|
Glagolevite |
| |
Krivovichev S V, Armbruster T, Organova N I, Burns P C, Seredkin M V, Chukanov N V |
 |
American Mineralogist 89 (2004) 1138-1141 |
|
Incorporation of sodium into the chlorite structure: the crystal structure |
|
of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8 |
|
_database_code_amcsd 0003597 |
|
5.3580 9.2810 14.574 90.00 97.08 90.00 C1 |
|
atom x y z occ Uiso |
|
Mg1 .242 .5794 .4995 .0075 |
|
Mg2 -.259 -.5860 -.4995 .0075 |
|
Mg3 .246 .2457 .4986 .0075 |
|
Mg4 .243 .7495 .0011 .0075 |
|
Mg5 .247 .4145 .9999 .0075 |
|
Mg6 -.253 -.4189 -.9991 .0075 |
|
Na1 -.512 .751 .805 .30 .035 |
|
Na2 -.556 -.735 -.793 .10 .035 |
|
Na3 .414 -.426 -.803 .18 .035 |
|
Si1 -.0333 .5797 .6897 .0063 |
|
Si2 .488 .738 .6758 .199 .0063 |
|
Si3 .4876 .4198 .6921 .801 .0063 |
|
Si4 .0194 -.5837 -.6897 .0063 |
|
Si5 -.457 -.4107 -.6878 .383 .0063 |
|
Si6 -.5006 -.7581 -.6930 .617 .0063 |
|
O1 -.059 .5824 .5764 .0106 |
|
O2 .253 .5163 .7300 .801 .0106 |
|
O3 -.038 .7469 .7316 .801 .0106 |
|
O4 -.237 .4792 .7357 .801 .0106 |
|
O5 .256 .641 .710 .199 .0106 |
|
O6 -.039 .4050 .710 .199 .0106 |
|
O7 -.266 .661 .729 .199 .0106 |
|
O8 .430 .7481 .5664 .0106 |
|
O9 .263 -.490 -.720 .383 .0106 |
|
O10 -.248 -.509 -.7309 .383 .0106 |
|
O11 .070 -.747 -.726 .383 .0106 |
|
O12 .058 -.5843 -.5780 .0106 |
|
O13 .223 -.687 -.7344 .617 .0106 |
|
O14 .033 -.4226 -.7345 .617 .0106 |
|
O15 -.256 -.658 -.7309 .617 .0106 |
|
O16 -.447 -.7517 -.5785 .0106 |
|
O17 .436 .4140 .5719 .0106 |
|
O18 -.447 -.4204 -.5782 .0106 |
|
OH19 .409 .5841 .9286 .0106 |
|
OH20 -.378 -.5846 -.9307 .0106 |
|
OH21 .116 .5829 .0709 .0106 |
|
OH22 -.092 -.5868 -.0735 .0106 |
|
OH23 .619 .7511 .0719 .0106 |
|
OH24 -.598 -.7477 -.0690 .0106 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Footemineite |
| |
Atencio D, Matioli P A, Smith J B, Chukanov N V, Coutinho J M V, |
|
Rastsvetaeva R K, Mockel S |
| |
American Mineralogist 93 (2008) 1-6 |
|
Footemineite, the Mn-analog of atencioite, from the Foote mine, Kings Mountain, |
|
Cleveland County, North Carolina, U.S.A., and its relationship with other |
|
roscherite-group minerals |
|
Locality: Foote mine, Kings Mountain, Cleveland County, North Carolina, USA |
|
_database_code_amcsd 0004490 |
|
6.788 9.972 10.014 73.84 85.34 87.44 P-1 |
|
atom x y z occ Biso |
|
Ca .7463 .2608 .7372 1.30 |
|
MnD1 0 0 0 .9 1.86 |
|
LiD2 .5 0 0 .17 4.2 |
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MgD2 .5 0 0 .05 4.2 |
|
MnM1 .4924 .9916 .6673 .81 1.17 |
|
FeM1 .4924 .9916 .6673 .13 1.17 |
|
MnM2 -.0009 .6702 .9877 .81 1.20 |
|
FeM2 -.0009 .6702 .9877 .13 1.20 |
|
P1 .2465 .2740 .7218 1.12 |
|
P2 .4818 .6931 .9352 1.14 |
|
P3 -.0249 .9360 .6947 1.07 |
|
Be1 .697 .506 .157 1.3 |
|
Be2 .796 .841 .495 1.3 |
|
O1 .1953 .9555 .3260 1.3 |
|
O2 .6954 .3281 .9555 1.4 |
|
O3 .4513 .6185 .8218 1.3 |
|
O4 .3269 .3673 .9918 1.4 |
|
O5 .6742 .5813 .2846 1.7 |
|
O6 .4205 .1690 .7505 1.3 |
|
O7 .0737 .2288 .8365 1.4 |
|
O8 .5091 .8500 .8673 1.4 |
|
O9 .1699 .0091 .6257 1.3 |
|
O10 .1627 .2838 .5797 1.4 |
|
O11 .9369 .8186 .6281 1.2 |
|
O12 -.0057 .1255 .1490 1.5 |
|
OH1 .5632 .8572 .5396 1.4 |
|
OH2 .9312 .4649 .1391 1.3 |
|
Wat1 .7131 .0443 .9543 1.8 |
|
Wat2 .2228 .4887 .3263 1.9 |
|
Wat3 .2648 .6724 .5170 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
|
|   |
|
Fukalite |
 |
Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V |
| |
American Mineralogist 94 (2009) 323-333 |
|
Fukalite: An example of an OD structure with two-dimensional disorder |
|
Locality: Gumeshevsk skarn, Central Urals, Russia |
|
_database_code_amcsd 0004836 |
|
7.573 23.364 11.544 90 109.15 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .4339 .0436 .1247 .012 .009 .014 .012 .000 .002 .000 |
|
Ca1A .9391 .0437 .1237 .012 .008 .014 .011 .000 .002 .000 |
|
Ca4 .3111 -.0452 .3734 .012 .009 .015 .011 .000 .002 .000 |
|
Ca4A .8112 -.0457 .3737 .013 .010 .015 .013 .000 .003 .001 |
|
Ca2 .2768 -.3094 .3037 .015 .012 .016 .013 .001 .000 -.001 |
|
Ca2A .7776 -.3091 .3074 .014 .011 .015 .013 .000 .001 .000 |
|
Ca3 .5957 -.1932 .4398 .014 .011 .014 .013 .000 .000 -.001 |
|
Ca3A .0963 -.1929 .4435 .014 .013 .016 .012 .000 .001 -.001 |
|
Si1 .4743 -.0860 .1237 .014 .014 .015 .013 .000 .002 .000 |
|
Si1A .8998 -.0863 .1257 .014 .014 .014 .013 .001 .002 .000 |
|
Si2 .3946 -.2179 .1218 .015 .016 .016 .012 .001 .002 .000 |
|
Si2A .9798 -.2182 .1274 .015 .016 .016 .012 .000 .002 .000 |
|
C1 .3117 .0816 .3764 .010 |
|
C1A .8149 .0796 .3761 .011 |
|
O1 .1192 .0506 -.0049 .014 |
|
O1A .6267 .0489 -.0037 .013 |
|
O2 .4915 -.0480 .2429 .013 |
|
O2A .0014 -.0473 .2436 .013 |
|
O3 .3657 .0515 .4774 .016 |
|
O3A .8632 .0496 .4773 .016 |
|
O4 .2616 .0538 .2740 .017 |
|
O4A .7608 .0518 .2735 .016 |
|
O5 .3164 .1353 .3792 .020 |
|
O5A .8143 .1332 .3786 .021 |
|
O6 .5335 -.2421 .2457 .019 |
|
O6A -.0246 -.2432 .2542 .019 |
|
O7 .3967 -.2413 -.0067 .019 |
|
O7A .8411 -.2409 .0017 .019 |
|
O8 .1865 -.2414 .1246 .019 |
|
O8A .6880 -.1011 .1275 .021 |
|
O9 .3808 -.1479 .1236 .020 |
|
O9A .9952 -.1482 .1311 .020 |
|
OH1 .3091 -.1443 .3736 .013 |
|
OH1A .8174 -.1437 .3784 .013 |
|
OH2 .4434 .1423 .1298 .013 |
|
OH2A .9347 .1434 .1242 .014 |
|
H1 .2763 -.1503 .2997 .050 |
|
H1A .7735 -.1509 .2973 .050 |
|
H2 .3970 .1509 .0516 .050 |
|
H2A .8984 .1479 .0450 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorvesuvianite |
| |
Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V |
 |
The Canadian Mineralogist 41 (2003) 1371-1380 |
|
Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species |
|
from Pitkaranta, Karelia, Russia: Description and crystal structure |
|
Locality: Pitkaranta, Karelia, Russia |
|
_database_code_amcsd 0005894 |
|
15.5295 15.5295 11.7808 90 90 90 *P4/nnc |
|
.25 .25 .25 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 3/4 1/4 0 .803 .0031 .0029 .0029 .0034 0 0 0 |
|
Si2 .81894 .04068 .87126 .0097 .0093 .0104 .0095 .0004 .0007 .0007 |
|
Si3 .91766 .84952 .36457 .0102 .0135 .0081 .0091 -.0012 .0002 .0008 |
|
Ca1 3/4 1/4 1/4 .0113 .0131 .0099 .0108 0 0 0 |
|
Ca2 .81096 .04346 .37980 .0111 .0095 .0128 .0109 .0010 -.0002 .0001 |
|
Ca3 .89923 .82022 .88711 .0156 .0132 .0130 .0207 .0020 -.0057 -.0026 |
|
Ca4 3/4 3/4 .1428 .50 .0140 .0140 .0140 .014 0 0 0 |
|
Fe1 3/4 3/4 .0500 .50 .0255 .0141 .0141 .048 0 0 0 |
|
Al2 0 0 0 .0103 .0095 .0067 .0148 .0013 .0019 .0003 |
|
Fe3 .88813 .12071 .12691 .046 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
|
Al3 .88813 .12071 .12691 .780 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
|
Mg3 .88813 .12071 .12691 .17 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
|
O1 .7811 .1714 .0869 .0111 .010 .014 .009 -.0006 -.002 -.0042 |
|
O2 .8835 .1594 .2785 .0096 .012 .008 .009 -.0005 -.001 .0016 |
|
O3 .9504 .2782 .4233 .0104 .014 .009 .009 -.0025 -.0027 -.0034 |
|
O4 .1067 -.0627 .0296 .0106 .010 .009 .012 -.0033 -.0004 .0021 |
|
O5 .8305 .0148 .1782 .0121 .009 .012 .015 .0061 .0037 .0008 |
|
O6 .8823 .7288 .0590 .0148 .021 .010 .014 .0034 .003 .0025 |
|
O7 .0564 .1750 .3221 .0122 .011 .013 .013 .0016 -.0002 .0031 |
|
O8 .0906 .0610 .5661 .0104 .010 .009 .012 -.0008 -.0008 -.0028 |
|
O9 .8554 .8554 1/4 .0109 .0115 .0115 .010 -.002 -.0017 .0017 |
|
O10 3/4 3/4 .8642 .0146 .014 .014 .015 0 0 0 |
|
F11 -.0047 .0620 .1374 .72 .0166 .016 .020 .014 -.0006 -.0010 -.0030 |
|
O11 -.0047 .0620 .1374 .28 .0166 .016 .020 .014 -.0006 -.0010 -.0030 |
|
H 3/4 3/4 3/4 .080 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sturmanite |
 |
Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M, |
|
Merlino S, Chukanov N V |
 |
The Canadian Mineralogist 42 (2004) 723-729 |
|
The crystal structure of sturmanite |
|
Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa |
|
_database_code_amcsd 0005934 |
|
11.188 11.188 21.91 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Fe1 0 0 .0527 .29 .0162 |
|
Fe2 0 0 .3015 .30 .0174 |
|
Ca1 .0088 .8133 .9276 .0224 |
|
Ca2 .9966 .1941 .1775 .0298 |
|
S1 1/3 2/3 .5454 .24 .0177 |
|
B1 1/3 2/3 .5378 .09 .020 |
|
S2 1/3 2/3 .8032 .0253 |
|
S3 1/3 2/3 .0571 .0341 |
|
B4 1/3 2/3 .3036 .049 |
|
O1 .9911 .1295 .9935 .028 |
|
O2 .0077 .8616 .1070 .024 |
|
O3 -.0028 .1371 .8609 .024 |
|
O4 .0057 .8691 .2456 .041 |
|
O5 .0023 .3355 .0986 .041 |
|
O6 .0157 .6591 .0077 .040 |
|
O7 .9939 .3553 .2560 .075 |
|
O8 .9952 .6660 .8428 .034 |
|
O9 .2655 .4111 .6759 .056 |
|
O10 .7416 .5858 .4296 .036 |
|
O11 .2397 .3986 .1820 .038 |
|
O12 .7393 .5784 .9240 .084 |
|
O13 1/3 2/3 .4816 .24 .135 |
|
O14 1/3 2/3 .7369 .17 .046 |
|
O14' 1/3 2/3 .8694 .17 .046 |
|
O15 1/3 2/3 .1218 .017 |
|
O16 .1995 .6326 .5671 .025 |
|
O17 .1914 .579 .8233 .50 .044 |
|
O17' .1963 .632 .7728 .50 .044 |
|
O18 .1917 .5844 .0421 .169 |
|
O19 .2325 .7100 .2816 .50 .076 |
|
O19' .1861 .572 .3248 .50 .076 |
|
O20 1/3 2/3 .3702 .17 .091 |
|
O20' 1/3 2/3 .2363 .17 .091 |
|
|
| 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
|
|   |
|
Isolueshite |
 |
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
| |
European Journal of Mineralogy 12 (2000) 597-607 |
|
Crystal structure of isolueshite and its synthetic compositional analogue |
|
Sample: isolueshite |
|
_database_code_amcsd 0006836 |
|
3.909 3.909 3.909 90 90 90 Pm-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 0 0 .75 .0182 .0182 .0182 .0182 0 0 0 |
|
La 0 0 0 .19 .0182 .0182 .0182 .0182 0 0 0 |
|
Ca 0 0 0 .06 .0182 .0182 .0182 .0182 0 0 0 |
|
Nb 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
|
Ti 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
|
O .579 0 1/2 .25 .029 .025 .012 .050 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
|
|   |
|
Isolueshite |
 |
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
| |
European Journal of Mineralogy 12 (2000) 597-607 |
|
Crystal structure of isolueshite and its synthetic compositional analogue |
|
Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3 |
|
_database_code_amcsd 0006837 |
|
7.7842 7.8033 7.7828 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
NaA1 0 .002 1/4 .75 1.47 |
|
LaA1 0 .002 1/4 .25 1.47 |
|
NaA2 0 .499 1/4 .75 1.47 |
|
