|
Cafetite |
 |
Krivovichev S V, Yakovenchuk V N, Burns P C, Pakhomovsky Y A, Menshikov Y P |
 |
American Mineralogist 88 (2003) 424-429 |
|
Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula |
|
Locality: alkaline rocks in the Afrikanda massif, Kola peninsula, Russia. |
|
_database_code_amcsd 0002986 |
|
4.9436 12.109 15.911 90 98.937 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .8280 .69732 .45767 .0081 .0090 .0066 .0076 -.0003 -.0021 .0000 |
|
Ti2 .2259 .51318 .43865 .0094 .0102 .0088 .0083 -.0001 -.0016 .0005 |
|
Ti3 .9742 .91031 .57249 .0078 .0091 .0074 .0060 .0002 -.0018 .0007 |
|
Ti4 .5820 .11252 .54933 .0077 .0091 .0069 .0060 .0001 -.0018 -.0004 |
|
Ca1 .5198 .95070 .74009 .0149 .0171 .0154 .0107 -.0022 -.0026 -.0011 |
|
Ca2 .5906 .30997 .37755 .0098 .0103 .0085 .0097 .0002 -.0016 -.0011 |
|
O1 .9544 .4030 .4588 .0087 .0079 .0103 .0072 .0010 -.0011 -.0010 |
|
O2 .6707 .8122 .5478 .0090 .0071 .0091 .0100 -.0013 -.0015 -.0019 |
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O3 .8802 .1926 .5150 .0117 .0139 .0092 .0126 -.0016 .0033 -.0013 |
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O4 .2691 .0043 .5342 .0087 .0107 .0088 .0063 .0001 .0006 .0010 |
|
O5 .5430 .6009 .4870 .0107 .0102 .0117 .0089 -.0007 -.0025 -.0006 |
|
O6 .4351 .2114 .6174 .0100 .0116 .0102 .0068 .0010 -.0034 -.0010 |
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O7 .7844 .0199 .6331 .0101 .0099 .0120 .0071 .0007 -.0033 -.0007 |
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O8 .1721 .8480 .6616 .0114 .0156 .0104 .0070 .0011 -.0018 -.0001 |
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O9W .2450 .2208 .2645 .0154 .0150 .0220 .0073 .0019 -.0029 .0014 |
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O10W .2148 .1098 .7410 .0153 .0160 .0179 .0112 -.0030 -.0014 -.0001 |
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O11 .3218 .4661 .3440 .0144 .0190 .0129 .0105 .0076 .0008 -.0004 |
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O12 .9673 .6219 .3763 .0126 .0140 .0139 .0096 .0048 -.0008 .0011 |
|
H1 .069 .211 .282 .0430 |
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H2 .079 .083 .696 .0430 |
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H3 .167 .246 .209 .0430 |
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H4 .302 .162 .709 .0430 |
|
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Yuksporite |
|
Krivovichev S V, Yakovenchuk V N, Armbruster T, Dobelin N, Pattison P, Weber H-P, Depmeier W |
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American Mineralogist 89 (2004) 1561-1565 |
|
Porous titanosilicate nanorods in the structure of yuksporite, |
|
(Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, |
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resolved using synchrotron radiation |
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Sample: Kola peninsula, Russia |
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_database_code_amcsd 0003651 |
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7.126 24.913 17.075 90 101.89 90 P2_1/m |
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atom x y z occ Uiso |
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Ti1 .1754 .59949 .0992 .80 .008 |
|
Nb1 .1754 .59949 .0992 .20 .008 |
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Ti2 -.6751 .59968 .4004 .75 .020 |
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Nb2 -.6751 .59968 .4004 .25 .020 |
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Si1 -.1835 .6319 -.0579 .014 |
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Si2 -.8749 .6333 .5566 .020 |
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Si3 -.0272 .5414 .2471 .020 |
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Si4 -.6302 .6324 -.0584 .016 |
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Si5 .0419 .6874 -.1648 .022 |
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Si6 -.5417 .6891 .6629 .016 |
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Si7 .5259 .5442 .2476 .007 |
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Si8 -.3152 .6335 .5563 .015 |
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Si9 -.6591 .6881 .2500 .016 |
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Sr1 -.3119 .6337 .1271 .35 .012 |
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Ba1 -.3119 .6337 .1271 .15 .012 |
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Sr2 -.1863 .6332 .3752 .35 .008 |
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Ba2 -.1863 .6332 .3752 .15 .008 |
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K1 -.0560 .75 -.3617 .90 .021 |
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K2 -.4425 .75 -.1352 .95 .038 |
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Ba2 -.4425 .75 -.1352 .05 .038 |
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K3 .1902 .75 .0472 .60 .036 |
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K4 -.6430 .75 .4511 .90 .070 |
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K5 .0889 .75 .0476 .40 .031 |
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Na1A -.1885 .6082 .3830 .50 .005 |
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Na2A -.3189 .6097 .1054 .50 .030 |
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Na3A -.9222 .4848 .4125 .75 .013 |
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Ca3A -.9222 .4848 .4125 .25 .013 |
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Ca1B .2479 .5873 -.2500 .0146 |
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Ca2B .0767 .5177 -.0915 .70 .010 |
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Na2B .0767 .5177 -.0915 .30 .010 |
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Ca3B -.2491 .5851 -.2499 .015 |
|
Ca4B -.4213 .5163 -.0831 .50 .020 |
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Na4B -.4213 .5163 -.0831 .50 .020 |
|
Ca5B -.4237 .4826 .4110 .80 .030 |
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Na5B -.4237 .4826 .4110 .20 .030 |
|
MnM -.2532 .75 .2424 .15 .054 |
|
FeM -.2532 .75 .2424 .10 .054 |
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O1 .4922 .5223 -.2541 .032 |
