|
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 |
|
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 |
|
|
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|
| |
|
Nenadkevichite |
 |
Rastsvetaeva R K, Tamazyan R A, Pushcharovsky D Y, Nadezhina T N |
| |
European Journal of Mineralogy 6 (1994) 503-509 |
|
Crystal structure and microtwinning of K-rich nenadkevichite |
|
Note: Wat4 y-coordinate changed to reproduce reported bond lengths |
|
_database_code_amcsd 0006548 |
|
14.692 14.164 7.859 90 117.87 90 Cm |
|
atom x y z occ Biso |
|
K1 .5001 .8194 .983 .76 3.4 |
|
K2 .432 0 .705 .53 6.8 |
|
K3 .910 0 .648 .44 3.0 |
|
K4 .081 0 .288 .49 3.7 |
|
Na1 .009 0 .468 .58 1.9 |
|
Na2 .796 0 .529 .39 8.8 |
|
Na3 .006 0 .109 .25 13.9 |
|
NbM1 0 .7691 .5 .6 .32 |
|
TiM1 0 .7691 .5 .4 .32 |
|
NbM2 .7434 .7480 .4644 .5 .53 |
|
TiM2 .7434 .7480 .4644 .5 .53 |
|
Si1 .2170 .8920 .7800 1.5 |
|
Si2 .6918 .8916 .736 2.0 |
|
Si3 .8055 .8901 .186 .9 |
|
Si4 .3287 .8914 .230 1.0 |
|
O1 .911 .766 .586 3.2 |
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O2 .925 .873 .308 1.8 |
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O3 .268 .867 .341 1.7 |
|
O4 .274 .823 .702 3.3 |
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O5 .429 .8256 .285 1.4 |
|
O6 .375 0 .280 2.9 |
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O7 .2512 .879 .003 2.0 |
|
O8 .227 0 .730 1.8 |
|
O9 .104 .7682 .372 .6 |
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O10 .092 .870 .665 2.3 |
|
O11 .747 .8652 .601 2.1 |
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O12 .732 .8244 .245 .9 |
|
O13 .591 .826 .672 2.3 |
|
O14 .656 0 .711 1.5 |
|
O15 .771 .872 .956 2.9 |
|
O16 .777 0 .204 1.7 |
|
Wat1 .030 .880 .982 .56 2.7 |
|
Wat2 .564 0 .212 .61 4.2 |
|
Wat3 .299 0 .513 .32 2.6 |
|
Wat4 .036 .827 .025 .37 12.5 |
|
Wat5 .514 0 .891 .36 6.1 |
|
|
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|
| |
|
Shomiokite-(Y) |
|
Rastsvetaeva R K, Pushcharovsky D Y, Pekov I V |
| |
European Journal of Mineralogy 8 (1996) 1249-1255 |
|
Crystal structure of shomiokite-(Y), Na3Y(CO3)3*3H2O |
|
_database_code_amcsd 0006632 |
|
17.358 10.034 5.946 90 90 90 Pna2_1 |
|
atom x y z Uiso |
|
Na1 .4527 .3740 .9146 .0254 |
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Na2 .3623 .1393 .4070 .0292 |
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Na3 .0812 .4840 .4135 .0254 |
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Y .1618 .1781 .6993 .0131 |
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C1 .3999 .4477 .411 .0178 |
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C2 .3058 .1922 .912 .0203 |
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C3 .0786 .3811 .919 .0178 |
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O1 .2465 .2686 .968 .0228 |
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O2 .0459 .4706 .034 .0216 |
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O3 .0690 .2521 .957 .0216 |
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O4 .1254 .4076 .758 .0241 |
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O5 .1672 .0042 .963 .0216 |
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O6 .2969 .1160 .744 .0279 |
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O7 .3686 .1992 .025 .0266 |
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O8 .4224 .3456 .522 .0228 |
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O9 .4376 .4988 .249 .0228 |
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Ow1 .0653 .2200 .411 .0266 |
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Ow2 .2253 .3080 .409 .0368 |
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Ow3 .1927 .0169 .406 .0355 |
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H1 .02 .17 .46 .0380 |
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H2 .06 .22 .26 .0380 |
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H3 .22 .31 .25 .0380 |
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H4 .29 .35 .37 .0380 |
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H5 .18 .04 .21 .0380 |
|
H6 .24 -.02 .42 .0380 |
|
|
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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 |
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Surkhobite: revalidation and redefinition with the new formula, |
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(Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6 |
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Locality: massif Darai-Pioz, Tajikistan |
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_database_code_amcsd 0007261 |
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10.723 13.826 20.791 90 95.00 90 C2 |
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atom x y z occ Uiso |
|
Ba1 0 .0265 0 .75 .0093 |
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KBa1 0 .0265 0 .25 .0093 |
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Ba2 .7508 .7726 .5009 .75 .0199 |
|
KBa2 .7508 .7726 .5009 .25 .0199 |
|
K 0 .5672 0 .55 .0230 |
|
BaK 0 .5672 0 .3 .0230 |
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Na1 0 .5301 .5 .027 |
|
Na2 0 .031 .5 .024 |
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Ca .2508 .7749 .0006 .80 .0161 |
|
NaCa .2508 .7749 .0006 .15 .0161 |
|
SrCa .2508 .7749 .0006 .05 .0161 |
|
Fe1 .8768 .5248 .2557 .0115 |
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Fe2 .1224 .6514 .2478 .0116 |
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Fe3 .8748 .7770 .2439 .0115 |
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Mn,Fe1 .8744 .0250 .2543 .545 .0117 |
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FeMn,Fe1 .8744 .0250 .2543 .455 .0117 |
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Mn,Fe2 .1231 .3986 .2492 .545 .0138 |
|
FeMn,Fe2 .1231 .3986 .2492 .455 .0138 |
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Mn1 .8751 .2733 .2441 .0111 |
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Mn2 .1250 .9017 .2458 .0121 |
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Mn3 .1239 .1502 .2467 .0099 |
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Ti1 .7334 .0437 .3998 .0154 |
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Ti2 .7333 .5446 .3985 .0139 |
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Ti3 .0166 .2554 .1008 .7925 .0077 |
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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 |
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O7 .3842 .4007 .0829 .005 |
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O8 .9669 .6573 .3008 .012 |