LaA2 0 .499 1/4 .25 1.47 |
|
NbB 1/4 1/4 0 .5 1.42 |
|
TiB 1/4 1/4 0 .5 1.42 |
|
O1 .215 0 0 2.7 |
|
O2 0 .232 .005 1.7 |
|
O3 .298 .237 1/4 .6 |
|
|
| 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
|
|   |
|
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
|
|   |
|
Surkhobite |
| |
Rastsvetaeva R K, Eskova E M, Dusmatov V D, Chukanov N V, Schneider F |
| |
European Journal of Mineralogy 20 (2008) 289-295 |
|
Surkhobite: revalidation and redefinition with the new formula, |
|
(Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6 |
|
Locality: massif Darai-Pioz, Tajikistan |
|
_database_code_amcsd 0007261 |
|
10.723 13.826 20.791 90 95.00 90 C2 |
|
atom x y z occ Uiso |
|
Ba1 0 .0265 0 .75 .0093 |
|
KBa1 0 .0265 0 .25 .0093 |
|
Ba2 .7508 .7726 .5009 .75 .0199 |
|
KBa2 .7508 .7726 .5009 .25 .0199 |
|
K 0 .5672 0 .55 .0230 |
|
BaK 0 .5672 0 .3 .0230 |
|
Na1 0 .5301 .5 .027 |
|
Na2 0 .031 .5 .024 |
|
Ca .2508 .7749 .0006 .80 .0161 |
|
NaCa .2508 .7749 .0006 .15 .0161 |
|
SrCa .2508 .7749 .0006 .05 .0161 |
|
Fe1 .8768 .5248 .2557 .0115 |
|
Fe2 .1224 .6514 .2478 .0116 |
|
Fe3 .8748 .7770 .2439 .0115 |
|
Mn,Fe1 .8744 .0250 .2543 .545 .0117 |
|
FeMn,Fe1 .8744 .0250 .2543 .455 .0117 |
|
Mn,Fe2 .1231 .3986 .2492 .545 .0138 |
|
FeMn,Fe2 .1231 .3986 .2492 .455 .0138 |
|
Mn1 .8751 .2733 .2441 .0111 |
|
Mn2 .1250 .9017 .2458 .0121 |
|
Mn3 .1239 .1502 .2467 .0099 |
|
Ti1 .7334 .0437 .3998 .0154 |
|
Ti2 .7333 .5446 .3985 .0139 |
|
Ti3 .0166 .2554 .1008 .7925 .0077 |
|
NbTi3 .0166 .2554 .1008 .1425 .0077 |
|
ZrTi3 .0166 .2554 .1008 .025 .0077 |
|
Ti4 .0161 .7942 .1007 .7925 .0112 |
|
NbTi4 .0161 .7942 .1007 .1425 .0112 |
|
ZrTi4 .0161 .7942 .1007 .025 .0112 |
|
Si1 .9796 .1655 .3810 .0121 |
|
Si2 .9822 .6662 .3808 .0130 |
|
Si3 .2575 .4177 .1194 .0086 |
|
Si4 .2842 .9170 .1192 .0081 |
|
Si5 .2836 .1344 .1201 .0098 |
|
Si6 .2562 .6341 .1191 .0120 |
|
Si7 .9806 .3837 .3806 .0117 |
|
Si8 .9811 .8851 .3798 .0122 |
|
O1 .9647 .3914 .3064 .013 |
|
O2 .2794 .4021 .1974 .007 |
|
O3 .9638 .1565 .3030 .009 |
|
O4 .2771 .6441 .1987 .013 |
|
O5 .2900 .1473 .1970 .012 |
|
O6 .1403 .9015 .0873 .009 |
|
O7 .3842 .4007 .0829 .005 |
|
O8 .9669 .6573 .3008 .012 |
|
O9 .2880 .9013 .1994 .010 |
|
O10 .9615 .8956 .3040 .019 |
|
O11 .3764 .2044 .0843 .006 |
|
O12 .7195 .025 .3146 .025 |
|
O13 .0295 .7894 .1865 .005 |
|
O14 .1519 .7067 .0877 .009 |
|
O15 .0275 .2672 .1922 .017 |
|
O16 .7205 .523 .3129 .014 |
|
O17 .3255 .0210 .1013 .004 |
|
O18 .8632 .6393 .4121 .030 |
|
O19 .6007 .9525 .4145 .026 |
|
O20 .1085 .6500 .4132 .024 |
|
O21 .8617 .912 .4136 .044 |
|
O22 .3815 .8458 .0877 .013 |
|
O23 .8724 .101 .4140 .039 |
|
O24 .1092 .1517 .4108 .019 |
|
O25 .6009 .4511 .4135 .022 |
|
O26 .1462 .3491 .0851 .008 |
|
O27 .1393 .1511 .0860 .011 |
|
O28 .8695 .4508 .4118 .026 |
|
O29 .2073 .5265 .0991 .012 |
|
O30 .036 .278 .3922 .064 |
|
O31 .042 .7769 .4011 .024 |
|
O32 .3917 .6493 .0901 .009 |
|
OH1 .0350 .5284 .2092 .015 |
|
OH2 0 .2559 0 .011 |
|
OH3 0 .8053 0 .0067 |
|
F1 .0321 .0159 .2056 .6862 .012 |
|
OF1 .0321 .0159 .2056 .3138 .012 |
|
F2 .2097 .7795 .2956 .6862 .013 |
|
OF2 .2097 .7795 .2956 .3138 .013 |
|
F3 .7402 .0069 .5006 .6862 .014 |
|
OF3 .7402 .0069 .5006 .3138 .014 |
|
F4 .7087 .7767 .2916 .6862 .016 |
|
OF4 .7087 .7767 .2916 .3138 .016 |
|
|
| 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
|
|   |
|
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
|
|   |
|
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
|
|   |
|
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
|
|   |
|
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
|
|   |
|
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
|
|   |
|
Ikranite |
| |
Rastsvetaeva R K, Chukanov N V |
|   |
Crystallography Reports 48 (2003) 717-720 |
|
Ikranite: composition and structure of a new mineral of the eudialyte group |
|
Locality: Mount Karnasurt, Lovozero alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012386 |
|
14.167 14.167 30.081 90 90 120 R3m |
|
atom x y z occ Biso |
|
Zr .3332 .1666 .1669 1.86 |
|
Si1 .0832 .5416 .2573 2.1 |
|
Si2 .1406 .0703 .0804 2.0 |
|
Si3 .0550 .3249 .2366 1.5 |
|
Si4 .2056 .4112 .0788 2.7 |
|
Si5 .5266 .2633 .2538 1.7 |
|
Si6 -.0073 .6052 .0971 1.6 |
|
O1 .0218 .5109 .3017 3.9 |
|
O2 .4127 .3092 .1278 2.3 |
|
O3 .4021 .0342 .0451 4.1 |
|
O4 .0359 .2993 .2881 4.0 |
|
O5 .0939 .3738 .1073 2.7 |
|
O6 .3912 .4377 .2260 2.5 |
|
O7 .2584 .0284 .2053 3.1 |
|
O8 .4452 .2226 .2938 5.8 |
|
O9 .1765 .3530 .2202 2.5 |
|
O10 .1912 .0956 .1259 3.2 |
|
O11 .1808 .3616 .0284 3.6 |
|
O12 .6060 .3940 .2537 3.1 |
|
O13 .2208 .1104 .0389 4.0 |
|
O14 .3951 .6049 .2540 4.8 |
|
O15 .0185 .5092 .1046 4.0 |
|
O16 .0617 .1234 .0740 2.5 |
|
O17 .2725 .5450 .0709 5.0 |
|
O18 .4692 .2346 .2045 3.4 |
|
CaM1 .2626 .0012 .0004 .550 2.21 |
|
MnM1 .2626 .0012 .0004 .233 2.21 |
|
CeM1 .2626 .0012 .0004 .055 2.21 |
|
LaM1 .2626 .0012 .0004 .022 2.21 |
|
NdM1 .2626 .0012 .0004 .006 2.21 |
|
NaM1 .2626 .0012 .0004 .075 2.21 |
|
SrM1 .2626 .0012 .0004 .059 2.21 |
|
Fe3+M2a .4907 .5094 .0016 .70 4.6 |
|
NaM2b .5324 .4676 -.003 .30 9.3 |
|
ZrM3a 1/3 2/3 .0306 .086 1.9 |
|
NbM3a 1/3 2/3 .0306 .032 1.9 |
|
TiM3a 1/3 2/3 .0306 .032 1.9 |
|
SiM3b 1/3 2/3 .0859 .30 1.7 |
|
ZrM4a 1/3 2/3 .2271 .15 2.2 |
|
ZrM4b 1/3 2/3 .2875 .164 2.8 |
|
NbM4b 1/3 2/3 .2875 .068 2.8 |
|
TiM4b 1/3 2/3 .2875 .068 2.8 |
|
NaA1a .1110 .2220 .1528 .494 2.2 |
|
H3OA1a .1110 .2220 .1528 .166 2.2 |
|
H3OA1b .0808 .1616 .1663 .34 3 |
|
NaA2a .5681 .4319 .1730 .70 1.3 |
|
NaA2b .5450 .4550 .1789 .30 2.6 |
|
NaA3a .4648 .2324 .0484 .615 1.4 |
|
H3OA3a .4648 .2324 .0484 .205 1.4 |
|
H30A3b .492 .246 .035 .18 1.2 |
|
NaA4a .2359 .4718 -.0459 .65 2.5 |
|
KA4a .2359 .4718 -.0459 .1 2.5 |
|
SrA4a .2359 .4718 -.0459 .05 2.5 |
|
H3OA4b .266 .533 -.054 .20 1.9 |
|
H3OA5a .391 .609 .159 .073 4 |
|
OHA5a .391 .609 .159 .157 4 |
|
H3OA5b .185 .593 .164 .45 4 |
|
Cl 1/3 2/3 .150 .74 5.3 |
|
OH1 1/3 2/3 .137 .30 7 |
|
OH2 .391 .609 .159 .23 4 |
|
OH3 .259 .518 .3307 .70 6.5 |
|
OH4 .420 .580 -.001 .70 7.1 |
|
Wat1a 0 0 .2250 .7 1.5 |
|
Wat1b 0 0 .199 .3 1.4 |
|
Wat2 2/3 1/3 .0999 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
|
|   |
|
Golyshevite |
| |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A |
|   |
Crystallography Reports 50 (2005) 539-543 |
|
Crystal structure of golyshevite |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012391 |
|
14.231 14.231 29.984 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaA1a .1094 .2188 .1557 .80 .0248 |
|
NaA1b .078 .156 .1734 .20 .015 |
|
NaA2a .5658 .4342 .1754 .89 .0308 |
|
NaA2b .549 .098 .179 .11 .039 |
|
CaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3b .228 .114 .2769 .29 .023 |
|
CaA4a .4528 .2264 .0504 .80 .0261 |
|
NaA4b .491 .245 .036 .10 .023 |
|
KA4b .491 .245 .036 .10 .023 |
|
Na5 .191 .595 .152 .32 .043 |
|
Zr .3324 .1662 .1668 .0180 |
|
Ca .0010 .2608 .0001 .983 .0119 |
|
Ce .0010 .2608 .0001 .017 .0119 |
|
Fe1 .5195 .4805 -.0021 .56 .0166 |
|
Fe2 .0492 .5246 .0033 .17 .0137 |
|
Mn2 .0492 .5246 .0033 .10 .0137 |
|
NbM3a 1/3 2/3 .2890 .18 .022 |
|
AlM3a 1/3 2/3 .2890 .08 .022 |
|
SiM3b 1/3 2/3 .2464 .50 .016 |
|
NbM4a 1/3 2/3 .0410 .39 .0194 |
|
SiM4b 1/3 2/3 .092 .16 .017 |
|
Si1 .5258 .2629 .2502 .011 |
|
Si2 -.0055 .6038 .0970 .0134 |
|
Si3 .2065 .4130 .0770 .018 |
|
Si4 .0872 .5436 .2589 .017 |
|
Si5 .0585 .3282 .2361 .0133 |
|
Si6 .1400 .0700 .0817 .013 |
|
O1 .4816 .2408 .1998 .031 |
|
O2 .2575 .0309 .2089 .034 |
|
O3 .3991 .3006 .1263 .029 |
|
O4 .6061 .3939 .2554 .020 |
|
O5 .4322 .2161 .2875 .016 |
|
O6 .4128 .0347 .0446 .028 |
|
O7 .0987 .3761 .1076 .026 |
|
O8 .0180 .5090 .1149 .029 |
|
O9 .2734 .5468 .0729 .044 |
|
O10 .1828 .3656 .0278 .019 |
|
O11 .0324 .5162 .3061 .023 |
|
O12 .1760 .3520 .2179 .026 |
|
O13 .0471 .3028 .2886 .024 |
|
O14 .3889 .4302 .2277 .028 |
|
O15 .3937 .6063 .2535 .034 |
|
O16 .0628 .1256 .0771 .026 |
|
O17 .1912 .0956 .1302 .028 |
|
O18 .2250 .1125 .0428 .021 |
|
C1 2/3 1/3 .108 .55 .026 |
|
C2 2/3 1/3 .083 .45 .022 |
|
Oc1 .612 .388 .108 .55 .053 |
|
Oc2 .6141 .3859 .0869 .45 .067 |
|
OH1 .265 .530 .324 .33 .030 |
|
OH2 .212 .606 .002 .39 .029 |
|
OH3 1/3 2/3 .145 .16 .064 |
|
OH4 1/3 2/3 .192 .50 .065 |
|
Cl 0 0 .2412 .29 .028 |
|
Wat1 0 0 .263 .24 .034 |
|
Wat2 0 0 .293 .23 .029 |
|
Wat3 0 0 .179 .24 .038 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Rondorfite |
| |
Rastsvetaeva R K, Zadov A E, Chukanov N V |
|   |
Crystallography Reports 53 (2008) 199-205 |
|
Crystal structure of low-symmetry rondorfite |
|
Locality: Kabardino-Balkarian Republic, Northern Caucasus Region, Russia |
|
_database_code_amcsd 0012395 |
|
15.100 15.110 15.092 90.06 90.01 89.93 P1 |
|
atom x y z Biso |
|
Ca1 .2454 .9948 .4940 .71 |
|
Ca2 .7481 .9911 -.0062 1.83 |
|
Ca3 .2399 .4954 -.0029 2.06 |
|
Ca4 .7380 .4943 .4962 1.91 |
|
Ca5 -.0052 .7457 -.0083 .53 |
|
Ca6 -.0052 .4915 .2441 .54 |
|
Ca7 .4984 .2403 -.0033 1.81 |
|
Ca8 .4953 .7391 .4969 2.08 |
|
Ca9 -.0037 .2390 .4969 2.18 |
|
Ca10 .4956 .4932 .7406 2.42 |
|
Ca11 .4965 .9947 .2419 2.15 |
|
Ca12 -.0046 .9976 .7400 1.91 |
|
Ca13 .2439 .2432 .7423 .92 |
|
Ca14 .7438 .7433 .7439 1.74 |
|
Ca15 .2415 .7443 .2451 2.21 |
|
Ca16 .7433 .2401 .2423 2.15 |
|
Ca17 .9014 .6171 .6178 1.87 |
|
Ca18 .6191 .6185 .9038 1.86 |
|
Ca19 .4037 .1181 .6192 1.41 |
|
Ca20 .4032 .6179 .1183 1.29 |
|
Ca21 .1196 .1178 .9023 1.52 |
|
Ca22 .9025 .1178 .1183 1.28 |
|
Ca23 .1179 .6183 .4017 1.34 |
|
Ca24 .6180 .1165 .4021 1.24 |
|
Ca25 .1185 .4034 .6190 2.22 |
|
Ca26 .1190 .9021 .1187 1.42 |
|
Ca27 .6174 .9018 .6173 1.18 |
|
Ca28 .6193 .4020 .1183 1.24 |
|
Ca29 .1197 .3342 .1185 1.03 |
|
Ca30 .6186 .3334 .6177 1.89 |
|
Ca31 .1162 .8329 .6187 1.85 |
|
Ca32 .6183 .8322 .1186 1.75 |
|
Ca33 .3335 .1182 .1193 1.07 |
|
Ca34 .8333 .6172 .1175 1.82 |
|
Ca35 .8336 .1173 .6180 1.92 |
|
Ca36 .3355 .6171 .6174 2.00 |
|
Ca37 .1179 .1191 .3343 .82 |
|
Ca38 .1180 .6160 .8335 1.89 |
|
Ca39 .6191 .1186 .8333 1.93 |
|
Ca40 .6183 .6153 .3332 1.86 |
|
Ca41 .3685 .3676 .1536 2.08 |
|
Ca42 .8679 .3677 .6531 2.05 |
|
Ca43 .8689 .8667 .1510 1.99 |