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O2 -.6784 .4232 .3872 .012 |
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O3 .0050 .6483 -.2381 .034 |
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O4 -.5099 .6449 .7320 .010 |
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O5 -.0116 .4794 .2479 .026 |
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O6 -.6730 .5801 -.1130 .032 |
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O7 -.6206 .5344 .4595 .010 |
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O8 .1427 .5373 .0446 .010 |
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OH9 -.6310 .4644 -.0463 .010 |
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OH10 -.1454 .5359 .4488 .010 |
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O11 -.1951 .5804 -.1031 .010 |
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O12 -.8177 .5794 .6045 .010 |
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O13 -.7554 .75 .2536 .038 |
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O14 -.5332 .75 .6948 .034 |
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O15 -.6560 .6297 .0333 .018 |
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O16 -.4460 .6325 .4665 .016 |
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O17 -.1207 .6880 -.1051 .023 |
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O18 -.5105 .5697 .3312 .016 |
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O19 -.0716 .6329 .0291 .046 |
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O20 -.3925 .6514 -.0434 .042 |
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O21 -.8293 .6331 .4682 .011 |
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O22 -.1003 .6491 .5519 .010 |
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O23 -.7397 .6862 -.1083 .039 |
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O24 .0144 .5659 .1678 .024 |
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O25 -.3915 .6801 .6046 .010 |
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O26 .4059 .5637 .1673 .022 |
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O27 -.2740 .5594 .2416 .005 |
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O28 .0890 .5693 .3301 .025 |
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O29 .0303 .75 -.2011 .002 |
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O30 -.7571 .6820 .6058 .004 |
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O31 -.1671 .75 .4211 .010 |
|
O32 .2116 .6637 .1684 .027 |
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O33 -.7124 .6635 .3297 .024 |
|
O34 -.4310 .6918 .2469 .119 |
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Wat35 -.0783 .6870 .2321 .59 .100 |
|
Wat36 -.349 .75 .0981 .56 .100 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Sample A2 at T = -160 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003652 |
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14.2147 13.764 7.7574 90 116.653 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .25 .25 .5 1.068 .0323 .0052 .0103 .0063 .0160 .0034 |
|
Ti2 0 .22676 .5 1.083 .0107 .0044 .0124 0 -.0070 0 |
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Si1 .20835 .11018 .80434 .318 .0040 .0038 .0036 -.0001 .0011 .0001 |
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Si2 .32098 .11115 .25107 .346 .0051 .0040 .0042 -.0004 .0022 -.0003 |
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O1 .08243 .11596 .6755 .53 .0047 .0065 .0073 .0003 .0013 .0009 |
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O2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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OH2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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O3 .42044 .18104 .3019 .65 .0078 .0077 .0104 -.0035 .0053 -.0035 |
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O4 .26639 .12413 .3916 .52 .0080 .0073 .0060 .0011 .0045 .0004 |
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O5 .3662 0 .2712 .51 .0067 .0045 .0083 0 .0034 0 |
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O6 .23232 .12784 .0282 .59 .0090 .0088 .0034 .0010 .0018 .0000 |
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O7 .2476 0 .7867 .45 .0060 .0038 .0075 0 .0032 0 |
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O8 .27432 .18389 .7404 .46 .0057 .0060 .0054 -.0004 .0022 .0012 |
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Ba(C) .08723 0 .34250 .453 .453 .0056 .0066 .0047 0 .0021 0 |
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Wat(C) .1098 0 .349 .493 1.5 |
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Mn(D) 0 0 .5 .493 .51 .0055 .0034 .0073 0 .0002 0 |
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K(B) .42068 0 .70446 .854 1.22 .0106 .0269 .0085 0 .0041 0 |
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Na(B) .4294 .0509 .731 .076 .7 |
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Na(A) .4134 .2629 .0116 .473 1.32 .0119 .0113 .029 -.0011 .0108 -.0032 |
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Wat1 -.0254 .1129 -.0059 .5 1.67 .021 .033 .011 -.013 .009 -.004 |
|
Wat2 .4732 .1469 .0095 .5 1.35 .013 .023 .016 -.0019 .0069 .000 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Sample A2 at T = 22 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003653 |
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14.2446 13.7884 7.7798 90 116.709 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .25 .25 .5 1.291 .0359 .0075 .0135 .0061 .0181 .0033 |
|
Ti2 0 .22749 .5 1.289 .0131 .0064 .0152 0 -.0063 0 |
|
Si1 .20812 .11020 .80356 .493 .0060 .0060 .0057 -.0001 .0016 .0005 |
|
Si2 .32038 .11124 .24992 .526 .0076 .0060 .0065 -.0008 .0033 -.0007 |
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O1 .08239 .11665 .6755 .79 .0069 .0094 .0111 .0001 .0018 .0019 |
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O2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002 |
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OH2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002 |
|
O3 .42024 .18042 .3028 .97 .0118 .0114 .0155 -.0054 .0076 -.0051 |
