .9688 .2999 .0273 .034 .020 .026 -.004 .007 -.002 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lileyite |
| |
Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M, |
|
Zadov A E, Van K V, Blass G, Schuller W, Ternes B |
| |
European Journal of Mineralogy 24 (2012) 181-188 |
|
Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group |
|
mineral from the Eifel volcanic area, Germany |
|
Locality:Lohley quarry, Rhineland-Palatinate, Germany |
|
_database_code_amcsd 0018776 |
|
19.905 7.098 5.405 90 96.349 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .2827 0 .2623 .75 .01464 .00940 .00941 0 .00095 0 |
|
K .2827 0 .2623 .15 .01464 .00940 .00941 0 .00095 0 |
|
Sr .2827 0 .2623 .1 .01464 .00940 .00941 0 .00095 0 |
|
Na1 0 0 0 .0113 .0092 .0080 0 .0048 0 |
|
Na2 0 .2594 .5 .45 .0192 .0174 .0144 0 .0049 0 |
|
Ca2 0 .2594 .5 .2 .0192 .0174 .0144 0 .0049 0 |
|
Fe2 0 .2594 .5 .25 .0192 .0174 .0144 0 .0049 0 |
|
Mn2 0 .2594 .5 .1 .0192 .0174 .0144 0 .0049 0 |
|
Mg 0 .5 0 .8 .0113 .0016 .0151 0 -.0110 0 |
|
Fe 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
|
Ti 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
|
Ti .1458 0 .7068 .95 .00979 .00761 .00630 0 .00066 0 |
|
Nb .1458 0 .7068 .05 .00979 .00761 .00630 0 .00066 0 |
|
Si .1386 .2819 .2041 .00874 .00533 .00624 .00007 .00052 -.00028 |
|
O1 .1713 .1889 .4657 .0164 .0082 .0074 -.0005 .0008 .0019 |
|
O2 .1715 .1876 .9714 .0168 .0078 .0084 -.0001 .0023 -.0025 |
|
O3 .1696 .5 .2164 .0137 .0049 .0107 0 .0006 0 |
|
O4 .0579 .2867 .1735 .0085 .0152 .0196 .0002 -.0004 -.0016 |
|
O5 .0604 0 .6671 .0118 .0343 .0134 0 .0004 0 |
|
F .4443 0 .2848 .8 .0221 .0321 .0241 0 .0054 0 |
|
OF .4443 0 .2848 .2 .0221 .0321 .0241 0 .0054 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) 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) 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# 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# Kovd5 |
|
Locality: Kovdor |
|
_database_code_amcsd 0018869 |
|
12.606 12.606 5.118 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .328797 .411271 .75 .00758 |
|
Al2 .07557 .412385 .75065 .89 .00764 |
|
Si2 .07557 .412385 .75065 .11 .00764 |
|
O1 .20304 .40468 .65957 .01530 |
|
O2 .11582 .56377 .72443 .01919 |
|
O3 .03076 .35266 .06175 .01552 |
|
O4 .31616 .36021 .04513 .01569 |
|
Na .6667 .3333 .1315 .0299 |
|
Wat .6873 .3015 .6848 .333 .0562 |
|
NaA' .1249 .2525 .2972 .62 .0254 |
|
CaA' .1249 .2525 .2972 .02 .0254 |
|
NaA .1194 .2418 .2627 .35 .0279 |
|
CaA .1194 .2418 .2627 .01 .0279 |
|
C1 0 0 .644 .32 .036 |
|
OC1 .0575 .1180 .644 .32 .043 |
|
C2 0 0 .9054 .252 .0223 |
|
OC2 .0576 .1179 .9054 .252 .0317 |
|
C4 0 0 .758 .15 .010 |
|
OC4 .0570 .1171 .758 .15 .024 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# kir2343 |
|
Locality: Khibiny |
|