|
Ca44 .3675 .8677 .6520 1.97 |
|
Ca45 .3693 .6527 .8684 1.71 |
|
Ca46 .8677 .1528 .8711 2.09 |
|
Ca47 .6527 .3679 .8683 2.14 |
|
Ca48 .1517 .8685 .8686 1.83 |
|
Ca49 .1527 .3668 .3682 1.99 |
|
Ca50 .3676 .1517 .3677 2.12 |
|
Ca51 .8683 .6506 .3664 1.91 |
|
Ca52 .6535 .8668 .3672 1.80 |
|
Ca53 .3681 .0843 .8705 1.75 |
|
Ca54 .8696 .0828 .3679 2.11 |
|
Ca55 .8686 .5834 .8664 2.35 |
|
Ca56 .3681 .5839 .3678 2.17 |
|
Ca57 .3707 .3676 .5842 1.82 |
|
Ca58 .8700 .3677 .0828 2.51 |
|
Ca59 .5847 .3679 .3692 1.95 |
|
Ca60 .0830 .8681 .3682 2.19 |
|
Ca61 .0837 .3668 .8681 2.26 |
|
Ca62 .3676 .8672 .0840 2.17 |
|
Ca63 .8667 .8685 .5837 1.97 |
|
Ca64 .5846 .8680 .8684 2.21 |
|
Mg1 .8724 .3678 .8700 1.08 |
|
Mg2 .8669 .8679 .3692 2.03 |
|
Mg3 .3648 .3669 .3685 1.90 |
|
Mg4 .3669 .8682 .8678 2.20 |
|
Mg5 .1209 .6184 .6205 0.51 |
|
Mg6 .1199 .1185 .1160 1.05 |
|
Mg7 .6149 .1159 .6207 1.7 |
|
Mg8 .6150 .6170 .1187 2.2 |
|
Si1 .0041 .5014 -.0039 0.86 |
|
Si2 .0045 .0029 .5038 1.25 |
|
Si3 .5053 .5031 .5089 2.08 |
|
Si4 .5044 .0044 .0034 0.93 |
|
Si5 .2589 .9783 .2578 2.61 |
|
Si6 .7548 .4840 .2505 0.68 |
|
Si7 .2540 .4838 .7529 0.99 |
|
Si8 .7509 .9876 .7526 1.01 |
|
Si9 .9801 .2571 .2559 1.15 |
|
Si10 .4863 .2520 .7532 0.36 |
|
Sil1 .7542 .7557 .9844 1.15 |
|
Si12 .9841 .7510 .7542 2.13 |
|
Si13 .2554 .2540 .9819 0.72 |
|
Si14 .7526 .2521 .4849 1.98 |
|
Si15 .2536 .7463 .4899 2.30 |
|
Si16 .4894 .7510 .2503 2.07 |
|
Si17 .5087 .2303 .2321 1.12 |
|
Si18 .0013 .7328 .2332 1.70 |
|
Si19 .0008 .2375 .7371 1.74 |
|
Si20 .5033 .7369 .7366 1.79 |
|
Si21 .2290 .7297 .0057 0.53 |
|
Si22 .7382 .7368 .5029 1.73 |
|
Si23 .7364 .2358 .0028 1.69 |
|
Si24 .2416 .2346 .5017 2.06 |
|
Si25 .2308 .0064 .7283 0.60 |
|
Si26 .2359 .5025 .2350 1.80 |
|
Si27 .7396 .5002 .7376 2.25 |
|
Si28 .7389 .0001 .2391 2.10 |
|
Si29 .4803 .4790 -.0201 0.70 |
|
Si30 -.0128 .4825 .4811 1.55 |
|
Si31 .4854 -.0154 .4844 2.94 |
|
Si32 -.0091 .9913 -.0088 0.98 |
|
O1 .2630 .0402 .3493 1.7 |
|
O2 .9375 .4454 .9465 1.8 |
|
O3 .8448 .2612 .5423 1.2 |
|
O4 .8486 .7631 .0342 1.4 |
|
O5 .9384 .9368 .4415 1.9 |
|
O6 .4411 .9385 .9436 2.1 |
|
O7 .7619 .5388 .3448 1.8 |
|
O8 .3431 .7658 .5422 2.1 |
|
O9 .7647 .0379 .8468 1.5 |
|
O10 .0947 .7276 .2910 1.7 |
|
O11 .6429 .0114 .2911 1.8 |
|
O12 .2614 .5390 .8460 2.1 |
|
O13 .3483 .2610 .0383 1.4 |
|
O14 .5946 .5131 .4460 1.7 |
|
O15 .0400 .3475 .2651 0.8 |
|
O16 .4381 .4393 .4386 1.9 |
|
O17 .5427 .8382 .2595 1.6 |
|
O18 .0340 .8451 .7619 2.3 |
|
O19 .5414 .3469 .7616 2.4 |
|
O20 .2910 .6406 .0107 1.7 |
|
O21 .7890 .1408 .0129 1.9 |
|
O22 .2235 .2894 .5959 1.4 |
|
O23 .0940 .2215 .7909 1.5 |
|
O24 .1433 .5161 .2905 2.2 |
|
O25 .6433 .5112 .7901 1.6 |
|
O26 .5987 .2191 .2893 1.8 |
|
O27 .0090 .2878 .6423 1.8 |
|
O28 .7891 .6433 .5147 1.8 |
|
O29 .5931 .7229 .7840 2.4 |
|
O30 .5160 .7871 .6409 2.1 |
|
O31 .1428 .0136 .7848 1.5 |
|
O32 .5172 .2880 .1456 1.7 |
|
O33 .2199 .7895 .0947 2.0 |
|
O34 .0971 .5108 .9463 0.9 |
|
O35 .5121 .9468 .0916 2.1 |
|
O36 .0174 .7859 .1393 1.6 |
|
O37 .2874 .1413 .5142 1.6 |
|
O38 .7238 .7899 .5913 2.1 |
|
O39 .1432 .2197 .4534 2.1 |
|
O40 .7239 .2897 .0938 1.7 |
|
O41 .5121 .4464 .5948 1.2 |
|
O42 .8934 .9726 .0416 1.5 |
|
O43 .3947 .7618 .1969 2.0 |
|
O44 .7922 .0926 .2255 1.7 |
|
O45 .9496 .5918 .0103 2.2 |
|
O46 .9780 .0432 .8903 1.6 |
|
O47 .2934 .0889 .7212 1.9 |
|
O48 .8926 .7641 .6964 1.4 |
|
O49 .6904 .0466 .6888 2.4 |
|
O50 .7647 .1970 .3899 1.5 |
|
O51 .2667 .1981 .8927 2.0 |
|
O52 .6396 .2202 .9435 1.7 |
|
O53 .9738 .5382 .3933 2.0 |
|
O54 .0181 .4472 .0932 1.7 |
|
O55 .5946 .0153 .9460 2.8 |
|
O56 .1886 .5429 .6870 1.6 |
|
O57 .9469 .6428 .2226 1.9 |
|
O58 .1982 .8892 .2655 1.7 |
|
O59 .5385 .3901 .9740 1.7 |
|
O60 .4469 .5933 .5189 1.6 |
|
O61 .1468 .7233 .9430 2.0 |
|
O62 .7867 .5936 .7206 1.5 |
|
O63 .4707 .0368 .3872 2.3 |
|
O64 .0417 .8904 .9726 2.0 |
|
O65 .3922 .4725 .0360 2.2 |
|
O66 .6889 .5466 .1925 2.1 |
|
O67 .0921 .0175 .4460 2.2 |
|
O68 .6955 .8930 .7618 1.7 |
|
O69 .4475 .1409 .2221 1.7 |
|
O70 .1957 .0435 .1894 2.0 |
|
O71 .8920 .4736 .5390 2.3 |
|
O72 .4464 .6405 .7212 2.4 |
|
O73 .3876 .2604 .6974 1.8 |
|
O74 .7600 .6987 .8899 2.3 |
|
O75 .0389 .3916 .4716 1.0 |
|
O76 .3903 .9747 .5371 1.6 |
|
O77 .4707 .5371 .8912 2.0 |
|
O78 .1987 .3910 .7631 1.8 |
|
O79 .6432 .7248 .4465 2.3 |
|
O80 .0123 .9450 .5949 2.1 |
|
O81 .4444 .2958 .2962 2.3 |
|
O82 .8941 .2648 .1951 2.3 |
|
O83 .7978 .4398 .7972 2.1 |
|
O84 .7230 .9437 .1413 1.9 |
|
O85 .9491 .1410 .7208 1.8 |
|
O86 .4456 .0954 .0121 2.7 |
|
O87 .7958 .9383 .2943 1.9 |
|
O88 .2992 .2949 .4417 1.9 |
|
O89 .2983 .9349 .7982 2.0 |
|
O90 .9463 .0923 .5119 2.0 |
|
O91 .8489 .9706 .6982 2.0 |
|
O92 .3457 .9714 .1924 1.1 |
|
O93 .1888 .6873 .5431 2.0 |
|
O94 .7015 .3855 .2623 2.3 |
|
O95 .8451 .4734 .1985 1.9 |
|
O96 .2932 .5978 .2250 1.8 |
|
O97 .2001 .3435 .9703 2.3 |
|
O98 .7997 .2970 .9429 2.4 |
|
O99 .7943 .7993 .4373 1.9 |
|
O100 .1982 .8443 .4802 1.6 |
|
O101 .6894 .1914 .5479 2.6 |
|
O102 .2970 .4402 .2936 2.6 |
|
O103 .5415 .8875 .4762 2.2 |
|
O104 .9407 .2940 .7899 2.0 |
|
O105 .1900 .1875 .0457 1.8 |
|
O106 .2936 .7930 .9386 2.5 |
|
O107 .6939 .8438 .9696 1.8 |
|
O108 .7230 .4483 .6426 2.2 |
|
O109 .4745 .1955 .8453 1.6 |
|
O110 .2195 .9450 .6485 1.8 |
|
O111 .4716 .6940 .3460 1.6 |
|
O112 .9387 .7942 .2973 2.4 |
|
O113 .3453 .4749 .6984 2.7 |
|
O114 .9759 .1964 .3416 2.1 |
|
O115 .2605 .6957 .3902 1.8 |
|
O116 .4381 .7947 .8006 1.6 |
|
O117 .5466 .1872 .6927 1.6 |
|
O118 .2246 .4483 .1421 2.0 |
|
O119 .0476 .1870 .1845 1.9 |
|
O120 .6949 .3470 .4702 1.8 |
|
O121 .6929 .6924 .0491 1.6 |
|
O122 .9767 .6932 .8475 2.2 |
|
O123 .0455 .5469 .5516 2.1 |
|
O124 .5395 .6887 .1860 2.6 |
|
O125 .0485 .0449 .0472 1.8 |
|
O126 .5410 .0539 .5470 2.2 |
|
O127 .0513 .6899 .6926 1.6 |
|
O128 .5449 .5418 .0495 1.7 |
|
Cl1 .7405 .7422 .2389 1.80 |
|
Cl2 .7446 .2429 .7441 2.17 |
|
Cl3 .2466 .7416 .7456 2.13 |
|
Cl4 .2467 .2465 .2488 1.92 |
|
Cl5 .7409 .4945 .9924 1.70 |
|
Cl6 .7431 .9907 .4943 2.00 |
|
Cl7 .9890 .4908 .7410 1.94 |
|
Cl8 .2468 .9918 .9939 2.35 |
|
Cl9 .4904 .4928 .2450 1.96 |
|
Cl10 .2477 .4896 .4917 2.33 |
|
Cl11 -.0058 .2427 .9965 2.01 |
|
Cl12 -.0021 .9892 .2447 2.02 |
|
Cl13 -.0071 .7442 .4914 2.24 |
|
Cl14 .4940 .9907 .7454 2.18 |
|
Cl15 .4941 .7423 .9941 1.83 |
|
Cl16 .4896 .2451 .4882 2.21 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Britvinite |
| |
Yakubovich O V, Massa W, Chukanov N V |
|   |
Crystallography Reports 53 (2008) 206-215 |
|
Crystal structure of britvinite [Pb7(OH)3F(BO3)2(CO3)][Mg4.5(OH)3(Si5O14)]: |
|
A new layered silicate with an original type of silicon-oxygen networks |
|
Locality: Varmland, Sweden |
|
_database_code_amcsd 0012396 |
|
9.3409 9.3579 18.8333 80.365 75.816 59.870 P-1 |
|
atom x y z occ Uiso |
|
Si1 .6638 .6431 .34874 .0149 |
|
Si2 .3603 .2950 .34902 .0142 |
|
Si3 .6753 .9600 .35497 .0147 |
|
Si4 .3423 .6272 .35457 .0135 |
|
Si5 .0107 .9466 .34929 .0132 |
|
Mg1 .5 .5 .5 .0136 |
|
Mg2 .8369 .1664 .4964 .0134 |
|
Mg3 .1671 .1689 .4959 .0131 |
|
Mg4 .8354 .4987 .4971 .0128 |
|
Mg5 .4993 .8330 .5000 .0134 |
|
Pb1 .06509 .53207 .23857 .952 .02045 |
|
Pb1A .173 .653 .234 .020 .032 |
|
Pb1B .973 .719 .236 .012 .032 |
|
Pb2 .28960 .07376 .23590 .961 .01878 |
|
Pb2A .406 .875 .235 .020 .032 |
|
Pb2B .502 .973 .238 .012 .032 |
|
Pb3 .82941 .30837 .23655 .958 .01878 |
|
Pb3A .744 .191 .240 .016 .032 |
|
Pb3B .631 .409 .241 .014 .032 |
|
Pb4 .77275 .97209 .14948 .964 .0299 |
|
Pb5 .4359 .6395 .1480 .60 .0279 |
|
Pb5A .4405 .6609 .1383 .35 .0341 |
|
Pb6 .836 .2432 .9967 .44 .0463 |
|
Pb6A .9190 .2396 .0138 .202 .0318 |
|
Pb6B .785 .280 .0043 .26 .042 |
|
Pb6C .7228 .379 .0015 .053 .032 |
|
Pb7 .1188 .3166 .0776 .433 .0521 |
|
Pb7A .1397 .3622 .0772 .346 .0237 |
|
Pb8 .5716 .0521 .9995 .283 .0302 |
|
Pb8A .6098 .9712 .9857 .176 .0248 |
|
C1 .783 .6505 .1168 .028 |
|
B1 .1071 .9784 .1280 .022 |
|
B2 .447 .315 .1284 .734 .013 |
|
Si6 .4644 .3212 .0808 .266 .013 |
|
O1 .6361 .6207 .4378 .0151 |
|
O2 .4502 .6770 .0277 .046 |
|
O3 .2322 .2934 .3054 .0211 |
|
O4 .0331 .3816 .5564 .0156 |
|
O5 .9680 .2829 .4432 .0132 |
|
O6 .3665 .7153 .5560 .0154 |
|
O7 .9717 .9504 .4385 .0151 |
|
O8 .3071 .2874 .4375 .0140 |
|
O9 .8351 .5024 .3064 .0221 |
|
O10 .7005 .0494 .5553 .0149 |
|
O11 .6361 .9507 .4430 .0148 |
|
O12 .3047 .6156 .4422 .0135 |
|
O13 .3748 .4629 .3202 .0219 |
|
O14 .8677 .9271 .3216 .0233 |
|
O15 .5075 .6496 .3310 .0214 |
|
O16 .5487 .1418 .3226 .0204 |
|
O17 .1873 .7824 .3220 .0223 |
|
O18 .9177 .6512 .1166 .034 |
|
O19 .0212 .1055 .3048 .0231 |
|
O20 .7507 .0182 .8746 .036 |
|
O21 .8245 .0065 .0289 .030 |
|
O22 .6533 .8235 .3222 .0197 |
|
O23 .8937 .1607 .8732 .028 |
|
O24 .7797 .5148 .1155 .035 |
|
O25 .6452 .7867 .1218 .037 |
|
O26 .3023 .4579 .1222 .045 |
|
O27 .5825 .3152 .1299 .039 |
|
O28 .4502 .1720 .1273 .035 |
|
O29 .9599 .1223 .1307 .034 |
|
F1 .0789 .3118 .1942 .719 .0107 |
|
F1a .101 .317 .1472 .281 .0107 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Jinshajiangite |
 |
Rastsvetaeva R K, Chukanov N V, Rozenberg K |
|   |
Crystallography Reports 53 (2008) 553-556 |
|
A crystal structure of jinshajiangite from the Norra Karr complex (Sweden) |
|
Locality: Norra Karr alkaline complex, Sweden |
|
_database_code_amcsd 0012410 |
|
5.350 6.909 20.96 90 99.83 90 P2/m |
|
atom x y z occ Biso |
|
BaBa 0 .5 .5 .8 1.8 |
|
KBa 0 .5 .5 .2 1.8 |
|
Na .5 0 .5 3.8 |
|
KK 0 0 0 .6 2.3 |
|
BaK 0 0 0 .4 2.3 |
|
CaCa .5 .5 0 .76 2.5 |
|
BaCa .5 .5 0 .24 2.5 |
|
Si1 .5809 .2246 .1182 1.4 |
|
Si2 .424 .292 .3792 1.3 |
|
Ti1 .924 0 .3966 1.4 |
|
TiTi2 .0609 .5 .1013 .8 2.0 |
|
NbTi2 .0609 .5 .1013 .1 2.0 |
|
ZrTi2 .0609 .5 .1013 .1 2.0 |
|
FeFe1 .0010 .2542 .2491 .75 1.4 |
|
MnFe1 .0010 .2542 .2491 .25 1.4 |
|
FeFe2 .5053 .5 .2463 .75 1.1 |
|
MgFe2 .5053 .5 .2463 .25 1.1 |
|
FeFe3 .5126 0 .2570 .75 1.0 |
|
MnFe3 .5126 0 .2570 .25 1.0 |
|
O1 .633 .260 .2004 .5 |
|
OH2 .143 0 .2053 2.1 |
|
OH3 .5 .5 .5 3.2 |
|
OH4 .884 .5 .2900 1.2 |
|
O5 .368 .284 .3052 1.3 |
|
O6 .862 0 .312 2.3 |
|
O7 .319 .262 .0829 1.6 |
|
OH8 0 .5 0 1.4 |
|
O9 .806 .299 .0879 1.1 |
|