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O4 .26511 .12486 .3884 .82 .0137 .0102 .0104 .0007 .0081 -.0003 |
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O5 .3647 0 .2705 .86 .0117 .0060 .0160 0 .0071 0 |
|
O6 .23313 .12821 .0271 .95 .0132 .0150 .0065 .0017 .0031 .0000 |
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O7 .2464 0 .7858 .80 .0102 .0059 .0152 0 .0063 0 |
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O8 .27392 .18286 .7384 .75 .0095 .0097 .0092 -.0014 .0041 .0015 |
|
Ba(C) .08730 0 .34257 .453 .949 .0118 .0134 .0109 0 .0051 0 |
|
Wat(C) .1094 0 .346 .493 2.7 |
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Mn(D) 0 0 .5 .493 .92 .0104 .0063 .0122 0 -.0004 0 |
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K(B) .42052 0 .7032 .854 2.66 .0234 .0580 .0187 0 .0086 0 |
|
Na(B) .4304 .0503 .729 .076 1.3 |
|
Na(A) .4122 .2627 .0098 .473 2.29 .0213 .0222 .046 -.0016 .0177 -.0047 |
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Wat1 -.0249 .1128 -.0047 .5 2.55 .031 .047 .022 -.014 .016 -.006 |
|
Wat2 .4733 .1475 .0101 .5 2.34 .023 .040 .029 -.002 .013 -.002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Sample B at T = 22 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003654 |
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14.237 13.768 7.767 90 116.83 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .25 .25 .5 1.08 .0301 .0058 .0116 .0054 .0153 .0027 |
|
Ti2 0 .22712 .5 1.113 .0115 .0046 .0137 0 -.0054 0 |
|
Si1 .20816 .10996 .80316 .478 .0063 .0050 .0062 -.0003 .0022 .0005 |
|
Si2 .31987 .11131 .24992 .509 .0075 .0052 .0069 -.0007 .0034 -.0007 |
|
O1 .08209 .11590 .6736 .80 .0072 .0091 .0114 .0003 .0018 .0026 |
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O2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
|
OH2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
|
O3 .4199 .18084 .3030 .93 .0122 .0102 .0149 -.0049 .0077 -.0045 |
|
O4 .2652 .12522 .3893 .79 .0126 .0084 .0113 .0006 .0074 -.0005 |
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O5 .3645 0 .2714 .83 .0109 .0057 .0156 0 .0065 0 |
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O6 .2326 .1282 1.0265 .90 .0125 .0132 .0072 .0011 .0033 -.0003 |
|
O7 .2474 0 .7868 .81 .0108 .0051 .0166 0 .0078 0 |
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O8 .27370 .18328 .7385 .75 .0095 .0094 .0097 -.0011 .0045 .0024 |
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Ba(C) .08538 0 .3423 .380 1.05 .0128 .0138 .0137 0 .0063 0 |
|
Wat(C) .1043 0 .347 .460 2.37 |
|
Fe(D) 0 0 .5 .460 .91 .0095 .0049 .0130 0 -.0015 0 |
|
K(B) .41995 0 .7027 .89 2.35 .0231 .047 .0185 0 .0088 0 |
|
Na(B) .429 .042 .718 .07 .5 |
|
Na(A) .4133 .2624 .0103 .485 2.05 .021 .021 .040 .0001 .0169 -.0027 |
|
Wat1 -.0248 .1138 -.0061 2.47 .029 .043 .026 -.011 .016 -.005 |
|
Wat2 .4733 .1465 .0102 1.92 .019 .031 .024 -.002 .011 -.002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Note: Predicted ordered structure |
|
Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003655 |
|
14.2446 13.7884 7.75 90 116.709 90 Cm |
|
atom x y z |
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Ti1 .25 .25 .5 |
|
Ti2 0 .2267 .5 |
|
Si1 .2084 .1102 .8043 |
|
Si1' -.2084 .1102 -.8043 |
|
Si2 .3210 .1111 .2511 |
|
Si2' -.3210 .1111 -.2511 |
|
O1 .0824 .1160 .6755 |
|
O1' -.0824 .1160 -.6755 |
|
O2 .1012 .2230 .3922 |
|
OH2' -.1012 .2230 -.3922 |
|
O3 .4204 .1810 .3019 |
|
O3' -.4204 .1810 -.3019 |
|
O4 .26640 .1241 .3916 |
|
O4' -.26640 .1241 -.3916 |
|
O5 .3662 0 .2712 |
|
O5' -.3662 0 -.2712 |
|
O6 .2323 .1278 .0282 |
|
O6' -.2323 .1278 -.0282 |
|
O7 .2476 0 .7867 |
|
O7' -.2476 0 -.7867 |
|
O8 .2743 .1839 .7404 |
|
O8' -.2743 .1839 -.7404 |
|
Ba(C) .0872 0 .3425 |
|
K(B) .4207 0 .7045 |
|
K'(B) -.4207 0 -.7045 |
|
Na(A) -.4134 .2629 -.0012 |
|
Wat1 -.0254 .1129 -.0059 |
|
Wat2 .4732 .1469 .0095 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Note: Predicted ordered structure |
|
Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003656 |
|
14.2446 13.7884 15.5 90 116.709 90 I2/m |
|
atom x y z |
|
Ti1 .25 .25 .5 |
|
Ti2 0 .226788 .5 |
|
Ti2' .5 .273212 .5 |
|
Si1 .20840 -.11019 .65220 |
|
Si1' .70840 .61019 .65220 |
|
Si2 .17900 .38890 .62450 |
|
Si2' .32100 .11110 .37550 |
|
O1 -.08239 .11602 .41232 |
|
O1' .58239 .61602 .58768 |
|
O2 .60118 .27703 .44901 |
|
OH2' .10118 .22297 .44901 |
|
O3 -.07959 .31889 .40100 |
|
O3' .42041 .18111 .40100 |
|
O4 .23360 .37578 .55420 |
|
O4' .26640 .12422 .44580 |
|
O5 .13378 .5 .61440 |
|
O5' .36622 0 .38560 |
|
O6 .26770 .37210 .73589 |
|
O6' .23230 .12790 .26411 |
|
O7 .24768 0 .64336 |
|
O7' .74768 .5 .64336 |
|
O8 .77440 .68389 .62020 |
|
O8' .27440 -.18389 .62020 |
|
Ba(C) .08710 0 .42120 |
|
WatC .39088 .5 .57539 |
|
Mn(D) .5 .5 .5 |
|
K(B) .42070 0 .60219 |
|
K'(B) -.0793 .5 .60219 |
|
Na(A) .41340 -.26291 .75580 |
|
Wat1 .02540 .11281 .25149 |
|
Wat2 .52682 -.14701 .74534 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Note: Predicted ordered structure |
|
Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003657 |
|
14.2446 13.7884 15.5 90 116.709 90 C2/m |
|
atom x y z |
|
Ti1 .75 .75 0 |
|
Ti1' .25 .25 .5 |
|
Ti2 0 .27320 .5 |
|
Ti2' 0 .27320 0 |
|
Si1 .20840 .38980 .65220 |
|
Si1' .20840 .38980 .15220 |
|
Si2 .32100 .38890 .37550 |
|
Si2' .17900 .11110 .12450 |
|
O1 -.08239 .61598 .41230 |
|
O1' .08239 .38402 .08770 |
|
O2 .10121 .27701 .44901 |
|
OH2' .10121 .27701 -.05099 |
|
O3 .07962 .18111 .59901 |
|
O3' .07962 .18111 .09901 |
|
O4 .26638 .37582 .44584 |
|
O4' .23362 .12418 .05416 |
|
O5 .36622 .5 .38558 |
|
O5' -.36622 .5 .11442 |
|
O6 -.23230 .62790 .23588 |
|
O6' .23230 .37210 .26412 |
|
O7 .24773 .5 .64340 |
|
O7' .24773 .5 .14340 |
|
O8 .22561 .183890 .37978 |
|
O8' -.22561 .816110 .12022 |
|
Ba(C) .08710 .5 .42120 |
|
Mn(D) 0 .5 0 |
|
Wat(C) -.10908 .5 .07544 |
|
K(B) .42070 .5 .60220 |
|
K'(B) .57930 .5 .89780 |
|
Na(A) .08660 .26290 .24419 |
|
Wat1 -.02538 .61278 .24854 |
|
Wat2 .02678 .14705 .74534 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Shafranovskite |
|
Krivovichev S V, Yakovenchuk V N, Armbruster T, Pakhomovsky Y A, |
|
Weber H-P, Depmeier W |
|