|
O9 .2880 .9013 .1994 .010 |
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O10 .9615 .8956 .3040 .019 |
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O11 .3764 .2044 .0843 .006 |
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O12 .7195 .025 .3146 .025 |
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O13 .0295 .7894 .1865 .005 |
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O14 .1519 .7067 .0877 .009 |
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O15 .0275 .2672 .1922 .017 |
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O16 .7205 .523 .3129 .014 |
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O17 .3255 .0210 .1013 .004 |
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O18 .8632 .6393 .4121 .030 |
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O19 .6007 .9525 .4145 .026 |
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O20 .1085 .6500 .4132 .024 |
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O21 .8617 .912 .4136 .044 |
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O22 .3815 .8458 .0877 .013 |
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O23 .8724 .101 .4140 .039 |
|
O24 .1092 .1517 .4108 .019 |
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O25 .6009 .4511 .4135 .022 |
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O26 .1462 .3491 .0851 .008 |
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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 |
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OH1 .0350 .5284 .2092 .015 |
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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 |
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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)
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View JMOL 3-D Structure
|
| |
|
Ershovite |
|
Rastsvetaeva R K, Rekhlova O Y, Khomyakov A P |
| |
Crystallography Reports 36 (1991) 500-503 |
|
Crystal structure of a new natural Na,K,Fe silicate |
|
Locality: Khibiny massif, Kola peninsula, Russia |
|
_database_code_amcsd 0012339 |
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10.244 11.924 5.276 103.491 96.960 91.945 P-1 |
|
atom x y z occ Biso |
|
K1 .5505 .1366 .8268 1.91 |
|
K2 .5 .5 .5 3.04 |
|
Na1 .9705 .8648 .4696 1.86 |
|
Na2 .9955 .7343 .8831 2.30 |
|
Fe2+M .0035 .4252 .7039 .45 1.48 |
|
MnM .0035 .4252 .7039 .35 1.48 |
|
TiM .0035 .4252 .7039 .20 1.48 |
|
Si1 .7348 .2783 .4224 1.16 |
|
Si2 .7163 .6726 .1325 1.16 |
|
Si3 .7343 .4144 .9886 1.12 |
|
Si4 .6835 .8086 .6982 1.22 |
|
O1 .6745 .3528 .6855 1.5 |
|
O2 .8913 .2868 .4723 1.5 |
|
O3 .6489 .7230 .8897 1.7 |
|
O4 .8715 .6898 .1759 1.6 |
|
O5 .8910 .4320 .0192 1.5 |
|
O6 .8293 .8636 .7716 1.8 |
|
O7 .6637 .5360 .0563 1.6 |
|
O8 .6498 .7308 .3928 1.6 |
|
O9 .6812 .3386 .1795 1.4 |
|
O10 .6707 .1491 .3595 1.7 |
|
O11 .5740 .9053 .7290 1.7 |
|
O12 .8924 .5486 .5781 2.1 |
|
O13 .8624 .9923 .2607 2.7 |
|
O14 .8518 .1133 .8154 2.8 |
|
H1 .86 .94 .14 1.2 |
|
H2 .50 .87 .68 2.9 |
|
H3 .81 .04 .26 2.6 |
|
H4 .85 .03 .80 3.4 |
|
H5 .81 .12 .66 2.2 |
|
H6 .83 .55 .52 4.3 |
|
|
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View JMOL 3-D Structure
|
| |
|
Olympite |
|
Rastsvetaeva R K, Khomyakov A P |
| |
Crystallography Reports 39 (1994) 35-41 |
|
A comparative crystal-chemical study of the lithium-sodium phosphates |
|
(lithiophosphate, nalipoite, olympite, and Na3PO4) |
|
Locality: Khibini alkaline massif, Kola Peninsula, Russia |
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Note: O5(y) made negative to match reported bond distances |
|
_database_code_amcsd 0012344 |
|
10.124 14.794 10.132 90 90 90 P2_12_12_1 |
|
atom x y z Biso |
|
Li1 .4971 .3889 .2333 .9 |
|
Li2 .0036 .3897 .7464 1.1 |
|
Na1 .2563 .1444 .0072 1.0 |
|
Na2 .4851 .3633 .7412 1.1 |
|
Na3 .2279 .3864 .4959 1.3 |
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Na4 .2771 .3868 -.0010 1.3 |
|
Na5 .2207 .2474 .7488 1.2 |
|
Na6 .2415 .1442 .5069 1.3 |
|
Na7 .0651 .0003 .0167 1.4 |
|
Na8 .2777 .2489 .2480 2.0 |
|
Na9 .5141 .4982 .4631 2.2 |
|
Na10 .0148 .3638 .2399 1.6 |
|
P1 .5054 .2511 .0013 .68 |
|
P2 -.0059 .2501 .5023 .58 |
|
P3 .2746 .4996 .7476 .61 |
|
P4 .2480 -.0007 .2707 .57 |
|
O1 .1317 .2795 .0703 .7 |
|
O2 .4718 .1558 .4346 1.0 |
|
O3 .4575 .1838 .1073 1.0 |
|
O4 .3932 .2606 .9002 .6 |
|
O5 .4001 -.0011 .2536 .9 |
|
O6 .3751 .4994 .8621 1.1 |
|
O7 .1040 .2612 .3975 1.6 |
|
O8 .1937 .0885 .2108 1.0 |
|
O9 .1917 .4134 .7535 1.1 |
|
O10 .2154 -.0011 .4201 1.0 |
|
O11 .3125 .4150 .2608 1.5 |
|
O12 .3139 .0819 .7039 1.5 |
|
O13 .1486 .5019 .1164 1.3 |
|
O14 .0378 .1608 .9272 1.8 |
|
O15 .0356 .1782 .6038 1.8 |
|
O16 .3696 .2804 .5683 1.6 |
|
|
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|
| |
|
Fluoro-edenite |
| |
Rastsvetaeva R K, Pushcharovsky D Y, Borutskii B E |
| |
Crystallography Reports 40 (1995) 27-30 |
|
Crystal structure of K,F-edenite from Khibini |
|
Locality: Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia |
|
_database_code_amcsd 0012347 |
|
9.911 18.030 5.279 90 104.94 90 C2/m |
|
atom x y z occ Biso |
|
KAm .5 0 0 .2 3.0 |
|
NaAm .5 0 0 .3 3.0 |
|
KA2 .4576 0 .903 .065 2.7 |
|
NaA2 .4576 0 .903 .185 2.7 |
|
CaM4 .5 .222 .5 .72 .95 |
|
SrM4 .5 .222 .5 .005 .95 |
|
NaM4 .5 .222 .5 .275 .95 |
|
MgM1 0 .089 .5 .91 .71 |
|
Fe3+M1 0 .089 .5 .09 .71 |
|
MgM2 0 .1776 0 .515 .68 |
|
Fe2+M2 0 .1776 0 .28 .68 |
|
CaM2 0 .1776 0 .105 .68 |
|
Mn2+M2 0 .1776 0 .02 .68 |
|
Ti4+M2 0 .1776 0 .08 .68 |
|
MgM3 0 0 0 .89 .84 |
|
Fe3+M3 0 0 0 .11 .84 |
|
SiT1 .2797 .0845 .3011 .735 .59 |
|
AlT1 .2797 .0845 .3011 .265 .59 |
|
SiT2 .2883 .1715 .8071 .54 |
|
O1 .1103 .0851 .2197 .70 |
|
O2 .1194 .1702 .7261 .77 |
|
F3 .1038 0 .7143 .98 |
|
O4 .3632 .2488 .7921 .98 |
|
O5 .3474 .1344 .1026 1.12 |
|
O6 .3448 .117 .5997 .99 |
|
O7 .3408 0 .2912 1.12 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Barytolamprophyllite |
|
Rastsvetaeva R K, Dorfman M D |
| |
Crystallography Reports 40 (1995) 951-954 |
|
Crystal structure of Ba-lamprophyllite in the isomorphous lamprophyllite- |
|
baritolamprophyllite series |
|
Locality: Khibiny Massif |
|
_database_code_amcsd 0012348 |
|
19.744 7.099 5.409 90 96.77 90 C2/m |
|
atom x y z occ Biso |
|
SrM1 .2835 0 .2633 .55 1.19 |
|
BaM1 .2835 0 .2633 .45 1.19 |
|
Na 0 0 0 1.50 |
|
NaM2 0 .2613 .5 .9 .95 |
|
MnM2 0 .2613 .5 .1 .95 |
|
Ti1 .1469 0 .7057 .7 .82 |
|
Fe1 .1469 0 .7057 .3 .82 |
|
Ti2 0 .5 0 .7 1.54 |
|
Mg2 0 .5 0 .3 1.54 |
|
Si .1403 .2842 .2020 .70 |
|
OH1 .4429 0 .2673 1.40 |
|
O2 .1715 .1891 .4635 1.04 |
|
O3 .1722 .1881 .9703 1.09 |