O10 .488 0 .1023 2.5 |
|
O11 .317 .5 .4032 1.7 |
|
O12 .688 .154 .4091 4.9 |
|
O13 .241 .160 .415 5.3 |
|
OH14 0 0 .5 5.9 |
|
OH15 .5 0 0 5.6 |
|
F .131 .5 .1878 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
|
|   |
|
Saleeite |
 |
Yakubovich O V, Steele I M, Atencio D, Menezes L A, Chukanov N V |
|   |
Crystallography Reports 53 (2008) 764-770 |
|
Crystal structure of the (Mg,Fe)[UO2(P,As)O4]2*10H2O solid solution- |
|
a novel mineral variety of saleeite |
|
Locality: Eduardo Mine, Galileia County, Minas Gerais, Brazil |
|
_database_code_amcsd 0012411 |
|
6.952 19.865 6.969 90 90.806 90 P2_1/n |
|
atom x y z occ Uiso |
|
MgMg 0 .5 0 .810 .0123 |
|
FeMg 0 .5 0 .190 .0123 |
|
O1 .5057 .2029 .3410 .0131 |
|
O2 .5224 .2962 .0117 .0112 |
|
O3 .6069 .1999 .6932 .0136 |
|
O4 .5576 .1173 .0202 .0124 |
|
O5 .2236 .2012 .9749 .0130 |
|
O6 .8747 .2070 .0740 .0136 |
|
O7 .9031 .4964 .2733 .0161 |
|
O8 .7697 .5683 .9272 .0149 |
|
O9 .1704 .5808 .0676 .0163 |
|
O10 .5651 .4298 .3613 .0207 |
|
O11 .5255 .5854 .2373 .0163 |
|
Hl .708 .570 .031 .014 |
|
H2 .785 .609 .898 .014 |
|
H3 .620 .392 .373 .05 |
|
H4 .91 .525 .363 .08 |
|
H5 .111 .618 .070 .04 |
|
H6 .532 .415 .251 .05 |
|
H7 .264 .571 .142 .04 |
|
H8 .53 .561 .338 .14 |
|
H9 .57 .622 .29 .14 |
|
Hl0 .789 .481 .27 .08 |
|
U .54987 .20666 .01584 .00964 |
|
PP .05400 .25117 .02067 .670 .0087 |
|
AsP .05400 .25117 .02067 .330 .0087 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Uramarsite |
| |
Rastsvetaeva R K, Sidorenko G A, Ivanova A G, Chukanov N V |
|   |
Crystallography Reports 53 (2008) 771-774 |
|
Structural model of uramarsite |
|
Locality: South Kazakhstan |
|
_database_code_amcsd 0012412 |
|
7.173 7.167 9.30 90.13 90.09 89.96 P1 |
|
atom x y z occ |
|
NH4 .654 .339 .738 |
|
H3O .670 .747 .692 .72 |
|
NH4 .670 .747 .692 .15 |
|
Na .670 .747 .692 .09 |
|
U1 .034 .061 .002 |
|
U2 .535 .557 .199 |
|
As .532 .060 .101 |
|
PP .032 .558 .103 .78 |
|
AsP .032 .558 .103 .22 |
|
O1 .537 .554 .005 |
|
O2 .039 .749 -.003 |
|
O3 .718 .061 .000 |
|
O4 .021 .375 .003 |
|
O5 .541 .249 .209 |
|
O6 .038 .000 .809 |
|
O7 .357 .065 -.005 |
|
O8 .498 .874 .207 |
|
O9 .000 .000 .200 |
|
O10 .854 .548 .210 |
|
O11 .180 .550 .220 |
|
O12 .513 .509 .391 |
|
Wat1 .739 .109 .498 |
|
Wat2 .279 .222 .449 |
|
Wat3 .279 .396 .742 |
|
Wat4 .154 .758 .569 |
|
Wat5 .306 .712 .794 |
|
Wat6 .464 .023 .552 |
|
|
| 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
|
|   |
|
Afwillite |
 |
Rastsvetaeva R K, Chukanov N V, Zadov A E |
|   |
Crystallography Reports 54 (2009) 418-422 |
|
Refined structure of afwillite from the northern Baikal region |
|
Locality: Yoko Dovyrensky massif, northern Baikal region, Russia |
|
_database_code_amcsd 0012415 |
|
16.330 5.6389 11.685 90.08 126.446 89.95 P1 |
|
atom x y z Biso |
|
Ca1 .1107 .4885 .6475 1.27 |
|
Ca2 .6079 .9944 .6464 1.08 |
|
Ca3 .1105 .0901 .1474 1.22 |
|
Ca4 .6081 .5930 .1463 1.13 |
|
Ca5 .9249 .0045 .5663 1.02 |
|
Ca6 .4241 .5046 .5676 1.08 |
|
Ca7 .9932 .5143 .8307 1.40 |
|
Ca8 .4917 .0125 .8255 1.16 |
|
Ca9 .4242 .0779 .0653 .99 |
|
Ca10 .9250 .5798 .0689 1.06 |
|
Ca11 .9925 .0706 .3303 1.41 |
|
Ca12 .4924 .5693 .3257 1.15 |
|
OW1 .8423 .9316 .0882 1.2 |
|
OW2 .3429 .4428 .0933 2.2 |
|
OW3 .8424 .6506 .5878 1.4 |
|
OW4 .3423 .1446 .5919 1.9 |
|
OW5 .6705 .0148 .0895 2.8 |
|
OW6 .6746 .5753 .5957 2.61 |
|
OW7 .1719 .5095 .0949 1.74 |
|
OW8 .1680 .0704 .5910 1.86 |
|
Si1 .8848 .5087 .3508 1.29 |
|
Si2 .3881 .0327 .3612 .32 |
|
Si3 .1369 .9873 .8602 .80 |
|
Si4 .6335 .4947 .8543 1.14 |
|
Si5 .8880 .0634 .8583 .84 |
|
Si6 .3854 .5592 .8557 1.01 |
|
Si7 .1348 .5929 .3578 .82 |
|
Si8 .6356 .0933 .3566 1.09 |
|
O1 .0654 .7773 .7531 1.3 |
|
O2 .5656 .2668 .7526 1.1 |
|
O3 .3628 .9518 .2011 1.4 |
|
O4 .8630 .4491 .2004 1.4 |
|
O5 .0753 .2305 .7809 1.3 |
|
O6 .5738 .7358 .7751 1.3 |
|
O7 .2793 .0197 .3349 1.0 |
|
O8 .7773 .5213 .3354 1.6 |
|
O9 .0655 .8133 .2518 1.3 |
|
O10 .5655 .3123 .2537 1.1 |
|
O11 .8632 .1346 .7006 1.4 |
|
O12 .3624 .6325 .7012 1.4 |
|
O13 .4441 .2750 .4161 1.8 |
|
O14 .9462 .7693 .4207 1.1 |
|
O15 .0767 .3514 .2786 .9 |
|
O16 .5728 .8498 .2783 1.5 |
|
O17 .4454 .3071 .9192 1.7 |
|
O18 .9453 .8172 .9180 1.1 |
|
O19 .9601 .3099 .4643 1.3 |
|
O20 .4593 .8049 .4617 1.1 |
|
O21 .4589 .7789 .9596 1.3 |
|
O22 .9599 .2746 .9651 1.1 |
|
O23 .7784 .0665 .8351 1.1 |
|
O24 .2791 .5622 .8373 1.4 |
|
Oh1 .7453 .4838 .8708 1.2 |
|
Oh2 .2439 .9904 .8744 1.5 |
|
Oh3 .6655 .4492 .0149 1.7 |
|
Oh4 .1641 .6303 .5137 1.6 |
|
Oh5 .1671 .9552 .0167 1.2 |
|
Oh6 .6688 .1328 .5179 1.3 |
|
Oh7 .7462 .0967 .3753 1.3 |
|
Oh8 .2434 .5975 .3685 1.4 |
|
H1 .75 .04 .31 |
|
H2 .76 .55 .81 |
|
H3 .24 .56 .31 |
|
H4 .24 .05 .81 |
|
H5 .21 .01 .10 |
|
H6 .32 .56 .06 |
|
H7 .82 .07 .06 |
|
H8 .70 .54 .08 |
|
H9 .81 .54 .56 |
|
H10 .34 -.01 .61 |
|
H11 .21 .56 .60 |
|
H12 .71 .05 .59 |
|
H13 .69 .43 .59 |
|
H14 .30 .20 .58 |
|
H15 .79 .70 .59 |
|
H16 .18 .66 .06 |
|
H17 .20 .09 .68 |
|
H18 .87 .76 .18 |
|
H19 .67 .25 .06 |
|
H20 .70 .49 .69 |
|
H21 .35 .36 .07 |
|
H22 .16 .44 .03 |
|
H23 .17 -.09 .57 |
|
H24 .65 -.05 .03 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Zanazziite |
 |
Rastsvetaeva R K, Rozenberg K A, Chukanov N V, Mockel S |
|   |
Crystallography Reports 54 (2009) 568-571 |
|
The crystal structure of an iron-rich variety of zanazziite belonging to |
|
heteropolyhedral framework roscherite-group beryllophosphates |
|
Locality: Sapucaia mine, Minas Gerais, Brazil |
|
_database_code_amcsd 0012416 |
|
15.876 11.860 6.607 90 95.490 90 C2/c |
|
atom x y z occ Biso |
|
CaA 0 .2594 .25 1.38 |
|
MgA1 0 0 0 .65 .46 |
|
FeA1 0 0 0 .35 .46 |
|
MgB2 .1714 .1630 .9958 .48 1.25 |
|
FeB2 .1714 .1630 .9958 .31 1.25 |
|
AlB .1714 .1630 .9958 .13 1.25 |
|
MnB .1714 .1630 .9958 .09 1.25 |
|
Be .3327 .1774 .3032 1.2 |
|
P1 .1877 .1162 .4776 .89 |
|
P2 0 .2726 .75 1.01 |
|
O1 .3557 .4981 .5003 1.4 |
|
O2 .2825 .0996 .4499 1.3 |
|
O3 .1445 .1826 .2969 1.2 |
|
O4 .3196 .3155 .3247 1.1 |
|
O5 .4583 .3002 .0747 1.6 |
|
O6 .4343 .1510 .3416 1.4 |
|
Oh1 .2998 .1642 .0635 1.3 |
|
Wat1 0 .0403 .25 .5 1.6 |
|
OH2 0 .0403 .25 .5 1.6 |
|
OW2 .0933 .4197 .2196 3.7 |
|
H1 .077 .484 .18 3.0 |
|
H2 .175 .377 .98 3.0 |
|
H3 .124 .421 .32 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
|
|   |
|
Cancrinite |
 |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
|   |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
Note: Enraf Nonius diffractometer |
|
_database_code_amcsd 0012418 |
|
12.688 12.688 5.189 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Na1 2/3 1/3 .1273 .71 2.9 |
|
K .1092 .2215 .298 .06 4.3 |
|
Ca 2/3 1/3 .1273 .03 2.9 |
|
Si .3302 .4133 .7506 1.35 |
|
Al .0762 .4141 .7513 1.34 |
|
O1 .2031 .4042 .6740 2.3 |
|
O2 .1191 .5657 .7278 2.9 |
|
O3 .0253 .3536 .0552 2.4 |
|
O4 .3220 .3608 .0385 2.4 |
|
Na2 .1311 .2635 .2824 .46 3.0 |
|
Na3 .1092 .2215 .298 .22 4.3 |
|
Na4 .1473 .3011 .284 .26 3.1 |
|
C1 0 0 .287 .20 2.8 |
|
O5 .115 .057 .285 .20 3.3 |
|
C2 0 0 .427 .30 2.4 |
|
O6 .090 .095 .491 .30 4.0 |
|
Wat .300 .608 .188 .25 3.8 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cancrinite |
 |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
|   |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
Note: Bruker SMART CCD diffractometer |
|
_database_code_amcsd 0012419 |
|
12.688 12.688 5.189 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Si .3301 .4131 .7506 1.1 |
|
Al .0762 .4142 .7512 1.1 |
|
O1 .2034 .4045 .6747 2.0 |
|
O2 .1191 .5653 .7293 2.8 |
|
O3 .0260 .3538 .0541 2.1 |
|
O4 .3226 .3608 .0375 2.1 |
|
Na1 2/3 1/3 .1254 .73 2.5 |
|
Ca 2/3 1/3 .1254 .04 2.5 |
|
Na2 .1326 .2674 .2883 .52 2.4 |
|
Na3 .1102 .2202 .287 .21 4.7 |
|
K .1102 .2202 .287 .05 4.7 |
|
Na4 .1539 .3134 .281 .22 2.6 |
|
C1 0 0 .297 .20 3.2 |
|
O5 .116 .060 .303 .20 5.5 |
|
C2 0 0 .512 .30 2.4 |
|
O6 .102 .090 .524 .30 5.2 |
|
Wat .306 .620 .190 .25 4.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Davyne |
 |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
|   |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Sar-e Sang mine, Badakhshan, Afghanistan |
|
_database_code_amcsd 0012420 |
|
12.773 12.773 5.334 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Na1 .1579 .3108 .268 .50 .025 |
|
Na2 .1163 .2292 .267 .37 .049 |
|
Ca 2/3 1/3 .2042 .011 |
|
K .1163 .2292 .267 .13 .049 |
|
Si .0811 .4114 .7446 .0098 |
|
Al .3385 .4102 .7440 .0091 |
|
O1 .2128 .4253 .704 .019 |
|
O2 .1079 .5490 .735 .019 |
|
O3 .0234 .3449 .0073 .019 |
|
O4 .3275 .3358 .023 .016 |
|
Cl 1/3 2/3 .2079 .085 |
|
S 0 0 .265 .50 .011 |
|
O5 .069 .110 .14 .25 .057 |
|
O6 .031 .109 .38 .25 .045 |
|
O7 0 0 .51 .50 .069 |
|
|
| 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
|
|   |
|
Novgorodovaite |
| |
Rastsvetaeva R K, Chukanov N V, Nekrasov Y V |
|   |
Doklady Akademii Nauk SSSR 381 (2001) 353-355 |
|
Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O |
|
_database_code_amcsd 0012496 |
|
6.936 7.382 7.443 90 94.3 90 I2/m |
|
atom x y z Biso |
|
Ca .2514 0 -.1359 .92 |
|
C 0 .1053 .5 .99 |
|
O1 .1190 .1811 .6106 1.21 |
|
Cl .3585 0 .2350 1.26 |
|
Ow2 0 .1891 0 1.36 |
|
H .056 .241 .081 1 |
|
|
| 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
|
|   |
|
Khaidarkanite |
| |
Rastsvetaeva R K, Chukanov N V, Karpenko V Y |
|   |
Doklady Chemistry 353 (1997) 45-48 |
|
Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2 |
|
Locality: Khaidarkan, Kyrgyzstan |
|
_database_code_amcsd 0012502 |
|
12.326 2.907 10.369 90 97.90 90 C2/m |
|
atom x y z occ Biso |
|
Cu .1747 0 .7085 1.21 |
|
Al1 .5 0 .5 1.01 |
|
Al2 0 0 0 .49 2.9 |
|
Oh1 -.0949 0 .5228 1.3 |
|
Oh2 .5630 0 .6813 1.3 |
|
Oh3 .7780 0 .7160 1.5 |
|
F .5446 0 .1108 .73 4.8 |
|
Ow4 .8472 0 .0569 4.6 |
|
H1 .146 0 .416 |
|
H2 .474 0 .259 |
|
H3 .155 0 .220 |
|
H4 .168 .263 .998 .5 |
|
H5 .235 0 .956 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tsepinite-Na |
| |
Rastsvetaeva R K, Organova N I, Rozhdestvenskaya I V, Shlyukova Z V, Chukanov N V |
|   |
Doklady Chemistry 371 (2000) 52-56 |
|
Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group |
|
from Khibiny massif |