American Mineralogist 89 (2004) 1816-1821 |
|
Synchrotron X-ray diffraction study of the structure of shafranovskite, |
|
K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate |
|
from Kola peninsula, Russia |
|
Locality: Kola peninsula, Russia |
|
_database_code_amcsd 0003660 |
|
14.519 14.519 21.062 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Na1 .0681 .5602 .7052 .043 |
|
Na2 .2252 .8230 .7248 .043 |
|
Na3 .9206 .4395 .4498 .096 |
|
K1 .1909 .7494 .4561 .081 |
|
K2 .1464 .9166 .9865 .90 .068 |
|
Mn1 .9629 .7169 .71758 .033 |
|
Mn2 .9150 .2978 .71055 .030 |
|
Mn3 .8563 .8767 .7376 .82 .041 |
|
Mn4 .8092 .4569 .69027 .80 .028 |
|
Si1 .9527 .6271 .5734 .0353 |
|
Si2 0 0 .6080 .033 |
|
Si3 .9511 .8083 .8625 .051 |
|
Si4 .0546 .6703 .8464 .0411 |
|
Si5 .0996 .8621 .5978 .0353 |
|
Si6 .7082 .5229 .5676 .0353 |
|
Si7 .9916 .2923 .8547 .043 |
|
Si8 .8978 .4320 .8288 .0393 |
|
Si9 .0563 .3964 .5849 .0343 |
|
Si10 2/3 1/3 .8197 .038 |
|
Si11 2/3 1/3 .4923 .72 .035 |
|
O1 .0964 .8446 .6737 .041 |
|
O2 .9496 .6004 .6452 .043 |
|
O3 .0464 .3989 .6572 .044 |
|
OH4 .8408 .7411 .6739 .051 |
|
O5 .8824 .9240 .5775 .033 |
|
O6 .6627 .6002 .5506 .050 |
|
OH7 .8156 .5869 .7518 .043 |
|
OH8 .1314 .5110 .5521 .060 |
|
O9 .2125 .8924 .5651 .037 |
|
OH10 .0893 .3668 .8974 .075 |
|
O11 .0655 .6929 .7722 .039 |
|
O12 .7980 .3095 .6395 .067 |
|
O13 .8262 .7504 .8825 .060 |
|
OH14 .1570 .7087 .8844 .065 |
|
OH15 2/3 1/3 .4164 .72 .055 |
|
O16 .9745 .8456 .7891 .068 |
|
O17 .7149 .7277 .7802 .044 |
|
O18 0 0 .6826 .041 |
|
OH19 .0100 .9045 .9110 .069 |
|
OH20 .0076 .5850 .5232 .045 |
|
O21 .0892 .4307 .3646 .046 |
|
O22 .6471 .4233 .5196 .048 |
|
O23 .9856 .7203 .8785 .059 |
|
O24 .7546 .1695 .5481 .046 |
|
Wat25 .4569 .7811 .6385 .086 |
|
O26 .0096 .7536 .5616 .040 |
|
O27 2/3 1/3 .7425 .044 |
|
O28 .9087 .4267 .7557 .040 |
|
O29 .9853 .5450 .8638 .045 |
|
Wat30 .3500 .7967 .7853 .080 |
|
O31 .7811 .4129 .8491 .049 |
|
Wat32 1/3 2/3 .4932 .174 |
|
|
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View JMOL 3-D Structure
|
| |
|
Chivruaiite |
| |
Men'shikov Y P, Krivovichev S V, Pakhomovsky Y A, Yakovenchuk V N, |
|
Ivanyuk G Yu, Mikhailova J A, Armbruster T, Selivanova E A |
|
American Mineralogist 91 (2006) 922-928 |
|
Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral |
|
from hydrothermal veins of Khibiny and Lovozero alkaline massifs |
|
Locality: Chivruai River valley, Kola peninsula, Russia |
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_database_code_amcsd 0004161 |
|
7.1918 23.166 6.9472 90 90 90 Cmmm |
|
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 0 .13883 .2145 .35 .0320 .0165 .0247 .055 0 0 .014 |
|
Sr1 0 .13883 .2145 .025 .0320 .0165 .0247 .055 0 0 .014 |
|
Mn2 .25 .25 .5 .10 .024 .023 .037 .012 .008 0 0 |
|
Ca2 .25 .25 .5 .075 .024 .023 .037 .012 .008 0 0 |
|
K -.856 .5 .5 .05 .120 |
|
Ba -.856 .5 .5 .025 .120 |
|
Ti1 .25 .25 0 .78 .0172 .0224 .0156 .0137 .0067 0 0 |
|
Nb1 .25 .25 0 .22 .0172 .0224 .0156 .0137 .0067 0 0 |
|
Ti2 -.5 .5 .0319 .25 .020 .0171 .0106 .033 0 0 0 |
|
Si1 0 .33852 .27054 .0143 .0173 .0161 .0096 0 0 -.0002 |
|
Si2 .0962 .43567 0 .50 .0155 .0152 .0101 .0211 -.0007 0 0 |
|
O1 0 .5 0 .0235 .024 .011 .035 0 0 0 |
|
O2 0 .3454 .5 .0351 .068 .028 .010 0 0 0 |
|
O3 0 .21976 0 .696 .0192 .014 .016 .028 0 0 0 |
|
OH3 0 .21976 0 .304 .0192 .014 .016 .028 0 0 0 |
|
O4 .1851 .30653 .2009 .0341 .0191 .0407 .043 .0071 -.004 -.027 |
|
O5 0 .40438 .1893 .0350 .067 .0182 .020 0 0 .003 |
|
Wat6 0 .1986 .5 .072 .090 .071 .056 0 0 0 |
|
O7 .3179 .4387 .0420 .25 .024 .013 .020 .040 -.001 .000 .000 |
|
Wat8 -.5 .5 .414 .30 .064 |
|
O9 -.5 .5 .267 .174 .042 |
|
OH9 -.5 .5 .267 .076 .042 |
|
Wat10 0 .5 .5 .34 .13 |
|
Wat11 -.5 .5783 .5 .29 .080 |
|
Wat12 .413 .411 0 .12 .080 |
|
Wat13 -.340 .5686 .425 .19 .080 |
|
Wat14 0 .099 .166 .11 .080 |
|
|
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View JMOL 3-D Structure
|
| |
|
Armbrusterite |
| |
Yakovenchuk V N, Krivovichev S K, Pakhomovsky Y A, Ivanyuk G Y, Selivanova E A, |
|
Menshikov Y P, Britvin S N |
| |
American Mineralogist 92 (2007) 416-423 |
|
Armbrusterite, K5Na6Mn3+Mn2+14[Si9O22]4(OH)10*4H2O, a new Mn hydrous |
|
heterophyllosilicate from the Khibiny alkaline massif, Kola Peninsula, Russia |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0004282 |
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17.333 23.539 13.4895 90 115.069 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) |
|
K1 .210 .9513 .4905 .30 .090 |
|
K2 .505 0 .6035 .28 .072 |
|
K3 0 0 .5 .16 .042 |
|
K5 .9725 .6967 .495 .20 .1 |
|
K6 .815 .6705 .490 .17 .1 |
|
K7 .854 .7263 .479 .17 .1 |
|
K10 .824 .560 .477 .11 .1 |
|
K11 .398 .0665 .485 .12 .1 |
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Na1 .8465 .14408 .0470 .0294 .0225 .0192 .047 -.0010 .0151 .001 |
|
Na2 .5 .8511 0 .031 .026 .026 .048 0 .024 0 |
|
Mn2+1 0 .06931 0 .0223 .0162 .0150 .0381 0 .0139 0 |
|
Mn2+2 0 .21062 0 .0219 .0153 .0170 .0355 0 .0127 0 |
|
Mn2+3 .32397 .07102 .96233 .0223 .0168 .0157 .0388 -.0003 .0160 -.0005 |
|
Mn2+4 .84790 0 .04652 .0229 .0155 .0178 .0380 0 .0141 0 |
|
Mn3+5 .5 0 0 .0214 .0137 .0181 .0351 0 .0129 0 |
|
Mn2+6 .67138 .78453 .01290 .0230 .0174 .0173 .0395 .0008 .0170 .0011 |
|
Si1 .28669 .06392 .1804 .0203 .0150 .0156 .0345 -.0001 .0144 .0009 |
|
Si2 .85334 .86802 .7929 .0205 .0135 .0166 .0342 .0018 .0128 -.0003 |
|
Si3 .39902 .06387 .7713 .0213 .0138 .0181 .0354 -.0004 .0139 .0000 |
|
Si4 .85790 .74466 .7667 .0222 .0148 .0186 .0346 -.0014 .0117 -.0010 |
|
Si5 .01462 .06473 .2525 .0206 .0167 .0133 .0363 .0009 .0156 .0000 |
|
Si6 .02831 .75457 .7661 .0221 .0165 .0180 .0359 -.0014 .0151 .0008 |
|
Si7 .25042 .85840 .7343 .0209 .0130 .0170 .0340 .0005 .0113 .0006 |
|
Si8 .05700 .14539 .6269 .0206 .0125 .0198 .0319 -.0001 .0117 -.0015 |
|
Si9 .43999 .13157 .2007 .0201 .0124 .0150 .0354 -.0013 .0124 -.0004 |
|
O3 .2454 .0672 .0507 .0234 .018 .016 .041 -.001 .016 -.001 |
|
O5 .4031 .1383 .0717 .0243 .016 .018 .038 .002 .011 -.003 |
|
O6 .2603 .8580 .8579 .0269 .022 .028 .032 -.003 .012 -.002 |
|
O7 .9042 .7291 .8946 .0250 .018 .027 .033 -.004 .014 -.003 |
|
O8 .9465 .0659 .1274 .0238 .022 .016 .037 -.006 .016 -.004 |