_database_code_amcsd 0018870 |
|
12.607 12.607 5.111 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .328823 .411280 .75 .00725 |
|
Al2 .07563 .41234 .75076 .90 .00719 |
|
Si2 .07563 .41234 .75076 .10 .00719 |
|
O1 .20311 .40467 .65898 .01472 |
|
O2 .11579 .56374 .7243 .01825 |
|
O3 .03099 .35279 .06220 .01511 |
|
O4 .31617 .36021 .04601 .01547 |
|
Na 2/3 1/3 .1308 .0299 |
|
Wat .6143 .3129 .6849 .333 .0570 |
|
NaA' .1236 .2504 .2992 .57 .0230 |
|
CaA' .1236 .2504 .2992 .05 .0230 |
|
NaA .1195 .2410 .2677 .34 .0259 |
|
CaA .1195 .2410 .2677 .02 .0259 |
|
C1 .0 .0 .6399 .289 .0215 |
|
OC1 .0579 .1182 .6399 .289 .0233 |
|
C2 .0 .0 .9089 .251 .0146 |
|
OC2 .0580 .1178 .9089 .251 .0225 |
|
C4 .0 .0 .7583 .196 .0111 |
|
OC4 .0580 .1188 .7583 .196 .0175 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# tz3/1 |
|
Locality: Tamazeght |
|
_database_code_amcsd 0018871 |
|
12.625 12.625 5.122 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32817 .41076 .75 .0099 |
|
Al2 .07537 .41230 .7511 .94 .0088 |
|
Si2 .07537 .41230 .7511 .06 .0088 |
|
O1 .2028 .4037 .6579 .0156 |
|
O2 .1132 .5635 .7283 .0221 |
|
O3 .0299 .3502 .0618 .0177 |
|
O4 .3141 .3564 .0443 .0177 |
|
Na 2/3 1/3 .1353 .845 .0370 |
|
Wat .695 .3756 .684 .333 .061 |
|
NaA .1230 .24943 .2944 .77 .0269 |
|
CaA .1230 .24943 .2944 .20 .0269 |
|
C1 0 0 .669 .402 .040 |
|
OC1 .0559 .1178 .669 .402 .046 |
|
C2 0 0 .899 .365 .059 |
|
OC2 .059 .1194 .899 .365 .056 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# tz5/1 |
|
Locality: Tamazeght |
|
_database_code_amcsd 0018872 |
|
12.618 12.618 5.144 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32849 .41087 .75 .00881 |
|
Al2 .07534 .41255 .7509 .92 .00886 |
|
Si2 .07534 .41255 .7509 .08 .00886 |
|
O1 .20368 .40528 .6629 .0159 |
|
O2 .11412 .56335 .7283 .0214 |
|
O3 .02878 .3506 .0582 .0171 |
|
O4 .31591 .3576 .0422 .0178 |
|
Na .6667 .3333 .1311 .0422 |
|
Wat .697 .378 .6905 .333 .073 |
|
NaA .12555 .25371 .2955 .77 .0295 |
|
CaA .12555 .25371 .2955 .15 .0295 |
|
C1 0 0 .644 .289 .019 |
|
OC1 .0575 .1178 .644 .289 .024 |
|
C2 0 0 .936 .272 .029 |
|
OC2 .0522 .1168 .936 .272 .067 |
|
C4 0 0 .762 .160 .016 |
|
OC4 .0589 .1170 .762 .160 .024 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# 11/1 |
|
Locality: Khibiny |
|
_database_code_amcsd 0018873 |
|
12.618 12.618 5.116 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32841 .41111 .75 .00699 |
|
Al2 .07525 .41236 .75094 .93 .00723 |
|
Si2 .07525 .41236 .75094 .07 .00723 |
|
O1 .20317 .40479 .65897 .01388 |
|
O2 .11541 .56393 .7249 .01830 |
|
O3 .03040 .35195 .06234 .01469 |
|
O4 .31531 .35986 .04496 .01472 |
|
Na 2/3 1/3 .1323 .0288 |
|
Wat .6157 .3146 .6852 .333 .0534 |
|
NaA' .1248 .2525 .2996 .55 .0209 |
|
CaA' .1248 .2525 .2996 .05 .0209 |
|
NaA .1190 .2411 .276 .35 .0263 |
|
CaA .1190 .2411 .276 .04 .0263 |