|
Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012504 |
|
14.604 14.274 7.933 90 117.40 90 Cm |
|
atom x y z occ Biso |
|
Na1 .770 0 .475 .47 5.3 |
|
Na2 .275 0 .485 .62 6.2 |
|
K .082 0 .301 .38 5.7 |
|
Wat .082 0 .301 .22 5.7 |
|
Ba .892 0 .631 .08 3.2 |
|
Sr .015 0 .495 .20 4.2 |
|
Fe .015 0 .495 .02 4.2 |
|
TiM1 .0097 .7643 .4915 .7 2.3 |
|
NbM1 .0097 .7643 .4915 .3 2.3 |
|
NbM2 .7624 .7487 .4868 .6 3.1 |
|
TiM2 .7624 .7487 .4868 .4 3.1 |
|
Si1 .2170 .8896 .7800 1.9 |
|
Si2 .6982 .8897 .7498 1.3 |
|
Si3 .8108 .8901 .1926 1.2 |
|
Si4 .3277 .8896 .2265 1.7 |
|
OH31 .507 .809 .985 .32 7.8 |
|
KOH31 .507 .809 .985 .03 7.8 |
|
OH32 -.008 .821 .001 .26 9.8 |
|
OH33 .096 .7601 -.016 .39 8.7 |
|
O1 .9164 .7581 .589 1.4 |
|
O2 .9306 .8642 .306 2.9 |
|
O3 .260 .865 .326 3.9 |
|
O4 .2745 .8260 .698 4.5 |
|
O5 .4402 .8295 .303 2.0 |
|
O6 .3615 0 .252 2.1 |
|
O7 .2569 .877 -.002 4.4 |
|
O8 .2241 0 .752 3.5 |
|
O9 .1182 .7682 .383 3.0 |
|
O10 .0941 .8647 .660 2.6 |
|
O11 .7623 .8593 .630 .7 |
|
O12 .7409 .8352 .270 1.1 |
|
O13 .5965 .8304 .683 2.2 |
|
O14 .6791 0 .734 2.0 |
|
O15 .7733 .8644 .972 1.7 |
|
O16 .779 0 .195 3.3 |
|
Wat1 .445 0 .691 3.2 |
|
Wat2 .023 0 .057 .37 8.7 |
|
Wat3 .552 0 .171 .71 9.9 |
|
Wat4 -.021 0 .783 .20 7.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ikranite |
| |
Ekimenkova I A, Rastsvetaeva R K, Chukanov N V, Khasanov S S |
|   |
Doklady Chemistry 371 (2000) 65-69 |
|
Crystal structure of an oxonium-containing analogue of eudialyte |
|
Locality: Karnasurt Mountains, Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012505 |
|
14.167 14.167 30.081 90 90 120 R3m |
|
atom x y z occ Biso |
|
Zr .3332 .1666 .1669 1.86 |
|
Ca .4052 .3345 .3337 .550 2.21 |
|
Mn .4052 .3345 .3337 .233 2.21 |
|
Ce .4052 .3345 .3337 .083 2.21 |
|
Na .4052 .3345 .3337 .075 2.21 |
|
Sr .4052 .3345 .3337 .059 2.21 |
|
Si1 .0832 .5416 .2573 2.1 |
|
Si2 .1406 .0703 .0804 2.0 |
|
Si3 .0550 .3249 .2366 1.5 |
|
Si4 .2056 .4112 .0788 2.7 |
|
Si5 .5266 .2633 .2538 1.7 |
|
Si6 -.0073 .6052 .0971 1.6 |
|
O1 .0218 .5109 .3017 3.9 |
|
O2 .4127 .3092 .1278 2.3 |
|
O3 .4021 .0342 .0451 4.1 |
|
O4 .0359 .2993 .2881 4.0 |
|
O5 .0939 .3738 .1073 2.7 |
|
O6 .3912 .4377 .2260 2.5 |
|
O7 .2584 .0284 .2053 3.1 |
|
O8 .4452 .2226 .2938 5.8 |
|
O9 .1765 .3530 .2202 2.5 |
|
O10 .1912 .0956 .1259 3.2 |
|
O11 .1808 .3616 .0284 3.6 |
|
O12 .6060 .3940 .2537 3.1 |
|
O13 .2208 .1104 .0389 4.0 |
|
O14 .3951 .6049 .2540 4.8 |
|
O15 .0185 .5092 .1046 4.0 |
|
O16 .0617 .1234 .0740 2.5 |
|
O17 .2725 .5450 .0709 5.0 |
|
O18 .4692 .2346 .2045 3.4 |
|
Fe .1573 .3146 .3349 .70 4.6 |
|
ZrM1 1/3 2/3 .0306 .086 1.9 |
|
NbM1 1/3 2/3 .0306 .032 1.9 |
|
TiM1 1/3 2/3 .0306 .032 1.9 |
|
ZrM2 1/3 2/3 .2875 .163 2.8 |
|
NbM2 1/3 2/3 .2875 .068 2.8 |
|
TiM2 1/3 2/3 .2875 .068 2.8 |
|
Zr 1/3 2/3 .2271 .15 2.2 |
|
Si7 1/3 2/3 .0859 .30 1.7 |
|
Nal .5324 .4676 -.003 .30 9.3 |
|
Na2a .5681 .4319 .1730 .70 1.3 |
|
Na2b .5450 .4550 .1789 .30 2.6 |
|
Na3 .1948 .0974 .2874 .65 2.5 |
|
K3 .1948 .0974 .2874 .10 2.5 |
|
Sr3 .1948 .0974 .2874 .05 2.5 |
|
Na .1110 .2220 .1528 .495 2.2 |
|
H3O .1110 .2220 .1528 .165 2.2 |
|
Na2 .4648 .2324 .0484 .615 1.4 |
|
H3O2 .4648 .2324 .0484 .205 1.4 |
|
H3O3 .0808 .1616 .1663 .34 3 |
|
H3O4 .492 .246 .035 .18 1.2 |
|
H3O5 .134 .067 .279 .20 1.9 |
|
OH1 1/3 2/3 .137 .30 7 |
|
OH2 .391 .609 .159 .22 4 |
|
OH3 .259 .518 .3307 .70 6.5 |
|
OH4 .420 .580 -.0009 .70 7.1 |
|
Cl 1/3 2/3 .150 .26 5.3 |
|
Watla .0 .0 .2250 .7 1.5 |
|
Watlb .0 .0 .199 .3 1.4 |
|
Wat2 2/3 1/3 .0999 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
|
|   |
|
Raslakite |
| |
Ekimenkova I A, Rastsvetaeva R K, Chukanov N V |
|   |
Doklady Chemistry 374 (2000) 195-198 |
|
Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3 |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012506 |
|
14.229 14.229 30.019 90 90 120 R3 |
|
atom x y z occ Biso |
|
Zr .3334 .1667 .1666 1.65 |
|
Si1 .1396 .0662 .0819 1.53 |
|
Si2 .5262 .2597 .2520 1.64 |
|
Si3 .4585 .5420 .2582 1.36 |
|
Si4 .2084 .4168 .0756 1.64 |
|
Si5a .2712 .3258 .2371 1.29 |
|
Si5b .0575 .3279 .2369 1.15 |
|
Si6a .9914 .6030 .0968 1.24 |
|
Si6b .9936 .3913 .0969 1.08 |
|
Ola .0617 .1225 .0782 2.4 |
|
O1b .2236 .1048 .0412 3.1 |
|
O2 .1886 .0891 .1320 3.0 |
|
O3a .2635 .2305 .2074 2.3 |
|
O3b .2587 .2969 .2895 1.9 |
|
O4a .1789 .3519 .2195 1.6 |
|
O4b .3904 .4316 .2263 2.2 |
|
O5 .0249 .5106 .3054 1.9 |
|
O6a .2139 .6074 .2529 .5 2.6 |
|
O6b .396 .611 .2725 .5 4.1 |
|
O7a .0530 .4369 .2269 2.7 |
|
O7b .0437 .2992 .2894 1.9 |
|
O8 .1771 .3582 .0297 2.7 |
|
O9 .2717 .5434 .0724 4.2 |
|
O10a .1064 .3899 .1066 2.2 |
|
Ol0b .2772 .3777 .1075 2.0 |
|
O11a .4378 .2132 .2897 3.0 |
|
Ollb .4750 .2337 .2039 2.6 |
|
O12 .6050 .2100 .2563 2.0 |
|
O13 .2600 .0277 .2067 2.4 |
|
O14 .6256 .0352 .0449 2.1 |
|
O15a .4054 .2997 .1266 2.3 |
|
O15b .0207 .5137 .1132 2.2 |
|
O16 .6218 .5885 .0451 1.9 |
|
O17 .4088 .1039 .1269 2.2 |
|
FeMla .0005 .2642 .0001 .733 1.73 |
|
CaMla .0005 .2642 .0001 .167 1.73 |
|
MnMla .0005 .2642 .0001 .1 1.73 |
|
CaM1b .2596 .2601 .0000 .9 1.61 |
|
CeM1b .2596 .2601 .0000 .1 1.61 |
|
ZrM2.4 .5021 .0065 -.0004 .267 1.79 |
|
HfM2.4 .5021 .0065 -.0004 .033 1.79 |
|
MnM2.5a .1496 .3025 .3365 .20 1.07 |
|
NaM2.5b .5229 .0515 -.0042 .50 2.04 |
|
NbM3 1/3 2/3 .2942 .20 2.56 |
|
TiM3 1/3 2/3 .2942 .15 2.56 |
|
MgM3 1/3 2/3 .2942 .15 2.56 |
|
SiM3a 1/3 2/3 .2477 .40 2.1 |
|
AlM3a 1/3 2/3 .2477 .10 2.1 |
|
Si7 1/3 2/3 .0877 .50 1.8 |
|
Si7a 1/3 2/3 .0505 .40 2.0 |
|
Al7a 1/3 2/3 .0505 .10 2.0 |
|
Na1a .2562 .5244 .1855 .45 4.4 |
|
Na1b .172 .566 .1605 .35 5.3 |
|
Na1c .378 .552 .1629 .20 6.0 |
|
Na2a .5536 .4425 .1777 .38 2.49 |
|
Ca2a .5536 .4425 .1777 .07 2.49 |
|
Na2b .5849 .4159 .1633 .518 3.3 |
|
Ca2b .5849 .4159 .1633 .032 3.3 |
|
Na3 .4595 .2304 .0495 .933 2.6 |
|
Ca3 .4595 .2304 .0495 .067 2.6 |
|
Na4a .2216 .1098 .2820 .40 2.62 |
|
Sr4a .2216 .1098 .2820 .05 2.62 |
|
K4a .2216 .1098 .2820 .05 2.62 |
|
Na4b .1940 .0980 .2893 .466 1.93 |
|
Sr4b .1940 .0980 .2893 .017 1.93 |
|
K4b .1940 .0980 .2893 .017 1.93 |
|
Na5 .1097 .2162 .1535 4.3 |
|
O18a .197 .591 .0063 .15 1.5 |
|
OH18a .197 .591 .0063 .05 1.5 |
|
O18b 0 0 .333 .38 6.4 |
|
OH18b 0 0 .333 .12 6.4 |
|
O19 .6234 .3959 -.0025 .38 4.8 |
|
OH19 .6234 .3959 -.0025 .12 4.8 |
|
O20a 1/3 2/3 .1402 .38 1.2 |
|
OH20a 1/3 2/3 .1402 .12 1.2 |
|
O20b 1/3 2/3 .1968 .38 4.3 |
|
OH20b 1/3 2/3 .1968 .12 4.3 |
|
Cl1a 0 0 .2343 .50 3.2 |
|
Cl1b 0 0 .2592 .30 3.2 |
|
Cl1c 0 0 .2869 .20 4.8 |
|
Wat2a 2/3 1/3 .0848 .75 3.1 |
|
Wat2b 2/3 1/3 .1054 .25 5.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Greifensteinite |
| |
Rastsvetaeva R K, Gurbanova O A, Chukanov N V |
|   |
Doklady Chemistry 383 (2002) 78-81 |
|
Crystal structure of greifensteinite |
|
Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O |
|
Locality: Greifenstein, Saxony, Germany |
|
_database_code_amcsd 0012508 |
|
15.903 11.885 6.677 90 94.68 90 C2/c |
|
atom x y z occ Biso |
|
Ca 0 .2580 .25 1.634 |
|
Be .3323 .1746 .299 1.49 |
|
Fe .1708 .1619 .9966 .8 1.20 |
|
Al .1708 .1619 .9966 .1 1.20 |
|
Mg .1708 .1619 .9966 .1 1.20 |
|
Mn 0 0 0 .35 1.33 |
|
P1 .1867 .1182 .4783 1.03 |
|
P2 0 .2740 .75 1.26 |
|
O1 .3580 .4955 .4936 1.50 |
|
O2 .2804 .0978 .4465 1.52 |
|
O3 .1432 .1831 .3010 1.65 |
|
O4 .3194 .3132 .3272 1.46 |
|
O5 .4617 .2993 .0741 1.97 |
|
O6 .4327 .1492 .3333 1.98 |
|
OH .3007 .1623 .0647 1.54 |
|
Ow1 .0939 .4190 .2255 2.09 |
|
Wat2 0 .0409 .25 .65 3.98 |
|
OH2 0 .0409 .25 .35 3.98 |
|
H1 .079 .494 .1939 4 |
|
H2 .135 .411 .315 5 |
|
|
| 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
|
|   |
|
Gunterblassite |
| |
Rastvetaeva R K, Aksenov S M, Chukanov N V |
|   |
Doklady Chemistry 442 (2012) 57-62 |
|
Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer |
|
Locality: Rother Kopf mountain, Eifel volcanic field, Germany |
|
Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported |
|
_database_code_amcsd 0018694 |
|
6.538 6.975 37.26 90 90 90 Pnm2_1 |
|
atom x y z occ Biso |
|
K1 .072 0 .2279 .35 2.3 |
|
Ca1 .072 0 .2279 .25 2.3 |
|
K2 .101 0 .0469 .5 1.2 |
|
Ba2 .101 0 .0469 .3 1.2 |
|
K3 .229 .5 .4225 .35 3.2 |
|
Ca3 .229 .5 .4225 .25 3.2 |
|
Fe .246 .5 .8685 .5 2.5 |
|
Ca .246 .5 .8685 .2 2.5 |
|
Mg .246 .5 .8685 .15 2.5 |
|
Na .246 .5 .8685 .15 2.5 |
|
Si1 .384 0 .8211 1.6 |
|
Si2 .199 .218 .3163 1.7 |
|
Si3 .013 0 .7708 2.6 |
|
Si4 .429 0 .6388 1.1 |
|
Si5 .055 0 .6904 1.0 |
|
Si6 .207 .221 .1400 2.2 |
|
Si7 .028 0 .5774 1.2 |
|
Si8 .047 0 .4915 1.2 |
|
Si9 .210 .233 .9462 2.0 |
|
Si10 .437 0 .4463 1.2 |
|
O1 .453 .316 .142 1.7 |
|
O2 .240 0 .6060 5.4 |
|
O3 .090 .323 .1777 1.9 |
|
O4 .055 0 .7294 3.1 |
|
O5 .052 .310 .1050 2.2 |
|
O6 .225 0 .144 1.7 |
|
O7 .438 .311 .3228 2.7 |
|
O8 .260 0 .7830 1.6 |
|
O9 .128 .316 .9838 3.1 |
|
O10 .098 .289 .2823 1.3 |
|
O11 .071 0 .5337 3.8 |
|
O12 .263 0 .6696 4.2 |
|
O13 .255 0 .4762 1.7 |
|
O14 .181 0 .3231 3.0 |
|
O15 .073 .294 -.0904 4.3 |
|
O16 .450 .302 -.0593 1.7 |
|
O17 .245 0 -.0466 1.4 |
|
OH1 .251 0 .8570 2.0 |
|
OH2 .058 .258 .3550 3.4 |
|
OH3 .247 0 .4126 3.7 |
|
Wat1 .245 .5 .6207 .8 1.6 |
|
Wat2 .299 .5 .798 .8 1.7 |
|
Wat3 .21 .5 .495 .8 1.4 |
|
Wat4 .351 .5 .697 .6 4.2 |
|
Wat5 .448 .259 .0450 .8 2.1 |
|
Wat6 .446 .261 .2281 .6 2.8 |
|
Wat7 .443 .198 .3779 .6 5.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Alloriite |
| |
Rastsvetaeva R K, Ivanova A G, Chukanov N V, Verin I A |
|   |
Doklady Earth Sciences 415 (2007) 815-819 |
|
Crystal structure of alloriite |
|
Locality: Sabatino volcanic complex, Latium, Italy |
|
_database_code_amcsd 0012512 |
|
12.892 12.892 21.340 90 90 120 P31c |
|
atom x y z occ Biso |
|
Si1 .2506 -.0002 .4950 1.69 |
|
Si2 .9198 .5832 .3693 1.62 |
|
Si3 .0026 .2539 .2461 1.75 |
|
Si4 .9200 .5835 .1222 1.63 |
|
Al1 .7451 .9998 .9951 1.76 |
|
Al2 .0832 .4067 .8693 1.78 |
|
Al3 .0038 .7464 .7461 1.61 |
|
Al4 .0832 .4067 .6222 1.83 |
|
O1 .6587 .0028 .1846 2.9 |
|
O2 .0012 .3295 .1858 3.2 |
|
O3 .9972 .6576 .3106 3.1 |
|
O4 .0012 .3266 .3091 3.4 |
|
O5 .2247 .1059 .2468 2.8 |
|
O6 .6690 .0162 .4313 3.3 |
|
O7 .3344 .0127 .4364 3.4 |