|
O9 .9156 .8623 .9180 .0231 .016 .018 .037 -.001 .014 .001 |
|
O10 .4251 .0613 .8999 .0242 .016 .022 .039 .002 .017 -.001 |
|
O11 .0479 0 .2970 .0255 .025 .014 .044 0 .021 0 |
|
O12 .9007 .8973 .7236 .0271 .026 .020 .040 -.004 .019 -.003 |
|
O13 .8129 .8070 .7384 .0237 .019 .012 .038 -.004 .009 .000 |
|
O14 .4644 .1037 .7424 .0244 .023 .017 .035 -.003 .014 .001 |
|
O15 .0671 .7719 .8922 .0259 .019 .028 .032 .002 .012 -.002 |
|
O16 .0597 .6928 .7419 .0236 .022 .021 .033 .002 .017 .003 |
|
O17 .3033 .9103 .7082 .0245 .015 .021 .041 -.002 .015 -.001 |
|
O18 0 .1576 .5 .032 .022 .040 .035 0 .013 0 |
|
O19 .7830 .7004 .6985 .0252 .018 .017 .039 -.004 .011 .002 |
|
O20 .2999 0 .2285 .027 .031 .013 .039 0 .017 0 |
|
O21 .1529 .1329 .6433 .0274 .016 .030 .042 -.001 .017 -.005 |
|
O22 .0547 .1999 .6958 .0315 .030 .025 .044 .002 .021 -.005 |
|
O23 .3814 .0906 .2391 .0290 .018 .033 .035 -.010 .010 .000 |
|
O24 .3989 0 .7223 .0238 .023 .019 .037 0 .020 0 |
|
O26 .9254 .7478 .7106 .0284 .014 .038 .033 -.004 .010 -.002 |
|
O27 .7697 .9067 .7654 .0293 .022 .030 .035 .012 .012 .001 |
|
O28 .9767 .0893 .3356 .0284 .023 .022 .051 -.004 .027 -.001 |
|
OH1 .2409 0 .8736 .0265 .023 .022 .040 0 .018 0 |
|
OH2 .4119 0 .0649 .029 .021 .023 .049 0 .019 0 |
|
OH4 .0899 0 .0692 .027 .024 .022 .038 0 .016 0 |
|
OH25 .7508 .7120 .0734 .0270 .018 .024 .042 .002 .016 .003 |
|
Wat1 0 .652 .5 .35 .1 |
|
Wat2 0 .586 .5 .34 .1 |
|
Wat3 .878 .683 .434 .26 .1 |
|
Wat4 .824 .613 .478 .29 .1 |
|
Wat5 .243 0 .413 .26 .1 |
|
Wat6 .218 0 .509 .26 .1 |
|
Wat7 .8609 0 .3821 .70 .1 |
|
|
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|
| |
|
Eliseevite |
| |
Yakovenchuk V N, Ivanyuk G Y, Krivovichev S V, Pakhomovsky Y A, Selivanova E A, |
|
Korchak J A, Men'shikov Y P, Drogobuzhskaya S V, Zalkind O A |
| |
American Mineralogist 96 (2011) 1624-1629 |
|
Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate |
|
from the Lovozero alkaline massif (Kola Peninsula, Russia) |
|
Locality: the Lovozero alkaline massif, Kola Peninsula, Russia |
|
Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths |
|
_database_code_amcsd 0018483 |
|
27.483 8.669 5.246 90 90.782 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .1655 .1972 -.3797 .75 .0252 .034 .0204 .0211 .0038 .0062 -.0032 |
|
Li 0 .3675 .25 .009 .002 .007 .019 0 .005 0 |
|
Ti .1641 .4057 .1256 .0140 .0177 .0129 .0113 .0002 -.0001 .0007 |
|
Si1 .2659 .5897 .2901 .0124 .0172 .0114 .0087 .0001 -.0003 -.0001 |
|
Si2 .0910 .0990 .0307 .0259 .0234 .0197 .0347 -.0012 -.0006 .0006 |
|
O1 .2070 .5773 .2890 .0148 .020 .015 .0096 -.0013 -.0004 .0002 |
|
O2 .2873 .7602 .2663 .0170 .024 .014 .013 -.0029 -.0039 -.0011 |
|
O3 .1049 .0218 .3022 .048 .036 .044 .065 .001 -.007 .034 |
|
O4 .1331 .4340 .4235 .0165 .019 .020 .010 -.0022 .0024 -.0019 |
|
O5 .2873 .4920 .0490 .0148 .016 .019 .0096 -.0012 .0005 -.0035 |
|
O6 .1219 .2514 -.0083 .021 .030 .019 .015 -.0055 .0008 -.0012 |
|
OH7 .0329 .1310 .0142 .75 .041 .028 .055 .041 .013 .000 .010 |
|
O7 .0329 .1310 .0142 .25 .041 .028 .055 .041 .013 .000 .010 |
|
Wat8 -.0376 .3854 -.049 .144 .106 .105 .222 -.027 .105 -.045 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ivanyukite-Na-T |
| |
Yakovenchuk V N, Nikolaev A P, Selivanova E A, Pakhomovsky Y A, |
|
Korchak J A, Spiridonova D V, Zalkind O A, Krivovichev S V |
| |
American Mineralogist 94 (2009) 1450-1458 |
|
Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu: |
|
New microporous titanosilicates from the Khibiny massif |
|
(Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T |
|
Locality: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0004993 |
|
10.921 10.921 13.885 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .4793 .2397 .3529 .026 .025 .0233 .029 .0126 .0023 .0011 |
|
Ti2 2/3 1/3 .1747 .033 .027 .027 .045 .0134 .000 .000 |
|
Si .3323 .1661 .1461 .031 .027 .026 .041 .0134 -.014 -.0068 |
|
K 2/3 1/3 .6181 .52 .038 |
|
Na .1974 .3949 .2062 .48 .029 |
|
O1 .3317 .1658 .2665 .037 .012 .044 .045 .006 -.012 -.006 |
|
O2 .2616 .0061 .1036 .033 .034 .026 .035 .013 -.007 -.004 |
|
O3 .4934 .2467 .1031 .030 .027 .020 .045 .013 -.024 -.012 |
|
O4 2/3 1/3 .426 .030 .027 .027 .036 .013 .000 .000 |
|
O5 .5900 .4100 .2750 .038 .039 .039 .041 .023 -.002 .002 |
|
Wat6 .140 .280 .352 .092 |
|
Wat7 .098 .5491 .238 .072 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Henrymeyerite |
|
Mitchell R H, Yakovenchuk V N, Chakhmouradian A R, Burns P C, |
|
Pakhomovsky Y A |
|
The Canadian Mineralogist 38 (2000) 617-626 |
|
Henrymeyerite, a new hollandite-type Ba-Fe titanate from the |
|
Kovdor Complex, Russia |
|
Locality: Kovdor Complex, Russia |
|
_database_code_amcsd 0005647 |
|
10.219 10.219 2.963 90 90 90 I4/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 0 0 .5 .86 .0290 .0290 .0310 0 0 0 |
|
Na 0 0 .5 .09 .0290 .0290 .0310 0 0 0 |
|
K 0 0 .5 .01 .0290 .0290 .0310 0 0 0 |
|
La 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
|
Ce 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
|
Ti .34985 .16604 0 .86 .0090 .0121 .0060 .0021 0 0 |
|
Fe .34985 .16604 0 .13 .0090 .0121 .0060 .0021 0 0 |
|
O1 .1558 .2037 0 .010 .015 .009 .000 0 0 |
|
O2 .5390 .1672 0 .010 .013 .013 .000 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cerite-(La) |
| |
Pakhomovsky Y A, Men'shikov Y P, Yakovenchuk V N, Ivanyuk G Y, |
|
Krivovichev S V, Burns P C |
|
The Canadian Mineralogist 40 (2002) 1177-1184 |
|
Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral |
|
from the Khibiny Alkaline Massif: Occurrence and crystal structure |
|
Locality: Khibina alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0005786 |
|
10.7493 10.7493 38.318 90 90 120 R3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La(1) .25867 .13428 .068094 .47 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
Ce(1) .25867 .13428 .068094 .29 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
Ca(1) .25867 .13428 .068094 .15 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
Sr(1) .25867 .13428 .068094 .04 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
Nd(1) .25867 .13428 .068094 .02 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