|
O4 .1730 .5 .2173 .93 |
|
O5 .0581 .2957 .1696 1.00 |
|
O6 .0622 0 .6702 1.40 |
|
|
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|
| |
|
Deloneite |
| |
Rastsvetaeva R K, Khomyakov A P |
| |
Crystallography Reports 41 (1996) 789-792 |
|
Structural features of a new naturally occurring representative |
|
of the fluorapatite-deloneite series |
|
Locality: Khibini alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012350 |
|
9.485 9.485 7.000 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
CaA1 1/3 2/3 -.0042 .2 .85 |
|
SrA1 1/3 2/3 -.0042 .5 .85 |
|
NaA1 1/3 2/3 -.0042 .3 .85 |
|
CaA2 1/3 2/3 .4987 .90 |
|
CaA3 .0128 .2519 .2496 .7 .69 |
|
SrA3 .0128 .2519 .2496 .2 .69 |
|
CeA3 .0128 .2519 .2496 .1 .69 |
|
P .6305 .0290 .2448 .44 |
|
O1 .324 .254 .420 1.7 |
|
O2 .156 .671 .244 1.3 |
|
O3 .536 .121 .263 1.2 |
|
O4 .355 .263 .068 1.0 |
|
F 0 0 .276 2/3 2.8 |
|
OH 0 0 .276 1/3 2.8 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quintinite |
| |
Arakcheeva A V, Pushcharovsky D Y, Rastsvetaeva R K, Atencio D, Lubman G U |
| |
Crystallography Reports 41 (1996) 972-981 |
|
Crystal structure and comparative crystal chemistry of Al2Mg4(OH)12(CO3)*3H2O, |
|
a new mineral from the hydrotalcite-manasseite group |
|
Note polytype 2H |
|
Locality: synthetic |
|
_database_code_amcsd 0012351 |
|
5.283 5.283 15.150 90 90 120 P-62m |
|
atom x y z occ Biso |
|
Mg 1/3 2/3 .243 1.8 |
|
Al 0 0 .259 2.6 |
|
O1 0 .651 .325 2.9 |
|
C 0 0 .021 .5 6.3 |
|
O2 .318 0 .190 2.7 |
|
O3 .244 0 0 4.3 |
|
Wat .598 0 .5 6.5 |
|
H1 .35 .35 .398 3.0 |
|
H2 0 .36 .125 3.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Chromphyllite |
| |
Evsyunin V G, Kashaev A A, Rastsvetaeva R K |
| |
Crystallography Reports 42 (1997) 571-574 |
|
Crystal structure of a new representative of Cr micas |
|
Locality: Slyudyanka, Irkutsk, Russia |
|
_database_code_amcsd 0012352 |
|
5.240 9.103 19.93 90 95.59 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0947 .25 .82 1.54 .0132 .0040 .0010 0 .0003 0 |
|
Ba 0 .0947 .25 .14 1.54 .0132 .0040 .0010 0 .0003 0 |
|
Na 0 .0947 .25 .04 1.54 .0132 .0040 .0010 0 .0003 0 |
|
CrM2 .2495 .0833 .0000 .71 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
AlM2 .2495 .0833 .0000 .14 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
MgM2 .2495 .0833 .0000 .09 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
VM2 .2495 .0833 .0000 .06 1.16 .0096 .0027 .0009 .0000 .0005 .0001 |
|
SiT1 .4643 .9272 .1369 .75 .61 .0045 .0010 .0006 .0000 .0001 .0002 |
|
AlT1 .4643 .9272 .1369 .25 .61 .0045 .0010 .0006 .0000 .0001 .0002 |
|
SiT2 .4543 .2569 .1369 .75 .62 .0045 .0010 .0006 .0000 .0001 .0002 |
|
AlT2 .4543 .2569 .1369 .25 .62 .0045 .0010 .0006 .0000 .0001 .0002 |
|
O1 .4374 .0921 .1697 1.2 .0151 .0020 .0008 -.0003 .0010 .0011 |
|
O2 .2405 .3588 .1701 1.2 .0107 .0039 .0006 -.0003 .0004 .0033 |
|
O3 .2405 .8213 .1623 1.3 .0100 .0045 .0008 .0013 -.0004 -.0041 |
|
O4 .4544 .9361 .0547 .9 .0063 .0024 .0006 .0001 .0000 -.0001 |
|
O5 .3983 .2513 .0544 .7 .0076 .0016 .0005 .0002 -.0004 -.0003 |
|
O6 .4521 .5677 .0524 .85 1.0 .0099 .0025 .0006 -.0004 .0007 .0012 |
|
F6 .4521 .5677 .0524 .15 1.0 .0099 .0025 .0006 -.0004 .0007 .0012 |
|
H .082 0 .456 .85 |
|
|
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|
| |
|
Pyromorphite |
|
Barinova A V, Bonin M, Pushcharovsky D Y, Rastsvetaeva R K, Schenk K, |
|
Dimitrova O V |
| |
Crystallography Reports 43 (1998) 189-192 |
|
Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH) |
|
Locality: synthetic |
|
Note: y(O3) corrected |
|
_database_code_amcsd 0012355 |
|
9.774 9.774 7.291 90 90 120 P6_3/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 1/3 2/3 .4973 .95 .0038 .0038 .0029 .0019 0 0 |
|
Pb2 .2364 .2319 .25 1.37 .0029 .0034 .0112 .0038 0 0 |
|
P .4045 .0231 .25 .4 .0015 .0007 .0021 .0009 0 0 |
|
O1 .3256 .8415 .25 .5 .0028 .0017 .0005 .0018 0 0 |
|
O2 .5860 .1005 .25 1.1 .0017 .0042 .0073 .0025 0 0 |
|
O3 .3541 .0813 .08132 1.2 .0045 .0031 .0059 .0038 -.0068 -.0016 |
|
OH 0 0 0 4.3 .0058 .0058 .0446 .0029 0 0 |
|
|
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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 |
|
|
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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 |
|
|
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|
| |
|
Kentbrooksite |
| |
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
| |
Crystallography Reports 44 (1999) 765-769 |
|
Crystal structure of a novel analog of eudialyte with R3 symmetry |
|
Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012363 |
|
14.182 14.182 30.37 90 90 120 R3 |
|
atom x y z occ Biso |
|
Na1a .190 .615 .1527 .5 7.8 |
|
Na1b .182 .569 .1550 .5 5.8 |
|
Ca1 .2448 .2447 .0001 .7 1.77 |
|
Ce1 .2448 .2447 .0001 .15 1.77 |
|
La1 .2448 .2447 .0001 .09 1.77 |
|
Nd1 .2448 .2447 .0001 .06 1.77 |
|
Mn -.0006 .2718 .0001 1.82 |
|
MnM2 .1833 .3551 .3314 .2 1.82 |
|
FeM2 .1833 .3551 .3314 .05 1.82 |
|
Zr2 .0379 .5259 .0029 .133 2.4 |
|
Hf2 .0379 .5259 .0029 .017 2.4 |
|
Nb 1/3 2/3 .2904 .4 2.21 |
|
Na2a .1175 .2234 .1534 .397 3.5 |
|
Ce2a .1175 .2234 .1534 .043 3.5 |
|
La2a .1175 .2234 .1534 .024 3.5 |
|
Nd2a .1175 .2234 .1534 .016 3.5 |
|
Na2b .077 .162 .1700 .52 7.2 |
|
Sr .2396 .1126 .2776 .1 3.9 |
|
Na3 .1966 .0950 .2890 .9 2.9 |
|
Na4 .446 .550 .0036 .6 6.2 |
|
Na5a .4388 .2142 .0534 .5 2.9 |
|
Na5b .4760 .2355 .0423 .45 2.6 |
|
Sr5b .4760 .2355 .0423 .05 2.6 |
|
Na6 .5612 .1117 .1804 .967 3.7 |
|
K6 .5612 .1117 .1804 .033 3.7 |
|
Zr1 .3335 .1589 .1666 .967 1.85 |
|
Ti1 .3335 .1589 .1666 .033 1.85 |
|
SiT1a 1/3 2/3 .0444 .51 .8 |
|
SiT1b 1/3 2/3 .0902 .49 2.2 |
|
SiT2 1/3 2/3 .2492 .6 5.4 |
|
Si1 -.0107 .6076 .0975 1.56 |
|
Si1' -.0065 .3953 .0966 1.52 |
|
Si2 .1397 .0588 .0809 1.74 |
|
Si3 .0612 .3272 .2372 1.46 |
|
Si3' .2753 .3225 .2366 1.42 |
|
Si4 .2083 .4156 .0767 1.82 |
|
Si5 .5257 .2518 .2532 1.70 |
|
Si6 .4574 .5405 .2574 1.78 |
|
O1 .1763 .3597 .0302 2.3 |
|
O2 .1828 .3533 .2210 2.3 |
|
O3 .6261 .5909 .0455 3.2 |
|
O3' .6403 .0401 .0461 2.2 |
|
O4 .2555 .0231 .2055 2.6 |
|
O4' .2594 .2256 .2060 3.3 |
|
O5 .4752 .2280 .2042 4.3 |
|
O6 .2245 .0964 .0423 3.2 |
|
O7 .1935 .0863 .1293 2.8 |
|
O8 .1072 .3909 .1079 3.5 |
|
O8' .2721 .3706 .1085 2.1 |
|
O9 .4412 .2044 .2924 2.8 |
|
O10 .6147 .2126 .2562 3.0 |
|
O11 .0709 .1237 .0771 3.2 |
|
O12 .0554 .4370 .2273 3.1 |
|
O12' .3910 .4284 .2269 2.1 |
|
O13 .0292 .5111 .3049 2.3 |
|
O14 .4075 .2981 .1289 3.2 |
|
O14' .4120 .1029 .1285 2.5 |
|
O15 .0441 .2991 .2883 2.3 |
|
O15' .2642 .2924 .2885 1.9 |
|
O16 .0200 .5170 .1119 2.3 |
|
O17 .2833 .5474 .0708 5.9 |