|
O8 .6673 .0178 .0571 2.9 |
|
O9 .3384 .0145 .0525 3.1 |
|
O10 .1147 .2354 .0076 3.8 |
|
O11 .1146 .2371 .4873 4.7 |
|
O12 .1227 .2482 .2476 4.0 |
|
O13 .5426 .4614 .1227 4.2 |
|
O14 .4593 .5422 .8717 3.7 |
|
O15 .4502 .2318 .1293 2.7 |
|
O16 .4470 .2310 .3652 3.4 |
|
Ca1a .6667 .3334 .1400 .80 3.31 |
|
Ca1b .6667 .3334 .1048 .20 2.2 |
|
Ca2a .6667 .3334 .3581 .75 4.21 |
|
Ca2b .6667 .3334 .3276 .25 4.0 |
|
Ca3 0 0 .2059 .23 4.69 |
|
K .2174 .4341 .3732 .72 2.89 |
|
Na1 .2234 .4452 .3550 .28 1.0 |
|
Na2 .2190 .4376 .1246 2.5 |
|
Na3a .4958 .5132 .2463 .81 2.21 |
|
Na3b .478 .529 .2574 .19 2.8 |
|
Na4a -.0008 .4966 .4962 .80 2.44 |
|
Na4b .550 .487 -.008 .20 6.7 |
|
Na5 0 0 .2530 .77 4.7 |
|
Na6a 0 0 .4993 .75 4.4 |
|
Na6b 0 0 .443 .25 4.2 |
|
S1a .3334 .6667 .4675 .80 3.80 |
|
S1b .3334 .6667 .4847 .20 1.6 |
|
O1a.1 .214 .609 .4428 .68 3.7 |
|
O1b.1 .207 .603 .474 .32 3.7 |
|
O1.2 .6667 .3334 .046 .80 3.9 |
|
S2 .3334 .6667 .2473 .70 2.95 |
|
O2 .2132 .600 .2234 .70 3.5 |
|
S3a .3334 .6667 .0207 .75 2.97 |
|
O3a.1 .2070 .6032 .0405 4.75 |
|
O3a.2 .6667 .3334 .4493 .61 5.1 |
|
S3b .3334 .6667 .066 .25 2.5 |
|
O3b .3334 .6667 .136 .25 4.2 |
|
C .3334 .6667 .304 .31 3.9 |
|
Oc .236 .616 .297 .30 5.3 |
|
Wat1a 0 0 .3610 .75 3.5 |
|
Wat1b 0 0 .401 .25 4.3 |
|
Wat2a 0 0 .1217 .78 4.6 |
|
Wat2b .067 .046 .114 .22 3.6 |
|
Wat3 .611 .209 .240 .23 3.5 |
|
Cl .6667 .3334 .240 .17 4.96 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fukalite dimorph |
| |
Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V |
|   |
Doklady Earth Sciences 405A (2005) 1347-1351 |
|
Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the |
|
Gumeshevsk Deposit the Urals |
|
Locality: Gumeshevsk Deposit the Urals |
|
_database_code_amcsd 0012514 |
|
3.786 10.916 23.379 90 90 90 P2_12_12_1 |
|
atom x y z occ Biso |
|
Ca1 .2519 .3742 .4562 .55 |
|
Ca2 .2566 .0553 .6907 .74 |
|
Ca3 .2493 .3082 .1932 .79 |
|
Ca4 .2471 .1241 .9545 .58 |
|
Si1 .3275 .3734 .7216 .49 .51 |
|
Si2 .1787 .3782 .5875 .52 .12 |
|
Si3 .1533 .3756 .7137 .49 .54 |
|
Si4 .3384 .3712 .5839 .48 1.3 |
|
C .281 .1231 .0813 .29 |
|
O1 .262 .2550 .5515 .6 |
|
O2 .252 .5084 .0462 .6 |
|
O3 .248 .2284 .0523 .8 |
|
O4 .235 .0242 .0506 .9 |
|
O5 .211 .1281 .1351 .8 |
|
O6 .188 .4993 .2427 1 1.5 |
|
O7 .237 .2461 .7413 3.2 |
|
O8 .359 .3768 .6483 1.1 |
|
O9 .238 .125 .2582 .53 .9 |
|
O10 .263 .123 .3980 .46 .9 |
|
Oh1 .259 .1256 .8565 .9 |
|
Oh2 .242 .3782 .3571 1 .8 |
|
Hl .255 .058 .849 3.0 |
|
H2 .243 .314 .342 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
|
|   |
|
Hydroxylborite |
| |
Rudnev V V, Chukanov N V, Nechelyustov G N, Yamnova N A |
|   |
Geology of Ore Deposits 49 (2007) 710-719 |
|
Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and |
|
isomorphous series fluoborite-hydroxylborite series |
|
Locality: the Titovsky deposit, Sakha-Yakutia Republic, Russia |
|
_database_code_amcsd 0012664 |
|
8.924 8.924 3.116 90 90 120 P6_3/m |
|
atom x y z Uiso |
|
Mg .3721 .3395 .25 .0100 |
|
B 1/3 2/3 .25 .013 |
|
O1 .7924 .7053 .25 .0117 |
|
O2 .4462 .6020 .25 .0105 |
|
H .90 .81 .25 .05 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chesnokovite |
 |
Pekova I V, Chukanov N V, Zadov A E, Zubkova N V, Pushcharovsky D Yu |
|   |
Geology of Ore Deposits 49 (2007) 727-738 |
|
Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from |
|
the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure |
|
of a new mineral species |
|
Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia |
|
_database_code_amcsd 0012665 |
|
11.7119 19.973 11.5652 90 90 90 Ibca |
|
atom x y z Uiso |
|
Na .1244 .1817 .4143 .038 |
|
Si .3770 0 .25 .028 |
|
O1 .2898 .0540 .1696 .039 |
|
O2 .4469 .0541 .3319 .030 |
|
O3 .119 .0379 .4339 .033 |
|
O4 .1122 .1649 .2061 .025 |
|
O5 .4140 .1755 .0536 .044 |
|
O6 .3215 .1905 .3848 .047 |
|
H1 .27 .016 .11 .1 |
|
H2 .09 .035 .49 .1 |
|
H3 .04 .013 .39 .1 |
|
H4 .05 .138 .209 .1 |
|
H5 .17 .134 .205 .1 |
|
H6 .37 .133 .093 .1 |
|
H7 .40 .167 -.027 .1 |
|
H8 .38 .159 .365 .1 |
|
H9 .35 .238 .339 .1 |
|
|
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|
|   |
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Calcioolivine |
| |
Zadov A E, Gazeev V M, Pertsev N N, Gurbanov A G, |
|
Gobechiya E R, Yamnova N A, Chukanov N V |
|   |
Geology of Ore Deposits 51 (2009) 741-749 |
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Calcioolivine, gamma-Ca2SiO4, an old and new mineral species |
|
Locality: Mt. Lakargi, Upper Chegem Plateau, northern Caucasus, |
|
Kabarda-Balkaria Republic, Russia |
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_database_code_amcsd 0018297 |
|
5.074 11.211 6.753 90 90 90 Pbnm |
|
atom x y z Biso |
|
Ca1 0 0 0 3.9 |
|
Ca2 .9890 .2796 .25 3.8 |
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Si .4297 .0991 .25 3.4 |
|
O1 .741 .0902 .25 3.6 |
|
O2 .295 .9619 .25 1.7 |
|
O3 .300 .1604 .0596 2.6 |
|
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|
|   |
|
Bendadaite |
| |
Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V, |
|
Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L, |
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Mockel S, Giester G, Pushcharovsky D Y |
| |
Mineralogical Magazine 74 (2010) 469-486 |
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Bendadaite, a new iron arsenate mineral of the arthurite group |
|
Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil |
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_database_code_amcsd 0015896 |
|
10.200 9.718 5.5432 90 94.05 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171 |
|
Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014 |
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O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010 |
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O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016 |
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O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004 |
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Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026 |
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Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015 |
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Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145 |
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H .586 .176 .999 .039 |
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H11 .208 .915 .262 .057 |
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H12 .128 .941 .456 .056 |
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H21 .118 .211 .226 .061 |
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H22 .992 .247 .181 .057 |
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|   |
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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 |
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Crystal structure of natrite, gamma-Na2CO3 |
|
Locality: Mt Koashva, Khibiny alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0014917 |
|
8.905 5.237 6.045 90 101.32 90 C2/m |
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atom x y z Biso |
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Na1 0 0 0 2.27 |
|
Na2 0 0 .5 2.46 |
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Na3 .17047 .5 .7478 3.22 |
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C .1645 .5 .2497 1.85 |
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O1 .1023 .2944 .2859 4.58 |
|
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
|
|   |
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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 |
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Tsepinite-Ca,(Ca,K,Na,[])2(Ti,Nb)2(Si4O12)(OH,O)2*4H2O, a new mineral |
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of the labuntsovite group from the Khibiny alkaline massif, Kola peninsula |
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- novel disordered sites in the vuoriyarvite-type structure |
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Locality: Lovchorrite mine, Hackman Valley, Yukspor Mountian, Khibiny massif, |
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Kola Peninsula, Russia |
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_database_code_amcsd 0014929 |
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14.484 14.191 7.907 90 117.26 90 C2/m |
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atom x y z occ Uiso |
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NaA .4134 .7401 -.000 .175 .049 |
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KA .4134 .7401 -.000 .1388 .049 |
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WatA .4134 .7401 -.000 .0437 .049 |
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BaA' .5 .657 0 .0875 .23 |
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WatA' .5 .657 0 .9125 .23 |
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CaB .432 0 .700 .13 .15 |
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SrB .432 0 .700 .10 .15 |
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WatB .432 0 .700 .65 .15 |
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BaB'1 .5 .829 0 .0158 .12 |
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WatB'1 .5 .829 0 .3175 .12 |
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BaB'2 .462 .907 .851 .0079 .02 |
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WatB'2 .462 .907 .851 .1587 .02 |
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BaB'3 .462 .849 .847 .0079 .10 |
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WatB'3 .462 .849 .847 .1587 .10 |
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SrC .086 0 .330 .07 .10 |
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WatC .086 0 .330 .93 .10 |
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CaC' .251 0 .501 .21 .015 |
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CaD 0 0 .5 .425 .024 |
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MnD 0 0 .5 .025 .024 |