Pr(1) .25867 .13428 .068094 .01 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
|
La(2) .14209 .26126 .43210 .47 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
Ce(2) .14209 .26126 .43210 .29 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
Ca(2) .14209 .26126 .43210 .15 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
Sr(2) .14209 .26126 .43210 .04 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
Nd(2) .14209 .26126 .43210 .02 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
Pr(2) .14209 .26126 .43210 .01 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
|
La(3) .25878 .13436 .17585 .47 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Ce(3) .25878 .13436 .17585 .29 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Ca(3) .25878 .13436 .17585 .15 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Sr(3) .25878 .13436 .17585 .04 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Nd(3) .25878 .13436 .17585 .02 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Pr(3) .25878 .13436 .17585 .01 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
|
Si(1) .3184 .1485 .36239 .0129 .0073 .0160 .0140 .0051 -.0002 .0001 |
|
O(1) .2562 .0915 .3228 .0330 .0280 .0560 .0110 .0180 -.0040 -.0120 |
|
O(2) .2781 .0026 .3850 .0160 .0120 .0160 .0190 .0060 .0040 .0020 |
|
O(3) .2625 .2513 .3784 .0200 .0150 .0200 .0220 .0060 .0070 .0050 |
|
O(4) .0817 .1730 .0295 .0167 .0160 .0160 .0230 .0110 .0000 -.0030 |
|
Si(2) .1504 .3257 .13689 .0173 .0150 .0234 .0126 .0089 -.0003 .0005 |
|
O(5) .2448 .2711 .1162 .0240 .0220 .0310 .0220 .0150 .0010 -.0100 |
|
O(6) -.0105 .2701 .1224 .0210 .0240 .0250 .0130 .0110 -.0030 .0000 |
|
O(7) .1668 .0742 .4664 .0168 .0140 .0160 .0200 .0080 .0010 .0010 |
|
O(8) .1375 .2815 .1782 .0212 .0240 .0230 .0120 .0080 -.0030 .0000 |
|
FeM 0 0 -.00168 .32 .0137 .0135 .0135 .0140 .0068 0 0 |
|
CaM 0 0 -.00168 .30 .0137 .0135 .0135 .0140 .0068 0 0 |
|
MgM 0 0 -.00168 .23 .0137 .0135 .0135 .0140 .0068 0 0 |
|
Si(3) 0 0 .2520 .90 .0125 .0111 .0111 .0150 .0055 0 0 |
|
O(9) .1597 .0338 .2400 .0300 .0180 .0420 .0310 .0160 -.0040 -.0110 |
|
OH(10) 0 0 .2961 .0100 |
|
OH(11) 0 0 .0897 .0160 .0700 .0070 .0330 .0040 0 0 |
|
OH(12) 0 0 .1600 .0210 .0120 .0120 .0390 .0060 0 0 |
|
OH(13) 0 0 .4090 .0350 .0290 .0290 .0450 .0150 0 0 |
|
Ca 0 0 .3092 .10 .0100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorbartonite |
| |
Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P, Ivanyuk G Y, |
|
Krivovichev S V, Burns P C |
|
The Canadian Mineralogist 41 (2003) 503-511 |
|
Chlorbartonite, K6Fe24S26(Cl,S), a new mineral species from a hydrothermal |
|
vein in the Khibina Massif, Kola Peninsula, Russia: Description and |
|
crystal structure |
|
Locality: Khibina Massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0005834 |
|
10.3810 10.3810 20.614 90 90 90 I4/mmm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .29581 0 0 .0233 .021 .026 .023 0 0 0 |
|
K2 0 0 .15318 .0235 .0241 .0241 .022 0 0 0 |
|
Fe1 .13076 .36801 .18394 .0159 .0174 .0161 .0143 .0000 -.0004 -.0005 |
|
Fe2 .36856 .36856 .06625 .0161 .0160 .0160 .0164 -.0001 -.0001 -.0001 |
|
S1 .22763 .22763 .11387 .0160 .0162 .0162 .0154 .0009 .0011 .0011 |
|
S2 0 .24716 .25142 .0158 .0166 .0164 .0146 0 0 -.0006 |
|
S3 .24677 1/2 0 .0157 .016 .017 .014 0 0 0 |
|
S4 0 1/2 .12252 .0158 .016 .016 .015 0 0 0 |
|
S5 0 0 .37261 .0161 .0170 .0170 .014 0 0 0 |
|
Cl 0 0 0 .0217 .021 .021 .024 0 0 0 |
|
|
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|
| |
|
Krivovichevite |
| |
Krivovichev S V, Armbruster T, Yakovenchuk V N |
| |
The Canadian Mineralogist 47 (2009) 153-158 |
|
The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH) |
|
Locality: Mt. Lepkhe-Nelm, Lovozero alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006276 |
|
7.742 7.742 32.082 90 90 120 R3c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .31619 .27974 .85506 .0154 .0168 .0141 .0161 .0083 .0018 .0012 |
|
Al 0 0 .9403 .012 .012 .012 .012 .0060 0 0 |
|
S 2/3 1/3 .9359 .014 .014 .014 .015 .0071 0 0 |
|
OH1 -.0221 .1852 .9033 .017 .024 .013 .024 .017 .003 .005 |
|
OH2 .0356 -.1776 .9761 .017 .017 .017 .014 .006 .000 .001 |
|
OH3 0 0 .8259 .019 .017 .017 .022 .008 0 0 |
|
O4 2/3 1/3 .8894 .021 .020 .020 .024 .010 0 0 |
|
O5 .5547 .1231 .9506 .017 .009 .012 .026 .001 -.002 .006 |
|
|
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|
| |
|
Strontiofluorite |
| |
Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, |
|
Selivanova E A, Korchak J A, Nikolaev A P |
| |
The Canadian Mineralogist 48 (2010) 1487-1492 |
|
Strontiofluorite, SrF2, a new mineral species from |
|
the Khibiny Massif, Kola Peninsula, Russia |
|
Locality: Khibiny Massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0018325 |
|
5.713 5.713 5.713 90 90 90 Fm3m |
|
atom x y z |
|
Sr 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ellingsenite |
| |
Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Mikhailova J A, |
|
Krivovichev S V, Zolotarev A A, Zalkind O A |
| |
The Canadian Mineralogist 49 (2011) 1165-1173 |
|
Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species |
|
from phonolite of the Aris alkaline complex, Namibia |
|
Locality: Ariskop quarry, Aris alkaline complex, Namibia |
|
Note: This is reported as an incomplete structure |
|
_database_code_amcsd 0018739 |
|
9.576 9.577 16.438 85.85 75.23 60.142 P-1 |
|
atom x y z occ Uiso |
|
Na1 .5 0 .5 .021 |
|
Na2 .8448 -.2128 .7107 .86 .017 |
|
Ca1 .3564 -.2907 -.5025 .0152 |
|
Ca2 .0818 -.8582 -.5130 .0125 |
|
Ca3 .7756 -.4159 -.4942 .55 .018 |
|
Na3 .7756 -.4159 -.4942 .45 .018 |
|
Si1 .4595 -.4440 -.2301 .0166 |
|
Si2 .8056 -.6630 -.3328 .0125 |
|
Si3 .2987 .4577 -.3268 .0139 |
|
Si4 .0501 -.0324 -.3309 .0114 |
|
Si5 .9247 -.4153 -.3246 .0147 |
|
Si6 .4183 -.1603 -.3312 .0128 |
|
Si7 .5453 .0888 -.3254 .0135 |
|
Si8 .7899 -.1100 -.2225 .0161 |
|
O1 .085 -.0778 -.4272 .015 |
|
O2 .930 -.365 -.4182 .033 |
|
O3 .664 .067 -.4171 .019 |
|
O4 .370 .479 -.4222 .021 |
|
O5 .815 -.6616 -.4293 .015 |
|
O6 .7816 -.1980 -.5624 .013 |
|
O7 .392 .271 -.3022 .021 |
|
O8 .757 -.091 -.1237 .042 |
|
O9 .870 -.550 -.3030 .021 |
|
O10 .932 -.841 -.3092 .018 |