|
O18a .205 .607 .2471 .45 4.0 |
|
O18b .377 .593 .2622 .55 3.4 |
|
OH1 0 0 .330 .51 4.3 |
|
OH2 1/3 2/3 .1440 .55 2.8 |
|
OH3 1/3 2/3 .196 .53 7.7 |
|
OH4 .605 .400 -.0058 .44 4.4 |
|
OH5 .411 .606 .002 .15 6. |
|
F 2/3 1/3 .0424 .5 2.7 |
|
Cl 2/3 1/3 .0424 .3 2.7 |
|
Wat3a 2/3 1/3 .110 .58 6.1 |
|
Wat3b 2/3 1/3 .150 .42 7.9 |
|
Wat1a 0 0 .248 .43 8.2 |
|
Wat1b 0 0 .289 .32 3.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na18Mn3Ca3Zr3Si26O76*H2O |
| |
Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
| |
Crystallography Reports 44 (1999) 824-828 |
|
Crystal structure of a novel analog of eudialyte with R3 symmetry |
|
Locality: Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012364 |
|
14.182 14.182 30.37 90 90 120 R3 |
|
atom x y z occ Biso |
|
Na1a .190 .6150 .1527 .5 7.8 |
|
Na1b .182 .5690 .1550 .5 5.8 |
|
CaM1' .2448 .2447 .0001 .7 1.77 |
|
CeM1' .2448 .2447 .0001 .14 1.77 |
|
LaM1' .2448 .2447 .0001 .08 1.77 |
|
NdM1' .2448 .2447 .0001 .05 1.77 |
|
YM1' .2448 .2447 .0001 .03 1.77 |
|
Mn1 -.0006 .2718 .0001 1.82 |
|
Zr1 .3335 .1589 .1666 .967 1.85 |
|
Ti1 .3335 .1589 .1666 .033 1.85 |
|
Si1 -.0107 .6076 .0975 1.56 |
|
Si1' -.0065 .3953 .0966 1.52 |
|
Si2 .1397 .0588 .0809 1.74 |
|
Si3 .0612 .3272 .2372 1.46 |
|
Si3' .2753 .3225 .2366 1.42 |
|
Si4 .2083 .4156 .0767 1.82 |
|
Si5 .5257 .2518 .2532 1.70 |
|
Si6 .4574 .5405 .2574 1.78 |
|
O1 .1763 .3597 .0302 2.3 |
|
O2 .1828 .3533 .2210 2.3 |
|
O3 .6261 .5909 .0455 3.2 |
|
O3' .6403 .0401 .0461 2.2 |
|
O4 .2555 .0231 .2055 2.6 |
|
O4' .2594 .2256 .2060 3.3 |
|
O5 .4752 .2280 .2042 4.3 |
|
O6 .2245 .0964 .0423 3.2 |
|
O7 .1935 .0863 .1293 2.8 |
|
O8 .1072 .3909 .1079 3.5 |
|
O8' .2721 .3706 .1085 2.1 |
|
O9 .4412 .2044 .2924 2.8 |
|
O10 .6147 .2126 .2562 3.0 |
|
O11 .0709 .1237 .0771 3.2 |
|
O12 .0554 .4370 .2273 3.1 |
|
O12' .3910 .4284 .2269 2.1 |
|
O13 .0292 .5111 .3049 2.3 |
|
O14 .4075 .2981 .1289 3.2 |
|
O14' .4120 .1029 .1285 2.5 |
|
O15 .0441 .2991 .2883 2.3 |
|
O15' .2642 .2924 .2885 1.9 |
|
O16 .0200 .5170 .1119 2.3 |
|
O17 .2833 .5474 .0708 5.9 |
|
O18a .205 .607 .2471 .45 4.0 |
|
O18b .377 .593 .2622 .55 3.4 |
|
SiT1a 1/3 2/3 .0444 .51 .8 |
|
SiT1a 1/3 2/3 .0902 .49 2.2 |
|
SiT2 1/3 2/3 .2492 .6 5.4 |
|
Nb 1/3 2/3 .2904 .4 2.21 |
|
MnM2 .1833 .3551 .3314 .2 1.82 |
|
FeM2 .1833 .3551 .3314 .05 1.82 |
|
Zr2 .0379 .5259 .0029 .133 2.4 |
|
Hf2 .0379 .5259 .0029 .017 2.4 |
|
Na2a .1175 .2234 .1534 .397 3.5 |
|
Ce2a .1175 .2234 .1534 .04 3.5 |
|
La2a .1175 .2234 .1534 .024 3.5 |
|
Nd2a .1175 .2234 .1534 .016 3.5 |
|
Y2a .1175 .2234 .1534 .003 3.5 |
|
Na2b .077 .1620 .1700 .52 7.2 |
|
Sr .2396 .1126 .2776 .1 3.9 |
|
Na3 .1966 .0950 .2890 .9 2.9 |
|
Na4 .4460 .5500 .0036 .6 6.2 |
|
Na5a .4388 .2142 .0534 .5 2.9 |
|
Na5b .4760 .2355 .0423 .45 2.6 |
|
Sr5b .4760 .2355 .0423 .05 2.6 |
|
Na6 .5612 .1117 .1804 .967 3.7 |
|
K6 .5612 .1117 .1804 .033 3.7 |
|
OH1 0 0 .3300 .51 4.3 |
|
OH2 1/3 2/3 .1440 .55 2.8 |
|
OH3 1/3 2/3 .1960 .53 7.7 |
|
OH4 .6050 .4000 -.0058 .44 4.4 |
|
OH5 .4110 .6060 .0020 .15 6. |
|
Wat1a 0 0 .2480 .43 8.2 |
|
Wat1b 0 0 .2890 .32 3.9 |
|
F1 2/3 1/3 .0424 .28 2.7 |
|
Cl 2/3 1/3 .0424 .17 2.7 |
|
Wat3a 2/3 1/3 .1100 .58 6.1 |
|
Wat3b 2/3 1/3 .1500 .42 7.9 |
|
|
| Download AMC data (View Text File)
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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)
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View JMOL 3-D Structure
|
| |
|
Fersmite |
|
Gurbanova O A, Rastsvetaeva R K, Kashaev A A, Smolin A S |
| |
Crystallography Reports 46 (2001) 194-195 |
|
Refined crystal structure of TR-fersmite (TR = Ce) |
|
Locality: Ust'-Biran deposit |
|
_database_code_amcsd 0012371 |
|
5.762 14.988 5.246 90 90 90 Pcan |
|
atom x y z occ Biso |
|
CaA .2260 .5 .25 .89 .96 |
|
CeA .2260 .5 .25 .11 .96 |
|
NbB .1827 .1662 .2999 .65 .82 |
|
TiB .1827 .1662 .2999 .35 .82 |
|
O1 .3995 .0886 .4040 1.46 |
|
O2 .4298 .4013 .5110 1.49 |
|
O3 .3650 .2576 .1285 1.30 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Labyrinthite |
| |
Rastsvetaeva R K, Khomyakov A P |
| |
Crystallography Reports 46 (2001) 752-757 |
|
Modular structure of a sodium-rich analogue of eudialyte with |
|
the doubled c-parameter and the R3 symmetry |
|
Locality: Eveslogchorr mountain |
|
_database_code_amcsd 0012372 |
|
14.239 14.239 60.733 90 90 120 R3 |
|
atom x y z occ Biso |
|
Zr1 .1659 .3321 .0829 1.35 |
|
Zr2 -.0012 .4992 .2481 1.29 |
|
Ca1 .0727 .6678 .1658 1.08 |
|
Ca1' .5945 .6679 .1658 .99 |
|
Ca2 -.0004 .2620 -.0009 .89 |
|
Ca2' .2615 .2620 -.0008 .96 |
|
Si1 .3248 .0551 .1182 1.29 |
|
Si1' .3263 .2685 .1178 1.15 |
|
Si2 .2496 .1253 .2948 1.13 |
|
Si3 .0641 .3419 .2841 1 |
|
Si3' .2766 .3401 .2839 1.96 |
|
Si4 .5979 .4037 .2910 .96 |
|
Si5 .0710 .1428 .0408 .98 |
|
Si6 .4044 .5962 .2068 .93 |
|
Si7 .5418 .4589 .1281 1.82 |
|
Si8 .2625 .5261 .1252 1.10 |
|
Si9 .0054 .6088 .0486 1.15 |
|
Si9' .0070 .3970 .0484 1.25 |
|
Si10 .1243 .2485 .2038 1.61 |
|
Si11 .4173 .2091 .0369 1.18 |
|
Si12 .3398 .0636 .2141 1.24 |
|
Si12' .3384 .2736 .2145 1.07 |
|
Si13 0 0 .1938 2.1 |
|
Si14 0 0 .2888 1.4 |
|
Si15 2/3 1/3 .0441 1.6 |
|
Si16 2/3 1/3 .1346 .20 6.8 |
|
O1 .3551 .1766 .1089 2.1 |
|
O2 .3083 .1521 .3182 1.8 |
|
O3 .5157 .0326 .1518 1.2 |
|
O4 .3856 .2808 .0534 .8 |
|
O4' .3875 .1063 .0534 3.2 |
|
O5 .0729 .3691 .3089 1.7 |
|
O5' .2917 .3688 .3092 .8 |
|
O6 .0300 .2585 .1038 2.2 |
|
O6' .2257 .2542 .1039 2.5 |
|
O7 .3111 .1549 .2231 2.2 |
|
O8 .1008 .4032 .0632 2 |
|
O8' .3028 .4070 .0636 2 |
|
O9 .0566 .1175 .2051 4 |
|
O10 .5687 .1407 .2664 2.1 |
|
O11 .2344 .4731 .1013 2.6 |
|
O12 .2986 .2515 .1438 .6 |
|
O12' .3007 .0467 .1437 1.8 |
|
O13 .5523 .4493 .3103 1.2 |
|
O14 .2715 .5439 .2054 1.9 |
|
O15 .0353 .6268 .0224 1.4 |
|
O15' .0351 .4037 .0229 2.2 |
|
O16 .3666 .2871 .1883 1.2 |
|
O16' .3634 .0765 .1884 2.4 |
|
O17 .1232 .0606 .0395 1.2 |
|
O18 .5423 .2692 .2935 1.9 |
|
O19 .0572 .2937 .2189 2.2 |
|
O19' .2332 .2871 .2188 .8 |
|
O20 .5067 .0190 .0564 1.6 |
|
O21 .3965 .6061 .1273 1.5 |
|
O22 .0924 .1875 .0654 1.6 |
|
O23 .0684 .6341 .2683 1.6 |
|
O23' .5677 .6324 .2682 1.3 |
|
O24 .1558 .3178 .2739 1.7 |
|
O25 .4381 .3640 .2288 2.9 |
|
O25' .4358 .0712 .2287 2.3 |
|
O26 .5468 .2715 .0333 3.9 |
|
O27 .1135 .2300 .0218 2 |
|
O28 .2201 .4411 .1445 1.5 |
|
O29 .1031 .5511 .1874 2.3 |
|
O30 .2792 .2278 .2788 .8 |
|
O30' .2766 .0498 .2788 3.8 |
|
O31 .6037 .2118 .1253 3.6 |
|
O32 .4354 .3849 .1127 2.6 |
|
O32' .6122 .5684 .1126 5.2 |
|
O33 .1199 .0576 .2996 4 |
|
O34 .1504 .3031 .1804 2.3 |
|
O35 .4303 .5732 .2313 2.2 |
|
O36 .3601 .1765 .0144 1.5 |
|
OH1 0 0 .2631 2.1 |
|
OH2 2/3 1/3 .0711 2.7 |