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FeD 0 0 .5 .005 .024 |
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ZnD 0 0 .5 .015 .024 |
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TiM1 0 .7583 .5 .8 .027 |
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NbM1 0 .7583 .5 .2 .027 |
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TiM2 .750 .750 .5 .8 .033 |
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NbM2 .750 .750 .5 .2 .033 |
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Si1 .2004 .1114 .7911 .0174 |
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Si2 .6887 .8894 .7648 .0171 |
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O1 .9001 .7605 .602 .39 .023 |
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OH1 .9001 .7605 .602 .61 .023 |
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O2 .9194 .8626 .326 .040 |
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O3 .2482 .8605 .342 .037 |
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O4 .2694 .8334 .709 .037 |
|
O5 .4190 .8331 .308 .044 |
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O6 .340 0 .254 .049 |
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O7 .2418 .8689 .014 .037 |
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O8 .215 0 .762 .045 |
|
|
| 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, |
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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 |
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arfvedsonite series from agpaitic pegmatites - Mineral data, structure |
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refinement and disorder in the A site |
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Locality: Ilimaussaq, Greenland |
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_database_code_amcsd 0014932 |
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10.002 18.054 5.319 90 103.90 90 C2/m |
|
atom x y z Uiso occ |
|
KA'm .013 .5 .039 .038 .342 |
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NaA"m .067 .5 .121 .021 .054 |
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NaA2 0 .472 0 .034 .054 |
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Fe2+M1 0 .09102 .5 .00873 .70 |
|
Fe3+M1 0 .09102 .5 .00873 .20 |
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MnM1 0 .09102 .5 .00873 .10 |
|
Fe2+M2 0 .18388 0 .00721 .58 |
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Fe3+M2 0 .18388 0 .00721 .39 |
|
Ti4+M2 0 .18388 0 .00721 .03 |
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Fe2+M3 0 0 0 .00782 .63 |
|
LiM3 0 0 0 .00782 .28 |
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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 |
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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 |
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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 |
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Na1 .34232 .12237 .34597 .02689 |
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Na2 .44824 .13180 .82325 .0289 |
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Na3 .55939 .12869 .28837 .0324 |
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Na4 .22742 .13972 .86258 .02652 |
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Na5 .78914 .12064 .25418 .02935 |
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Na6 .67336 .13710 .76626 .0324 |
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Na7 .11812 .11694 .40322 .0354 |
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Na8 .01282 .05626 .11570 .0446 |
|
Sil .297439 .17493 .54092 .01369 |
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Si2 .71951 .17838 .44664 .01423 |
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Si3 .400360 .17567 .01732 .01369 |
|
Si4 .61727 .18088 .97530 .01496 |
|
Si5 .50792 .18194 .49761 .01547 |
|
Si6 .19635 .18284 .06553 .01437 |
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Si7 .81558 .17287 .92411 .01483 |
|
Si8 .14334 .11673 .64686 .01471 |
|
Si9 .88173 .11110 .46350 .01564 |
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O14 .74530 .11403 .53314 .0216 |
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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
|
|   |
|
Manganoeudialyte |
| |
Nomura S F, Atencio D, Chukanov N V, Rastsvetaeva R K, Coutinho J M V, Karipidis T K |
|   |
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 139 (2010) 35-47 |
|
Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil |
|
Locality: Pocos de Caldas massif, Minas Gerais, Brazil |
|
_database_code_amcsd 0017801 |
|
14.2418 14.2418 30.1143 90 90 120 R3m |
|
atom x y z occ Biso |
|
Zr .3325 .1663 .1668 1.05 |
|
CaM1 -.0001 .2601 0 .65 |
|
Si1 .5260 .2630 .2514 .47 |
|
Si2 -.0056 .6036 .0976 .59 |
|
Si3 .2081 .4162 .0770 .83 |
|
Si4 .0827 .5413 .2585 1.07 |
|
Si5 .0570 .3267 .2369 .78 |
|
Si6 .1404 .0702 .0826 .77 |
|
O1 .4790 .2395 .2006 1.4 |
|
O2 .2600 .0334 .2085 1.3 |
|
O3 .4061 .3047 .1275 2.2 |
|
O4 .6052 .3948 .2562 1.3 |
|
O5 .4352 .2171 .2884 .8 |
|
O6 .4114 .0338 .0453 1.5 |
|
O7 .1011 .3795 .1076 1.4 |
|
O8 .0207 .5103 .1150 1.0 |
|
O9 .2740 .5480 .0685 4.5 |
|
O10 .1809 .3619 .0287 .8 |
|
O11 .0282 .5141 .3052 1.5 |
|
O12 .1765 .3539 .2184 1.7 |
|
O13 .0443 .3001 .2885 .7 |
|
O14 .3871 .4321 .2271 2.2 |
|
O15 .3952 .6048 .2526 2.2 |
|
O16 .0618 .1237 .0782 1.2 |
|
O17 .1891 .0946 .1312 1.6 |
|
O18 .2260 .1130 .0433 1.4 |
|
MnM2a .4928 .5070 .0017 .52 1.00 |
|
FeM2b .5200 .4800 -.0023 .40 .67 |
|
NaM2c .134 .268 .3340 .08 .7 |
|
SiM3a 1/3 2/3 .2454 .38 1.1 |
|
AlM3b 1/3 2/3 .2839 .25 3.4 |
|
NbM3c 1/3 2/3 .2966 .29 .94 |
|
ZrM3c 1/3 2/3 .2966 .08 .94 |
|
TiM4a 1/3 2/3 .0429 .19 1.5 |
|
SiM4b 1/3 2/3 .0518 .37 2.7 |
|
SiM4c 1/3 2/3 .0900 .44 .4 |
|
NaN1a .1128 .2256 .1523 .79 2.3 |
|
NaN1b .0925 .185 .1620 .21 2.4 |
|
NaN2a .5839 .4163 .1638 .40 3.5 |
|
NaN2b .5585 .4415 .1785 .60 1.9 |
|
NaN3a .2358 .4716 -.0443 .23 1.0 |
|
KN3a .2358 .4716 -.0443 .13 1.0 |
|
NaN3b .2220 .1106 .2837 .64 1.9 |
|
NaN4a .4292 .2150 .0569 .36 1.2 |
|
SrN4b .4653 .2327 .0494 .27 .95 |
|
CeN4b .4653 .2327 .0494 .02 .95 |
|
NaN4c .485 .2426 .0450 .35 2.0 |
|
H3O+N5a .2512 .502 .1733 .23 4.7 |
|
NaN5b .1897 .5949 .1460 .40 2.8 |
|
C11 2/3 1/3 .1008 .48 2.1 |
|
C12 0 0 .2401 .40 4.7 |
|
F 2/3 1/3 .036 .13 1.82 |
|
OH1 1/3 2/3 .1426 .44 1.1 |
|
OH2 1/3 2/3 .196 .38 3.6 |
|
OH3 1/3 2/3 -.0045 .37 9.0 |
|
OH4 1/3 2/3 .341 .25 3.6 |
|
Wat1 .240 .620 .0009 .40 6.9 |
|
Wat1 .240 .620 .0009 .20 6.9 |
|
Wat2 .6020 .2040 -.0039 .52 2.20 |
|
Wat2 .6020 .2040 -.0039 .40 2.20 |
|
Wat3 2/3 1/3 .123 .36 8.5 |
|
Wat4 0 0 .252 .43 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
|
|   |
|
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
|
|   |
|
Mejillonesite |
| |
Atencio D, Chukanov N V, Nestola F, Witzke T, Coutinho J M V, |
|
Zadov A E, Contreira R R, Farber G |
| |
American Mineralogist 97 (2012) 19-25 |
|
Mejillonesite, a new acid sodium, magnesium phosphate mineral, |
|
from Mejillones, Antofagasta, Chile |
|
Locality: Mejillones, Antofagasta, Chile |
|
_database_code_amcsd 0018764 |
|
16.295 13.009 8.434 90 90 90 Pbca |
|
atom x y z Uiso |
|
Na .0322 .8839 .9341 .0218 |
|
Mg1 .2434 .8832 .9481 .0128 |
|
Mg2 .2437 .8881 .3390 .0127 |
|
P1 .1382 .0534 .1427 .0097 |
|
P2 .1432 .7876 .6463 .0100 |
|
O11 .1933 .0297 .2903 .0154 |
|
O12 .1180 .1703 .1361 .0165 |
|
O13 .1870 .0243 .9902 .0180 |
|
O14 .0585 .9910 .1507 .0225 |
|
O21 .1930 .8130 .1433 .0180 |
|
O22 .1599 .6425 .0080 .0222 |
|
O23 .1502 .8420 .8054 .0206 |
|
OH24 .0475 .7451 .1263 .0238 |
|
Ow .9897 .8748 .3494 .0327 |
|
OZ1 .1866 .2492 .8895 .0200 |
|
OZ2 .1701 .4291 .1347 .0221 |
|
H1 .173 .486 .821 .053 |
|
H2 .160 .249 .179 .044 |
|
H3 .135 .448 .068 .053 |
|
H4 .005 .604 .964 .024 |
|
H5 .142 .212 .959 .052 |
|
H6 .000 .820 .319 .055 |
|
|
| 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 |
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Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
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A review and new data. I. Chemical and structural variations |
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Note: Sample# mmf28962 |
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Locality: Ilmeny Mountains, southern Urals, Russia |
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_database_code_amcsd 0018874 |
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12.617 12.617 5.129 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32795 .41047 .75 .00926 |
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Al2 .07506 .41250 .75085 .97 .00954 |
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Si2 .07506 .41250 .75085 .03 .00954 |
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O1 .20308 .40495 .6581 .0166 |
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O2 .11353 .56358 .7273 .0211 |
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O3 .02942 .34970 .0598 .0174 |
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O4 .31396 .35719 .0433 .0168 |
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Na 2/3 1/3 .124 .705 .0343 |
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Na' 2/3 1/3 .187 .18 .026 |
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Wat .6849 .3068 .6857 .333 .066 |
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NaA .12273 .24770 .2913 .64 .0253 |
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CaA .12273 .24770 .2913 .16 .0253 |
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NaA' .1320 .2699 .2998 .15 .038 |
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CaA' .1320 .2699 .2998 .04 .038 |
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C1 0 0 .715 .211 .021 |
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OC1 .0575 .1202 .715 .211 .022 |
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C2 0 0 .944 .185 .011 |
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OC2 .0575 .1165 .944 .185 .026 |