|
O11 .638 .044 -.2506 .018 |
|
O12 .109 .496 -.3075 .021 |
|
O13 .495 -.231 -.4249 .017 |
|
O14 .308 -.438 -.2593 .019 |
|
O15 .963 -.121 -.2697 .020 |
|
O16 .625 -.606 -.2730 .023 |
|
O17 .454 -.018 -.3154 .018 |
|
O18 .214 -.072 -.3035 .019 |
|
O19 .482 -.291 -.2622 .020 |
|
O20 .802 -.272 -.2505 .023 |
|
O21 .421 -.440 -.1317 .041 |
|
Wat22 .385 .084 -.187 .25 .05 |
|
Wat23 .915 -.222 -.857 .73 .05 |
|
|
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|
| |
|
Punkaruaivite |
|
Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Men'shikov Y P, |
|
Korchak J A, Krivovichev S V, Spiridonova D V, Zalkind O A |
| |
The Canadian Mineralogist 48 (2010) 41-50 |
|
Punkaruaivite, LiTi2[Si4O11(OH)]2*H2O, a new mineral species from hydrothermal |
|
assemblages, Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia |
|
Locality: Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia |
|
_database_code_amcsd 0006314 |
|
26.688 8.7568 5.2188 90 91.189 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li 0 .518 .25 .090 .0158 .0153 .0131 .0005 .0002 .0035 |
|
Ti .16618 .10480 .8920 .0147 |
|
Si1 .08868 .6008 .5131 .0492 .0467 .0424 .058 -.0087 .0012 .0025 |
|
Si2 .26853 .08447 .2283 .0110 .0147 .0107 .0077 -.0009 00009 .0002 |
|
O1 .20759 .0690 .2160 .0124 .015 .0130 00099 -.0003 .0011 .0012 |
|
OH2 .12949 .0614 .5811 .0180 .018 .020 .016 .0024 -.0013 -.0047 |
|
O3 .28699 .2594 .2216 .0166 .023 .014 .013 -.0027 -.0006 .0013 |
|
O4 .29072 -.0061 -.0141 .0147 .016 .019 .0093 .0010 .0012 -.0036 |
|
O5 .1214 .7493 .5087 .0289 .030 .025 .032 -.006 .007 .006 |
|
O6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002 |
|
Wat6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002 |
|
O7 .1012 .5048 .767 .101 .112 .089 .104 .005 .015 .049 |
|
Wat8 .0323 .109 .520 .5 .141 |
|
|
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|
| |
|
Rimkorolgite |
|
Krivovichev S V, Britvin S N, Burns P C, Yakovenchuk V N |
| |
European Journal of Mineralogy 14 (2002) 397-402 |
|
Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison |
|
with bakhchisaraitsevite |
|
_database_code_amcsd 0006928 |
|
8.3354 12.8304 18.313 90 90.025 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) |
|
Ba .23818 .08279 .00270 .0168 .0132 .0169 .0202 .0009 -.0014 .0003 |
|
Mg1 -.2804 .1866 -.0681 .0060 .0060 .0051 .0067 -.0011 .0012 .0012 |
|
Mg2 .1951 -.0758 -.2292 .0144 .0079 .0085 .0177 .0010 .0001 .0001 |
|
Mg3 -.1979 -.0817 -.2458 .0113 .0093 .0094 .0151 -.0010 .0016 -.0024 |
|
Mg4 -.2956 -.3127 -.2691 .0103 .0093 .0066 .0152 -.0004 -.0014 -.0005 |
|
Mg5 .3129 -.3053 -.2457 .0093 .0088 .0077 .0115 -.0010 .0022 -.0009 |
|
P1 -.0213 .0941 -.1470 .0106 .0089 .0095 .0135 -.0003 -.0001 -.0006 |
|
P2 -.0108 -.2556 -.1499 .0097 .0079 .0107 .0104 -.0012 -.0003 -.0003 |
|
P3 .4900 -.0228 .14849 .0097 .0092 .0084 .0115 .0002 .0003 .0022 |
|
P4 .5125 .1408 .3473 .0105 .0078 .0111 .0126 -.0017 .0002 -.0005 |
|
Wat1 .3684 .2150 .5338 .0286 .0340 .0200 .0310 -.0010 .0040 .0020 |
|
Wat2 .2530 -.4456 -.1904 .0126 .0140 .0080 .0160 -.0010 -.0010 -.0030 |
|
O3 -.0536 .0670 -.0679 .0169 .0180 .0160 .0170 -.0040 .0000 -.0010 |
|
O4 -.0143 -.0033 -.1963 .0106 .0090 .0090 .0140 .0010 -.0030 -.0060 |
|
Wat5 -.2462 -.4472 -.2051 .0122 .0120 .0080 .0170 .0010 .0000 .0000 |
|
O6 .4484 -.0632 .0711 .0100 .0160 .0060 .0070 .0000 -.0010 .0020 |
|
O7 .1485 -.2219 -.1860 .0106 .0070 .0080 .0170 -.0030 .0050 -.0010 |
|
O8 -.0296 -.2006 -.0767 .0135 .0140 .0150 .0120 .0040 .0040 -.0040 |
|
O9 .6452 .1593 .2898 .0110 .0080 .0090 .0150 -.0010 .0060 .0030 |
|
O10 .1334 .1549 -.1520 .0178 .0180 .0150 .0210 -.0090 .0050 -.0020 |
|
O11 -.1480 -.2277 -.2016 .0131 .0130 .0130 .0130 .0020 -.0030 .0020 |
|
Wat12 .5126 -.2630 -.1749 .0153 .0120 .0160 .0180 .0010 .0020 -.0040 |
|
O13 -.1660 .1625 -.1694 .0142 .0110 .0170 .0150 .0060 -.0030 .0000 |
|
O14 .3645 .0592 .1697 .0136 .0120 .0060 .0230 .0030 .0060 .0000 |
|
O15 .3499 .1695 .3126 .0106 .0070 .0100 .0150 .0050 -.0030 .0010 |
|
O16 .4958 -.1157 .2022 .0110 .0080 .0110 .0140 .0010 -.0030 .0040 |
|
O17 .5112 .0241 .3700 .0131 .0140 .0050 .0200 -.0040 .0020 .0030 |
|
Wat18 -.0050 .3753 -.1811 .0176 .0170 .0150 .0220 -.0010 .0040 .0000 |
|
Wat19 -.2704 .1543 .0388 .0279 .0200 .0390 .0250 -.0190 -.0140 -.0050 |
|
O20 .6568 .0290 .1467 .0132 .0090 .0120 .0180 -.0030 -.0010 .0010 |
|
O21 -.0072 -.3758 -.1375 .0134 .0110 .0110 .0190 -.0020 .0040 .0040 |
|
Wat22 .7063 .0064 .4930 .0700 .0910 .0440 .0740 -.0120 -.0390 .0300 |
|
O23 .5485 .2083 .4149 .0150 .0180 .0070 .0200 -.0030 .0020 -.0050 |
|
Wat24 -.1151 .3130 -.0376 .0242 .0280 .0210 .0240 -.0010 -.0030 -.0030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lamprophyllite |
|
Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P |
| |
European Journal of Mineralogy 15 (2003) 711-718 |
|
Crystal structures of lamprophyllite-2M and lamprophyllite-2O |
|
from the Lovozero alkaline massif, Kola peninsula, Russia |
|
Note: displacement factors have been altered by Krivovichev, November 2003 |
|
Locality: Lovozero alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0007012 |
|
19.215 7.061 5.3719 90 96.797 90 C2/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti(1) .15057 0 .70775 .0056 .0074 .0046 .0045 0 0 0 |
|
Ti(2) 0 1/2 0 .0246 .0288 .0050 .0339 0 -.0222 0 |
|
Si .14390 .28459 .2049 .0078 .0103 .0051 .0078 .0010 0 .0004 |
|
Na(1) 0 .2590 1/2 .0102 .0146 .0077 .0085 0 .0027 0 |
|
Na(2) 0 0 0 .0174 .0190 .0170 .0172 0 .0062 0 |
|
Sr .28418 0 .26213 .0153 .0214 .0128 .0116 0 .0009 0 |
|
O(1) .4425 0 .2758 .0169 .0160 .0140 .0220 0 .0050 0 |
|
O(2) .17480 .1889 .4674 .0155 .0155 .0158 .0146 -.0028 -.0005 .0061 |
|
O(3) .17532 .1875 .9712 .0143 .0127 .0138 .0166 -.0021 .0028 -.0054 |
|
O(4) .1777 .5000 .2200 .0113 .0130 .0050 .0150 0 -.0013 0 |
|
O(5) .05951 .2965 .1725 .0127 .0092 .0087 .0198 .0005 -.0001 -.0018 |
|
O(6) .0623 0 .6677 .0200 .0120 .0350 .0130 0 .0002 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lamprophyllite |
|
Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P |
| |
European Journal of Mineralogy 15 (2003) 711-718 |
|
Crystal structures of lamprophyllite-2M and lamprophyllite-2O |