|
OH4 .556 .281 .1639 .50 4.7 |
|
OH5 2/3 1/3 .159 .20 7.8 |
|
OH7 0 0 .1681 5.2 |
|
Wat1 1/3 2/3 .2628 7.2 |
|
Wat3 1/3 2/3 .076 .66 9 |
|
Wat4 2/3 1/3 .2090 .32 4 |
|
Wat5 0 0 .1198 .86 3.1 |
|
Ti 2/3 1/3 .1421 .52 3.3 |
|
Fe .3253 .1613 .1663 .73 2.31 |
|
Mn .3839 .1918 .1644 .27 2 |
|
Na1 .0971 .5479 .3033 2.5 |
|
Na2 .2205 .1110 .0760 2.4 |
|
Na3 .2143 .4300 .0281 2.6 |
|
Na4a .4391 .5604 .0889 .35 2.8 |
|
Na4b .1687 .5859 .0817 .65 6.1 |
|
Na5 .5659 .4352 .1903 2.5 |
|
Na6 .2202 .4413 .2425 2.9 |
|
Na7 .4911 .2451 .2497 3.9 |
|
Na8a .096 .166 .2486 .29 7.8 |
|
Na8b .156 .127 .2470 .49 7.1 |
|
Na8b' .154 .035 .2449 .22 6.9 |
|
Na9a .5032 .2563 .0861 .80 5.2 |
|
Na9b .521 .331 .0831 .20 4.9 |
|
Na10a .0926 .1835 .1439 .63 2.4 |
|
Na10b .1054 .2143 .1405 .37 3.3 |
|
Na11 -.007 .494 .0025 .41 2.7 |
|
Na12 .5604 .4390 .0018 .57 2.1 |
|
Na13 .1147 .5585 -.0031 .53 2 |
|
Cl1 1/3 2/3 .3118 3.7 |
|
Cl3a 1/3 2/3 .0200 .90 3.5 |
|
Cl3b 1/3 2/3 .046 .10 3 |
|
Cl 2/3 1/3 .2164 .68 2.2 |
|
F 2/3 1/3 .2164 .68 2.2 |
|
K1 .5659 .4352 .1903 .211 2.5 |
|
K2 .0926 .1835 .1439 .273 2.4 |
|
Ce1 .5604 .4390 .0018 .017 2.1 |
|
Ce2 .1147 .5585 -.0031 .017 2 |
|
Sr1 .2615 .2620 -.0008 .05 .96 |
|
Sr2 .4391 .5604 .0889 .089 2.8 |
|
Sr3 .1054 .2143 .1405 .067 3.3 |
|
Sr4 .5604 .4390 .0018 .017 2.1 |
|
Sr5 .1147 .5585 -.0031 .022 2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bussenite |
| |
Zhou H, Rastsvetaeva R K, Khomyakov A P, Ma Z, Shi N |
| |
Crystallography Reports 47 (2002) 43-46 |
|
Crystal structure of new micalike titanosilicate - bussenite, |
|
Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012376 |
|
5.399 7.016 16.254 102.44 93.18 90.10 P-1 |
|
atom x y z occ Biso |
|
Na1 .733 .243 .9527 .5 3.1 |
|
Na2 .251 .289 .0461 .5 2.4 |
|
K1 .2234 .4246 .8493 .2 1.80 |
|
Ba1 .2234 .4246 .8493 .8 1.80 |
|
Ba2 .2933 .1222 .2449 .47 1.56 |
|
NaM1 .0073 .2513 .5030 .5 .65 |
|
MnM1 .0073 .2513 .5030 .275 .65 |
|
FeM1 .0073 .2513 .5030 .225 .65 |
|
FeM2 .5 0 .5 .5 .75 |
|
NaM2 .5 0 .5 .4 .75 |
|
MnM2 .5 0 .5 .1 .75 |
|
NaM3 .5 .5 .5 .5 .53 |
|
FeM3 .5 .5 .5 .4 .53 |
|
MnM3 .5 .5 .5 .1 .53 |
|
SrM4 .2789 .0938 .1870 .32 2.50 |
|
CaM4 .2789 .0938 .1870 .21 2.50 |
|
Ti .6951 .3449 .6897 .95 .87 |
|
Nb .6951 .3449 .6897 .05 .87 |
|
Si1 .1911 .0583 .6684 .76 |
|
Si2 .8083 .3887 .3315 .81 |
|
C .758 .052 .106 4.6 |
|
O1 .957 .165 .7119 1.0 |
|
O2 .045 .451 .2870 1.4 |
|
O3 .555 .450 .2863 1.4 |
|
O4 .449 .162 .7134 1.7 |
|
O5 .800 .150 .3044 2.0 |
|
O6 .180 .032 .5690 2.2 |
|
O7 .822 .460 .4302 2.5 |
|
O8 .677 .292 .5809 1.7 |
|
O9 .154 .097 .902 9.6 |
|
O10 .889 .213 .106 7.9 |
|
O11 .555 .138 .095 9.4 |
|
OH .338 .215 .4314 1.8 |
|
Wat .719 .417 .8360 2.7 |
|
F1 .5 .5 0 3.7 |
|
F2 0 .5 0 5.7 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A, |
|
Chapuis G |
| |
Crystallography Reports 47 (2002) 404-407 |
|
Average structure of cubic lazurite with a three-dimensional incommensurate |
|
modulation |
|
Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia |
|
_database_code_amcsd 0012380 |
|
9.077 9.077 9.077 90 90 90 P23 |
|
atom x y z occ Biso |
|
Na1 .2585 .2585 .2585 .44 4.4 |
|
Na2 .2019 .2019 .2019 .24 3.1 |
|
Na3 .3253 .3253 .3253 .32 5.7 |
|
Na4 .6872 .6872 .6872 .37 6.6 |
|
NaM .7547 .7547 .7547 .216 5.1 |
|
CaM .7547 .7547 .7547 .144 5.1 |
|
Ca .8150 .8150 .8150 .27 5.0 |
|
Si1 .5 .2499 0 .5 3.2 |
|
Al1 .5 .2499 0 .5 3.2 |
|
Si2 .5 0 .2499 .5 3.6 |
|
Al2 .5 0 .2499 .5 3.6 |
|
S1 0 0 0 .51 9.3 |
|
S2 .5 .5 .5 .37 8.1 |
|
OS1 .8996 .8996 .8996 .51 11.4 |
|
OS2 .3930 .3930 .3930 .37 10.4 |
|
S3 .1522 .5 .5 .056 19.3 |
|
Cl3 .1522 .5 .5 .004 19.3 |
|
S4 .2589 0 0 .066 8.7 |
|
Cl4 .2589 0 0 .004 8.7 |
|
S5 .2683 .5 .5 .026 10.3 |
|
Cl5 .2683 .5 .5 .004 10.3 |
|
S6 .1471 0 0 .046 11.6 |
|
Cl6 .1471 0 0 .004 11.6 |
|
O1 .3509 .3512 .0163 7.8 |
|
O2' .1466 .1464 .5355 .68 4.3 |
|
O2" .1508 .1521 .4502 .32 3.2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Uranophane-beta |
|
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Verin I A |
| |
Crystallography Reports 48 (2003) 12-15 |
|
Crystal structure of beta-uranophane from the Transbaikal region |
|
and its relation to the structure of the a modification |
|
Locality: Streltsovkii ore field, Transbaikal region, Russia |
|
_database_code_amcsd 0018695 |
|
13.947 15.465 6.626 90 91.300 90 P2_1/a |
|
atom x y z Biso |
|
Ca .1902 .4856 .2826 1.30 |
|
U(1) .0192 .2601 .2627 1.09 |
|
U(2) .2315 .7395 .4708 .96 |
|
Si(1) .0187 .2230 .7297 .73 |
|
Si(2) .2670 .1945 .0636 .56 |
|
O(1) .2652 .3523 .4927 1.00 |
|
O(2) .9920 .1491 .2347 1.62 |
|
O(3) .7321 .8741 .4401 .90 |
|
O(4) .0441 .3724 .2893 1.7 |
|
O(5) .1794 .2234 .2114 .98 |
|
O(6) .8923 .7639 .4197 1.37 |
|
O(7) .3579 .2045 .2200 1.23 |
|
O(8) .5684 .7492 .4260 1.30 |
|
O(9) .9795 .7189 .0718 1.12 |
|
O(10) .7271 .7468 .1343 .99 |
|
OH(1) .9857 .8807 .2099 1.7 |
|
OH(2) .7414 .9074 .0016 1.9 |
|
Wat(1) .5426 .9459 .1656 2.3 |
|
Wat(2) .3609 .4906 .3296 3.1 |
|
Wat(3) .8044 .5927 .0255 2.5 |
|
Wat(4) .8770 .4992 .3770 2.2 |
|
Wat(5) .1303 .0064 .2371 3.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Uranophane-beta |
|
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Verin I A |
| |
Crystallography Reports 48 (2003) 12-15 |
|
Crystal structure of beta-uranophane from the Transbaikal region and |
|
its relation to the structure of the alpha modification |
|
Locality: Transbaikal region, Russia |
|
_database_code_amcsd 0018734 |
|
13.947 15.465 6.626 90 91.399 90 P2_1/a |
|
atom x y z Biso |
|
Ca .1902 .4856 .2826 1.30 |
|
U1 .0192 .2601 .2627 1.09 |
|
U2 .2315 .7395 .4708 .96 |
|
Si1 .0187 .2230 .7297 .73 |
|
Si2 .2670 .1945 .0636 .56 |
|
O1 .2652 .3523 .4927 1.00 |
|
O2 .9920 .1491 .2347 1.62 |
|
O3 .7321 .8741 .4401 .90 |
|
O4 .0441 .3724 .2893 1.7 |
|
O5 .1794 .2234 .2114 .98 |
|
O6 .8923 .7639 .4197 1.37 |
|
O7 .3579 .2045 .2200 1.23 |
|
O8 .5684 .7492 .4260 1.30 |
|
O9 .9795 .7189 .0718 1.12 |
|
O10 .7271 .7468 .1343 .99 |
|
OH1 .9857 .8807 .2099 1.7 |
|
OH2 .7414 .9074 .0016 1.9 |
|
Wat1 .5426 .9459 .1656 2.3 |
|
Wat2 .3609 .4906 .3296 3.1 |
|
Wat3 .8044 .5927 .0255 2.5 |
|
Wat4 .8770 .4992 .3770 2.2 |
|
Wat5 .1303 .0064 .2371 3.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Surkhobite |
| |
Rozenberg K A, Rastsvetaeva R K, Verin I A |
| |
Crystallography Reports 48 (2003) 384-389 |
|
Crystal structure of surkhobite - new mineral from |
|
the family of titanosilicate micas |
|
Locality: Darai-Piez alkali massif, central Tajikistan |
|
_database_code_amcsd 0012384 |
|
10.723 13.826 20.791 90 95.00 90 C2 |
|
atom x y z occ Uiso |
|
Na1 0 .523 .5 .8 .034 |
|