|
C1 0 0 .660 .225 .0177 |
|
OC1 .0577 .1187 .660 .225 .0163 |
|
C2 0 0 .9029 .247 .0198 |
|
OC2 .0577 .1185 .9029 .247 .0262 |
|
C3 0 0 .581 .092 .007 |
|
OC3 .0566 .1145 .581 .092 .016 |
|
C4 0 0 .7581 .172 .0108 |
|
OC4 .0567 .1186 .7581 .172 .0176 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# mmf28962 |
|
Locality: Ilmeny Mountains, southern Urals, Russia |
|
_database_code_amcsd 0018874 |
|
12.617 12.617 5.129 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32795 .41047 .75 .00926 |
|
Al2 .07506 .41250 .75085 .97 .00954 |
|
Si2 .07506 .41250 .75085 .03 .00954 |
|
O1 .20308 .40495 .6581 .0166 |
|
O2 .11353 .56358 .7273 .0211 |
|
O3 .02942 .34970 .0598 .0174 |
|
O4 .31396 .35719 .0433 .0168 |
|
Na 2/3 1/3 .124 .705 .0343 |
|
Na' 2/3 1/3 .187 .18 .026 |
|
Wat .6849 .3068 .6857 .333 .066 |
|
NaA .12273 .24770 .2913 .64 .0253 |
|
CaA .12273 .24770 .2913 .16 .0253 |
|
NaA' .1320 .2699 .2998 .15 .038 |
|
CaA' .1320 .2699 .2998 .04 .038 |
|
C1 0 0 .715 .211 .021 |
|
OC1 .0575 .1202 .715 .211 .022 |
|
C2 0 0 .944 .185 .011 |
|
OC2 .0575 .1165 .944 .185 .026 |
|
C3 0 0 .626 .225 .024 |
|
OC3 .0572 .1172 .626 .225 .024 |
|
C4 0 0 .844 .150 .006 |
|
OC4 .0587 .1192 .844 .150 .025 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# mmf62633/2 |
|
Locality: Dakhuunur |
|
_database_code_amcsd 0018875 |
|
12.613 12.613 5.124 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32770 .41029 .75 .00911 |
|
Al2 .07504 .41252 .7511 .97 .00991 |
|
Si2 .07504 .41252 .7511 .03 .00991 |
|
O1 .20285 .40426 .6582 .0156 |
|
O2 .1127 .56339 .7281 .0204 |
|
O3 .02932 .3487 .0608 .0162 |
|
O4 .31292 .3565 .0430 .0161 |
|
Na 2/3 1/3 .1380 .815 .0382 |
|
Wat .691 .3741 .679 .333 .061 |
|
NaA .12252 .24759 .2959 .64 .0222 |
|
CaA .12252 .24759 .2959 .25 .0222 |
|
NaA' .1424 .2866 .288 .06 .0222 |
|
CaA' .1424 .2866 .288 .02 .0222 |
|
C1 0 0 .6751 .432 .044 |
|
OC1 .0578 .1186 .6751 .432 .046 |
|
C2 0 0 .912 .373 .038 |
|
OC2 .0590 .1185 .912 .373 .044 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
|
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
|
A review and new data. I. Chemical and structural variations |
|
Note: Sample# ggm44331 |
|
Locality: Vishnevye Mountains |
|
_database_code_amcsd 0018876 |
|
12.627 12.627 5.136 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .32815 .41088 .75 .01027 |
|
Al2 .07515 .41252 .7510 .94 .01077 |
|
Si2 .07515 .41252 .7510 .06 .01077 |
|
O1 .20301 .40490 .6605 .0172 |
|
O2 .11441 .56360 .7266 .0219 |
|
O3 .02867 .34943 .0600 .0168 |
|
O4 .31430 .35775 .0427 .0177 |
|
Na 2/3 1/3 .1345 .0374 |
|
Wat .686 .303 .6892 .333 .064 |
|
NaA .1223 .2452 .2867 .44 .0241 |
|
CaA .1223 .2452 .2867 .10 .0241 |
|
NaA' .1269 .2601 .301 .39 .040 |
|
CaA' .1269 .2601 .301 .07 .040 |
|
C1 0 0 .692 .19 .016 |
|
OC1 .0574 .1194 .692 .19 .010 |