|
from the Lovozero alkaline massif, Kola peninsula, Russia |
|
Note: displacement factors have been altered by Krivovichev, November 2003 |
|
Locality: Lovozero alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0007013 |
|
19.128 7.0799 5.3824 90 90 90 Pnmn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .34914 0 .1442 .0027 .0010 .0023 .0048 0 .0002 0 |
|
Ti2 0 0 0 .0254 .0240 .0054 .0470 0 -.0280 0 |
|
Si .14413 .2161 .1440 .0041 |
|
Na1 .5 .2588 0 .0085 .0090 .0050 .0120 0 -.0024 0 |
|
Na2 .5 0 .5 .0110 .0120 .0080 .0130 0 -.0050 0 |
|
Sr .21584 0 .6453 .0126 .0135 .0097 .0145 0 -.0001 0 |
|
OH1 .0570 0 .702 .0190 |
|
O2 .3239 .1864 .3952 .0110 |
|
O3 .3250 .1867 .8900 .0097 |
|
O4 .1777 0 .1448 .0050 |
|
O5 .0593 .2044 .1478 .0102 |
|
O6 .4376 0 .141 .0190 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinobarylite |
| |
Krivovichev S V, Yakovenchuk V N, Armbruster T, Mikhailova Y, Pakhomovsky Y A |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 373-384 |
|
Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and |
|
physical properties |
|
Locality: Khibina alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0014931 |
|
11.650 4.922 4.674 90 90 90 Pmn2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .5 .2027 .5079 .0127 .01354 .01192 .01256 -.0002 0 0 |
|
Be .75195 .1671 -.0147 .0067 |
|
Si .6282 .67564 -.0141 .0064 .0044 .00579 .00900 -.0033 .0024 -.0010 |
|
O1 .63911 .3521 -.9436 .0044 |
|
O2 .77733 .1340 -.3534 .0072 |
|
O3 .5 .7741 -.0767 .0144 |
|
O4 .63300 .7324 -.3550 .0091 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mangan-neptunite |
|
Zolotarev A A, Krivovichev S V, Yakovenchuk V N |
| |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 136 (2007) 118-123 |
|
Refinement of the mangan-neptunite structure |
|
Locality: synthetic |
|
Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364 |
|
_database_code_amcsd 0015716 |
|
16.4821 12.5195 10.0292 90 115.474 90 Cc |
|
atom x y z Uiso |
|
Si1 .14640 .40807 .0626 .0061 |
|
Si2 .85522 .59502 -.0595 .0065 |
|
Si3 .52338 .22472 .0836 .0070 |
|
Si4 .47738 .77184 -.0855 .0062 |
|
Si5 .76903 .47365 .1105 .0065 |
|
Si6 .22894 .52406 .8915 .0065 |
|
Si7 .89388 .15208 .0790 .0069 |
|
Si8 .10519 .85221 -.0834 .0064 |
|
Ti1 .34233 .32364 .10313 .0062 |
|
Ti2 .08716 .05326 .11462 .0064 |
|
Fe1 .66082 .68390 -.09788 .0118 |
|
Fe2 -.08942 -.06065 .88539 .0122 |
|
Na1 .2654 .1974 .3127 .0210 |
|
Na2 .7368 .8012 .6971 .0170 |
|
K -.00131 .42070 .2497 .0234 |
|
Li .5007 .4349 .249 .0150 |
|
O1 .9580 .0530 .0768 .0074 |
|
O2 .0502 -.0437 -.0702 .0078 |
|
O3 .4558 .3229 .0729 .0076 |
|
O4 .5418 .6704 -.0658 .0090 |
|
O5 .1086 .1672 .2606 .0095 |
|
O6 .8878 .8261 .7290 .0124 |
|
O7 .3705 .4295 .2227 .0105 |
|
O8 .6216 .5498 .7383 .0115 |
|
O9 .2052 .0727 .0992 .0087 |
|
O10 .7901 -.0801 -.0894 .0087 |
|
O11 .7116 .3650 .0386 .0097 |
|
O12 .2900 .6307 -.0500 .0103 |
|
O13 .2141 .3104 .0800 .0077 |
|
O14 .7961 .6972 -.0649 .0086 |
|
O15 .8319 .4954 .0236 .0094 |
|
O16 .1672 .5105 -.0187 .0093 |
|
O17 .1586 .4513 .2237 .0099 |
|
O18 .8385 .5513 .7784 .0102 |
|
O19 .3968 .2114 .2511 .0102 |
|
O20 .6042 .7944 .7408 .0118 |
|
O21 .4628 .1158 .0223 .0092 |
|
O22 .5403 .8791 -.0266 .0087 |
|
O23 .9252 .2609 .0225 .0092 |
|
O24 .0684 .7458 -.0341 .0104 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganoneptunite |
|
Zolotarev A A, Krivovichev S V, Yakovenchuk V N |
| |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 136 (2007) 118-123 |
|
Refinement of the mangan-neptunite structure |
|
Locality: synthetic |
|
Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364 |
|
_database_code_amcsd 0015717 |
|
16.4821 12.5195 10.0292 90 115.474 90 Cc |
|
atom x y z Uiso |
|
Si1 .14640 .40807 .0626 .0061 |
|
Si2 .85522 .59502 -.0595 .0065 |
|
Si3 .52338 .22472 .0836 .0070 |
|
Si4 .47738 .77184 -.0855 .0062 |
|
Si5 .76903 .47365 .1105 .0065 |
|
Si6 .22894 .52406 .8915 .0065 |
|
Si7 .89388 .15208 .0790 .0069 |
|
Si8 .10519 .85221 -.0834 .0064 |
|
Ti1 .34233 .32364 .10313 .0062 |
|
Ti2 .08716 .05326 .11462 .0064 |
|
Fe1 .66082 .68390 -.09788 .0118 |
|
Fe2 -.08942 -.06065 .88539 .0122 |
|
Na1 .2654 .1974 .3127 .0210 |
|
Na2 .7368 .8012 .6971 .0170 |
|
K -.00131 .42070 .2497 .0234 |
|
Li .5007 .4349 .249 .0150 |
|
O1 .9580 .0530 .0768 .0074 |
|
O2 .0502 -.0437 -.0702 .0078 |
|
O3 .4558 .3229 .0729 .0076 |
|
O4 .5418 .6704 -.0658 .0090 |
|
O5 .1086 .1672 .2606 .0095 |
|
O6 .8878 .8261 .7290 .0124 |
|
O7 .3705 .4295 .2227 .0105 |
|
O8 .6216 .5498 .7383 .0115 |
|
O9 .2052 .0727 .0992 .0087 |
|
O10 .7901 -.0801 -.0894 .0087 |
|
O11 .7116 .3650 .0386 .0097 |
|
O12 .2900 .6307 -.0500 .0103 |
|
O13 .2141 .3104 .0800 .0077 |
|
O14 .7961 .6972 -.0649 .0086 |
|
O15 .8319 .4954 .0236 .0094 |
|
O16 .1672 .5105 -.0187 .0093 |
|
O17 .1586 .4513 .2237 .0099 |
|
O18 .8385 .5513 .7784 .0102 |
|
O19 .3968 .2114 .2511 .0102 |
|
O20 .6042 .7944 .7408 .0118 |
|
O21 .4628 .1158 .0223 .0092 |
|
O22 .5403 .8791 -.0266 .0087 |
|
O23 .9252 .2609 .0225 .0092 |
|
O24 .0684 .7458 -.0341 .0104 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ewaldite |
|
Voloshin A V, Subbotin V V, Yakovenchuk V N, Pakhomovsky Y A, |
|
Men'shikov Y P, Nadezhina T N, Pushcharovsky D Y |
| |
Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 1992 (1992) 56-66 |
|
New data on the ewaldite |
|
_database_code_amcsd 0015721 |
|
5.318 5.318 12.837 90 90 120 P6_3mc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba 1/3 2/3 0 .008250 .008250 .002124 .004125 0 0 |
|
Ca 1/3 2/3 .3045 .007543 .007543 .001062 .003772 0 0 |
|
C 0 0 .427 .007190 .007190 .002124 .003654 0 0 |
|
O1 .139 -.139 .426 .007425 .007425 .005765 .009429 .000423 -.000423 |
|
O2 .292 .081 .665 .19 4.2 |
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O3 .532 .062 .151 .12 2.6 |
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O4 .603 .212 .277 .24 2.0 |
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O5 .231 .466 .703 .07 4.9 |
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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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| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