Ca1 0 .523 .5 .2 .034 |
|
Na2 0 .023 .5 .8 .031 |
|
Ca2 0 .023 .5 .2 .031 |
|
Ca .2503 .776 -.0006 .0254 |
|
K 0 .5658 0 .7 .0384 |
|
Ba 0 .5658 0 .3 .0384 |
|
Ba1 0 .0265 0 .0146 |
|
Ba2 .7501 .7725 .5005 .0360 |
|
Mn1 .8742 .0244 .2544 .0133 |
|
Mn2 .8769 .5248 .2559 .0132 |
|
Mn3 .1225 .4000 .2503 .7 .0148 |
|
Na3 .1225 .4000 .2503 .3 .0148 |
|
Mn4 .1229 .6512 .2497 .0148 |
|
Fe1 .8751 .2737 .2442 .0119 |
|
Fe2 .8745 .7771 .2444 .0120 |
|
Fe3 .1249 .9043 .2471 .0162 |
|
Fe4 .1238 .1512 .2478 .0116 |
|
Ti1 .7333 .0427 .3997 .0284 |
|
Ti2 .7330 .5446 .3981 .0216 |
|
Ti3 .0167 .2570 .1009 .6 .0162 |
|
Zr3 .0167 .2570 .1009 .4 .0162 |
|
Ti4 .0160 .7960 .1005 .6 .0175 |
|
Nb4 .0160 .7960 .1005 .4 .0175 |
|
Si1 .9793 .1647 .3806 .0118 |
|
Si2 .9810 .6660 .3802 .0134 |
|
Si3 .2574 .4187 .1195 .0115 |
|
Si4 .2852 .9181 .1195 .0097 |
|
Si5 .2819 .1350 .1199 .0128 |
|
Si6 .2553 .6349 .1188 .0120 |
|
Si7 .9796 .3838 .3810 .0144 |
|
Si8 .9793 .8849 .3797 .0160 |
|
O1 .9693 .3924 .3062 .024 |
|
O2 .2789 .4054 .1981 .013 |
|
O3 .9631 .1543 .3042 .016 |
|
O4 .2780 .6487 .1977 .013 |
|
O5 .2888 .1495 .1988 .013 |
|
O6 .1404 .9009 .0868 .005 |
|
O7 .3887 .4006 .0843 .006 |
|
O8 .9638 .6565 .3025 .013 |
|
O9 .2887 .9044 .1979 .013 |
|
O10 .9622 .8972 .3035 .017 |
|
O11 .3786 .2045 .0842 .008 |
|
O12 .7193 .026 .3143 .030 |
|
O13 .0290 .7885 .1870 .014 |
|
O14 .1492 .7043 .0867 .009 |
|
O15 .0271 .2629 .1892 .015 |
|
O16 .7204 .522 .3127 .030 |
|
O17 .3248 .0214 .1016 .005 |
|
O18 .862 .643 .4122 .048 |
|
O19 .6036 .946 .4124 .054 |
|
O20 .1068 .646 .4156 .057 |
|
O21 .8639 .913 .4142 .065 |
|
O22 .3776 .8466 .0878 .011 |
|
O23 .870 .112 .4163 .087 |
|
O24 .1081 .146 .4137 .048 |
|
O25 .6027 .447 .4116 .048 |
|
O26 .1507 .3449 .0860 .013 |
|
O27 .1390 .1482 .08 .013 |
|
O28 .8715 .441 .4121 .062 |
|
O29 .2092 .5253 .0995 .011 |
|
O30 .0408 .275 .3971 .061 |
|
O31 .0416 .774 .4032 .060 |
|
O32 .3867 .6480 .0894 .013 |
|
OH1 .0381 .524 .2076 .023 |
|
OH2 0 .2462 0 .014 |
|
OH3 0 .8019 0 .0076 |
|
F1 .0349 .023 .2052 .036 |
|
F2 .213 .7778 .2947 .032 |
|
F3 .7499 .0086 .5008 .025 |
|
F4 .7102 .7751 .2921 .019 |
|
|
| Download AMC data (View Text File)
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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)
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View JMOL 3-D Structure
|
| |
|
Golyshevite |
| |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A |
| |
Crystallography Reports 50 (2005) 539-543 |
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Crystal structure of golyshevite |
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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 |
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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 |
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Na5 .191 .595 .152 .32 .043 |
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Zr .3324 .1662 .1668 .0180 |
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Ca .0010 .2608 .0001 .983 .0119 |
|
Ce .0010 .2608 .0001 .017 .0119 |
|
Fe1 .5195 .4805 -.0021 .56 .0166 |
|
Fe2 .0492 .5246 .0033 .17 .0137 |
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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 |
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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 |
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O14 .3889 .4302 .2277 .028 |
|
O15 .3937 .6063 .2535 .034 |
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O16 .0628 .1256 .0771 .026 |
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O17 .1912 .0956 .1302 .028 |
|
O18 .2250 .1125 .0428 .021 |
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C1 2/3 1/3 .108 .55 .026 |
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C2 2/3 1/3 .083 .45 .022 |
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Oc1 .612 .388 .108 .55 .053 |
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Oc2 .6141 .3859 .0869 .45 .067 |
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OH1 .265 .530 .324 .33 .030 |
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OH2 .212 .606 .002 .39 .029 |
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OH3 1/3 2/3 .145 .16 .064 |
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OH4 1/3 2/3 .192 .50 .065 |
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Cl 0 0 .2412 .29 .028 |
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Wat1 0 0 .263 .24 .034 |
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Wat2 0 0 .293 .23 .029 |
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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
|
| |
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Rondorfite |
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Rastsvetaeva R K, Zadov A E, Chukanov N V |
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Crystallography Reports 53 (2008) 199-205 |
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Crystal structure of low-symmetry rondorfite |
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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 |
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atom x y z Biso |
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Ca1 .2454 .9948 .4940 .71 |
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Ca2 .7481 .9911 -.0062 1.83 |
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Ca3 .2399 .4954 -.0029 2.06 |
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Ca4 .7380 .4943 .4962 1.91 |
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Ca5 -.0052 .7457 -.0083 .53 |
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Ca6 -.0052 .4915 .2441 .54 |
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Ca7 .4984 .2403 -.0033 1.81 |
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Ca8 .4953 .7391 .4969 2.08 |
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Ca9 -.0037 .2390 .4969 2.18 |
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Ca10 .4956 .4932 .7406 2.42 |
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Ca11 .4965 .9947 .2419 2.15 |
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Ca12 -.0046 .9976 .7400 1.91 |
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Ca13 .2439 .2432 .7423 .92 |
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Ca14 .7438 .7433 .7439 1.74 |
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Ca15 .2415 .7443 .2451 2.21 |
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Ca16 .7433 .2401 .2423 2.15 |
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Ca17 .9014 .6171 .6178 1.87 |