|
C2 0 0 .935 .216 .012 |
|
OC2 .0603 .1155 .935 .216 .034 |
|
C3 0 0 .611 .21 .023 |
|
OC3 .0541 .1138 .611 .21 .034 |
|
C4 0 0 .810 .234 .018 |
|
OC4 .060 .123 .810 .234 .071 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hydroxylchondrodite |
| |
Pekov I V, Gerasimova E I, Chukanov N V, Kabalov Y K, Zubkova N V, |
|
Zadov A E, Yapaskurt V O, Gekimyants V M, Pushcharovskii D Y |
|   |
Doklady Akademii Nauk 436 (2011) 526-532 |
|
Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group |
|
and its crystal structure |
|
Locality: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia |
|
_database_code_amcsd 0018887 |
|
7.880 4.726 10.290 90 109.04 90 P2_1/c |
|
atom x y z occ Biso |
|
Mg1 .5 .5 0 1.4 |
|
Mg2 .3073 .016 .1753 1.0 |
|
Mg3 .0780 .498 .8915 .85 .8 |
|
Ti3 .0780 .498 .8915 .15 .8 |
|
Si .7029 .0800 .1429 1.2 |
|
O1 .294 .777 .003 1.0 |
|
O2 .119 .712 .240 1.0 |
|
O3 .530 .226 .163 1.2 |
|
O4 .300 .262 .856 .8 |
|
OH5 .098 .256 .051 .66 .8 |
|
F5 .098 .256 .051 .12 .8 |
|
O5 .098 .256 .051 .22 .8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorbritholite-(Y) |
| |
Pekov I V, Zubkova N V, Chukanov N V, Husdal T A, Zadov A E, Pushcharovsky D Y |
|   |
Neues Jahrbuch fur Mineralogie, Abhandlungen 188 (2011) 191-197 |
|
Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group |
|
Locality: Lagmannsvik, Hamaroy, Nordland, Norway |
|
_database_code_amcsd 0018905 |
|
9.4437 9.4437 6.8169 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) |
|
YMl 1/3 2/3 -.00130 .68 .0173 .0207 .0207 .0105 .0104 0 0 |
|
CaMl 1/3 2/3 -.00130 .22 .0173 .0207 .0207 .0105 .0104 0 0 |
|
CeMl 1/3 2/3 -.00130 .07 .0173 .0207 .0207 .0105 .0104 0 0 |
|
LaMl 1/3 2/3 -.00130 .03 .0173 .0207 .0207 .0105 .0104 0 0 |
|
YM2 .24761 .00642 .25 .20 .0167 .0182 .0155 .0125 .0054 0 0 |
|
NdM2 .24761 .00642 .25 .11 .0167 .0182 .0155 .0125 .0054 0 0 |
|
CeM2 .24761 .00642 .25 .07 .0167 .0182 .0155 .0125 .0054 0 0 |
|
YbM2 .24761 .00642 .25 .06 .0167 .0182 .0155 .0125 .0054 0 0 |
|
DyM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
|
ErM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
|
GdM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
|
SmM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
|
PrM2 .24761 .00642 .25 .02 .0167 .0182 .0155 .0125 .0054 0 0 |
|
CaM2 .24761 .00642 .25 .36 .0167 .0182 .0155 .0125 .0054 0 0 |
|
MnM2 .24761 .00642 .25 .01 .0167 .0182 .0155 .0125 .0054 0 0 |
|
Si .3720 .4005 .25 .0111 .0111 .0140 .0100 .0076 0 0 |
|
O1 .4700 .5975 .25 .0285 .015 .015 .050 .003 0 0 |
|
O2 .4924 .3250 .25 .0253 .024 .044 .020 .027 0 0 |
|
O3 .2530 .3418 .4365 .0438 .035 .091 .023 .044 .016 .030 |
|
F 0 0 .25 .114 .047 .047 .25 .024 0 0 |
|
|
| 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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