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C3 0 0 .626 .225 .024 |
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OC3 .0572 .1172 .626 .225 .024 |
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C4 0 0 .844 .150 .006 |
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OC4 .0587 .1192 .844 .150 .025 |
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Cancrinite |
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
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Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
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A review and new data. I. Chemical and structural variations |
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Note: Sample# mmf62633/2 |
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Locality: Dakhuunur |
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_database_code_amcsd 0018875 |
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12.613 12.613 5.124 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32770 .41029 .75 .00911 |
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Al2 .07504 .41252 .7511 .97 .00991 |
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Si2 .07504 .41252 .7511 .03 .00991 |
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O1 .20285 .40426 .6582 .0156 |
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O2 .1127 .56339 .7281 .0204 |
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O3 .02932 .3487 .0608 .0162 |
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O4 .31292 .3565 .0430 .0161 |
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Na 2/3 1/3 .1380 .815 .0382 |
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Wat .691 .3741 .679 .333 .061 |
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NaA .12252 .24759 .2959 .64 .0222 |
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CaA .12252 .24759 .2959 .25 .0222 |
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NaA' .1424 .2866 .288 .06 .0222 |
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CaA' .1424 .2866 .288 .02 .0222 |
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C1 0 0 .6751 .432 .044 |
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OC1 .0578 .1186 .6751 .432 .046 |
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C2 0 0 .912 .373 .038 |
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OC2 .0590 .1185 .912 .373 .044 |
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Cancrinite |
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V, |
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Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E |
| |
The Canadian Mineralogist 49 (2012) 1129-1150 |
|
Crystal chemistry of cancrinite-group minerals with an AB-type framework: |
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A review and new data. I. Chemical and structural variations |
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Note: Sample# ggm44331 |
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Locality: Vishnevye Mountains |
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_database_code_amcsd 0018876 |
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12.627 12.627 5.136 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .32815 .41088 .75 .01027 |
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Al2 .07515 .41252 .7510 .94 .01077 |
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Si2 .07515 .41252 .7510 .06 .01077 |
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O1 .20301 .40490 .6605 .0172 |
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O2 .11441 .56360 .7266 .0219 |
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O3 .02867 .34943 .0600 .0168 |
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O4 .31430 .35775 .0427 .0177 |
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Na 2/3 1/3 .1345 .0374 |
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Wat .686 .303 .6892 .333 .064 |
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NaA .1223 .2452 .2867 .44 .0241 |
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CaA .1223 .2452 .2867 .10 .0241 |
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NaA' .1269 .2601 .301 .39 .040 |
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CaA' .1269 .2601 .301 .07 .040 |
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C1 0 0 .692 .19 .016 |
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OC1 .0574 .1194 .692 .19 .010 |
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C2 0 0 .935 .216 .012 |
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OC2 .0603 .1155 .935 .216 .034 |
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C3 0 0 .611 .21 .023 |
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OC3 .0541 .1138 .611 .21 .034 |
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C4 0 0 .810 .234 .018 |
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OC4 .060 .123 .810 .234 .071 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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Hydroxylchondrodite |
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Pekov I V, Gerasimova E I, Chukanov N V, Kabalov Y K, Zubkova N V, |
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Zadov A E, Yapaskurt V O, Gekimyants V M, Pushcharovskii D Y |
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Doklady Akademii Nauk 436 (2011) 526-532 |
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Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group |
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and its crystal structure |
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Locality: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia |
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_database_code_amcsd 0018887 |
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7.880 4.726 10.290 90 109.04 90 P2_1/c |
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atom x y z occ Biso |
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Mg1 .5 .5 0 1.4 |
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Mg2 .3073 .016 .1753 1.0 |
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Mg3 .0780 .498 .8915 .85 .8 |
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Ti3 .0780 .498 .8915 .15 .8 |
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Si .7029 .0800 .1429 1.2 |
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O1 .294 .777 .003 1.0 |
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O2 .119 .712 .240 1.0 |
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O3 .530 .226 .163 1.2 |
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O4 .300 .262 .856 .8 |
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OH5 .098 .256 .051 .66 .8 |
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F5 .098 .256 .051 .12 .8 |
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O5 .098 .256 .051 .22 .8 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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Fluorbritholite-(Y) |
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Pekov I V, Zubkova N V, Chukanov N V, Husdal T A, Zadov A E, Pushcharovsky D Y |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 188 (2011) 191-197 |
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Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group |
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Locality: Lagmannsvik, Hamaroy, Nordland, Norway |
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_database_code_amcsd 0018905 |
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9.4437 9.4437 6.8169 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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YMl 1/3 2/3 -.00130 .68 .0173 .0207 .0207 .0105 .0104 0 0 |
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CaMl 1/3 2/3 -.00130 .22 .0173 .0207 .0207 .0105 .0104 0 0 |
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CeMl 1/3 2/3 -.00130 .07 .0173 .0207 .0207 .0105 .0104 0 0 |
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LaMl 1/3 2/3 -.00130 .03 .0173 .0207 .0207 .0105 .0104 0 0 |
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YM2 .24761 .00642 .25 .20 .0167 .0182 .0155 .0125 .0054 0 0 |
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NdM2 .24761 .00642 .25 .11 .0167 .0182 .0155 .0125 .0054 0 0 |
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CeM2 .24761 .00642 .25 .07 .0167 .0182 .0155 .0125 .0054 0 0 |
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YbM2 .24761 .00642 .25 .06 .0167 .0182 .0155 .0125 .0054 0 0 |
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DyM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
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ErM2 .24761 .00642 .25 .05 .0167 .0182 .0155 .0125 .0054 0 0 |
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GdM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
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SmM2 .24761 .00642 .25 .04 .0167 .0182 .0155 .0125 .0054 0 0 |
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PrM2 .24761 .00642 .25 .02 .0167 .0182 .0155 .0125 .0054 0 0 |
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CaM2 .24761 .00642 .25 .36 .0167 .0182 .0155 .0125 .0054 0 0 |
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MnM2 .24761 .00642 .25 .01 .0167 .0182 .0155 .0125 .0054 0 0 |
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Si .3720 .4005 .25 .0111 .0111 .0140 .0100 .0076 0 0 |
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O1 .4700 .5975 .25 .0285 .015 .015 .050 .003 0 0 |
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O2 .4924 .3250 .25 .0253 .024 .044 .020 .027 0 0 |
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O3 .2530 .3418 .4365 .0438 .035 .091 .023 .044 .016 .030 |
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F 0 0 .25 .114 .047 .047 .25 .024 0 0 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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