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Ca18 .6191 .6185 .9038 1.86 |
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Ca19 .4037 .1181 .6192 1.41 |
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Ca20 .4032 .6179 .1183 1.29 |
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Ca21 .1196 .1178 .9023 1.52 |
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Ca22 .9025 .1178 .1183 1.28 |
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Ca23 .1179 .6183 .4017 1.34 |
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Ca24 .6180 .1165 .4021 1.24 |
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Ca25 .1185 .4034 .6190 2.22 |
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Ca26 .1190 .9021 .1187 1.42 |
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Ca27 .6174 .9018 .6173 1.18 |
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Ca28 .6193 .4020 .1183 1.24 |
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Ca29 .1197 .3342 .1185 1.03 |
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Ca30 .6186 .3334 .6177 1.89 |
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Ca31 .1162 .8329 .6187 1.85 |
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Ca32 .6183 .8322 .1186 1.75 |
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Ca33 .3335 .1182 .1193 1.07 |
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Ca34 .8333 .6172 .1175 1.82 |
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Ca35 .8336 .1173 .6180 1.92 |
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Ca36 .3355 .6171 .6174 2.00 |
|
Ca37 .1179 .1191 .3343 .82 |
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Ca38 .1180 .6160 .8335 1.89 |
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Ca39 .6191 .1186 .8333 1.93 |
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Ca40 .6183 .6153 .3332 1.86 |
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Ca41 .3685 .3676 .1536 2.08 |
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Ca42 .8679 .3677 .6531 2.05 |
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Ca43 .8689 .8667 .1510 1.99 |
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Ca44 .3675 .8677 .6520 1.97 |
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Ca45 .3693 .6527 .8684 1.71 |
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Ca46 .8677 .1528 .8711 2.09 |
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Ca47 .6527 .3679 .8683 2.14 |
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Ca48 .1517 .8685 .8686 1.83 |
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Ca49 .1527 .3668 .3682 1.99 |
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Ca50 .3676 .1517 .3677 2.12 |
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Ca51 .8683 .6506 .3664 1.91 |
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Ca52 .6535 .8668 .3672 1.80 |
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Ca53 .3681 .0843 .8705 1.75 |
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Ca54 .8696 .0828 .3679 2.11 |
|
Ca55 .8686 .5834 .8664 2.35 |
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Ca56 .3681 .5839 .3678 2.17 |
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Ca57 .3707 .3676 .5842 1.82 |
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Ca58 .8700 .3677 .0828 2.51 |
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Ca59 .5847 .3679 .3692 1.95 |
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Ca60 .0830 .8681 .3682 2.19 |
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Ca61 .0837 .3668 .8681 2.26 |
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Ca62 .3676 .8672 .0840 2.17 |
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Ca63 .8667 .8685 .5837 1.97 |
|
Ca64 .5846 .8680 .8684 2.21 |
|
Mg1 .8724 .3678 .8700 1.08 |
|
Mg2 .8669 .8679 .3692 2.03 |
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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 |
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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 |
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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 |
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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 |
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Si32 -.0091 .9913 -.0088 0.98 |
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O1 .2630 .0402 .3493 1.7 |
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O2 .9375 .4454 .9465 1.8 |
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O3 .8448 .2612 .5423 1.2 |
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O4 .8486 .7631 .0342 1.4 |
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O5 .9384 .9368 .4415 1.9 |
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O6 .4411 .9385 .9436 2.1 |
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O7 .7619 .5388 .3448 1.8 |
|
O8 .3431 .7658 .5422 2.1 |
|
O9 .7647 .0379 .8468 1.5 |
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O10 .0947 .7276 .2910 1.7 |
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O11 .6429 .0114 .2911 1.8 |
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O12 .2614 .5390 .8460 2.1 |
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O13 .3483 .2610 .0383 1.4 |
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O14 .5946 .5131 .4460 1.7 |
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O15 .0400 .3475 .2651 0.8 |
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O16 .4381 .4393 .4386 1.9 |
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O17 .5427 .8382 .2595 1.6 |
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O18 .0340 .8451 .7619 2.3 |
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O19 .5414 .3469 .7616 2.4 |
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O20 .2910 .6406 .0107 1.7 |
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O21 .7890 .1408 .0129 1.9 |
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O22 .2235 .2894 .5959 1.4 |
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O23 .0940 .2215 .7909 1.5 |
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O24 .1433 .5161 .2905 2.2 |
|
O25 .6433 .5112 .7901 1.6 |
|
O26 .5987 .2191 .2893 1.8 |
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O27 .0090 .2878 .6423 1.8 |
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O28 .7891 .6433 .5147 1.8 |
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O29 .5931 .7229 .7840 2.4 |
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O30 .5160 .7871 .6409 2.1 |
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O31 .1428 .0136 .7848 1.5 |
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O32 .5172 .2880 .1456 1.7 |
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O33 .2199 .7895 .0947 2.0 |
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O34 .0971 .5108 .9463 0.9 |
|
O35 .5121 .9468 .0916 2.1 |
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O36 .0174 .7859 .1393 1.6 |
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O37 .2874 .1413 .5142 1.6 |
|
O38 .7238 .7899 .5913 2.1 |
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O39 .1432 .2197 .4534 2.1 |
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O40 .7239 .2897 .0938 1.7 |
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O41 .5121 .4464 .5948 1.2 |
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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 |
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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 |
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O74 .7600 .6987 .8899 2.3 |
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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 |
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O81 .4444 .2958 .2962 2.3 |
|
O82 .8941 .2648 .1951 2.3 |
|
O83 .7978 .4398 .7972 2.1 |
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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 |
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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 |
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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 |
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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 |
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Cl6 .7431 .9907 .4943 2.00 |
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Cl7 .9890 .4908 .7410 1.94 |
|
Cl8 .2468 .9918 .9939 2.35 |
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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 |
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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
|
| |
|
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 |
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Na .5 0 .5 3.8 |
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KK 0 0 0 .6 2.3 |
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BaK 0 0 0 .4 2.3 |
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CaCa .5 .5 0 .76 2.5 |
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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 |
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ZrTi2 .0609 .5 .1013 .1 2.0 |
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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 |
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FeFe3 .5126 0 .2570 .75 1.0 |
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MnFe3 .5126 0 .2570 .25 1.0 |
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O1 .633 .260 .2004 .5 |
|
OH2 .143 0 .2053 2.1 |
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OH3 .5 .5 .5 3.2 |
|
OH4 .884 .5 .2900 1.2 |
|
O5 .368 .284 .3052 1.3 |
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O6 .862 0 .312 2.3 |
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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
|
| |
|
Uramarsite |
| |
Rastsvetaeva R K, Sidorenko G A, Ivanova A G, Chukanov N V |
| |
Crystallography Reports 53 (2008) 771-774 |
|
Structural model of uramarsite |
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Locality: South Kazakhstan |
|
_database_code_amcsd 0012412 |
|
7.173 7.167 9.30 90.13 90.09 89.96 P1 |
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atom x y z occ |
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NH4 .654 .339 .738 |
|
H3O .670 .747 .692 .72 |
|
NH4 .670 .747 .692 .15 |
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Na .670 .747 .692 .09 |
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U1 .034 .061 .002 |
|
U2 .535 .557 .199 |
|
As .532 .060 .101 |
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PP .032 .558 .103 .78 |
|
AsP .032 .558 .103 .22 |
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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
|
| |
|
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)
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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)
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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)
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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 |
|
|
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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)
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View JMOL 3-D Structure
|
| |
|
Tashelgite |
| |
Rastsvetaeva R K, Aksenov S M, Verin I A |
| |
Crystallography Reports 55 (2010) 563-568 |
|
Crystal structure of complex natural aluminum magnesium calcium iron oxide |
|
Locality: Tashelga River, Western Siberia, Russia |
|
_database_code_amcsd 0018315 |
|
5.6973 17.1823 23.5718 90 90.0 90 Pc |
|
atom x y z Biso |
|
Al1 .951 .1671 .0342 .78 |
|
Al2 .460 .1678 .0341 .65 |
|
Al3 .952 .2859 .6478 1.1 |
|
Al4 .457 .2862 .6494 .40 |
|
Al5 .698 .2470 .4475 .43 |
|
Al6 .447 .1088 .4790 .69 |
|
Al7 .951 .1116 .4801 .7 |
|
Al8 .450 .4428 .0864 .45 |
|
Al9 .955 .4427 .0855 .92 |
|
Al10 .217 .4717 .8825 .64 |
|
Al11 .704 .1940 .8320 1.6 |
|
Al12 .207 .4242 .6154 .86 |
|
Al13 .953 .3868 .4129 1.0 |
|
Al14 .455 .3898 .4144 1.0 |
|
Al15 .702 .3055 .0634 .54 |
|
Al16 .202 .0791 .2796 1.3 |
|
Al17 .199 .0303 .0070 1.1 |
|
Al18 .965 .2145 .2464 1.0 |
|
Al19 .446 .2146 .2451 1.7 |
|
Al20 .954 .0599 .8084 1.2 |
|
Al21 .946 .3274 .8576 1.4 |
|
Al22 .451 .0545 .8081 1.8 |
|
Al23 .446 .3330 .8592 1.3 |
|
Al24 .204 .4729 .4995 .7 |
|
Al25 .701 .1982 .5651 .7 |
|
Al26 .713 .2528 .9489 1.0 |
|
Al27 .707 .3031 .3289 1.6 |
|
Al28 .196 .0278 .3952 1.6 |
|
Al29 .703 .4504 .6819 1.1 |
|
Al30 .701 .5087 .3176 .4 |
|
Al31 .701 .0041 .0751 .9 |
|
Al32 .713 .0521 .2156 1.3 |
|
Al33 .188 .2153 .7664 .6 |
|
Al34 .206 .2789 .1272 .4 |
|
Al35 .192 .1233 .6050 .7 |
|
Al36 .203 .3744 .2862 .8 |
|
Fe1 .200 .2812 .5172 1.17 |
|
Fe2 .702 .0547 .9351 1.55 |
|
Fe3 .705 .1103 .3513 1.32 |
|
Fe4 .209 .3315 .9867 1.78 |
|
Mg1 .211 .1683 .9078 1.0 |
|
Mg2 .698 .3884 .5456 .3 |
|
Mg3 .200 .2190 .3744 .4 |
|
Mg4 .705 .4434 .9588 .3 |
|
Ca1 .197 .4165 .7514 2.4 |
|
Ca2 .209 .0841 .1430 .6 |
|
Ca3 .702 .3742 .2009 1.3 |
|
Ca4 .705 .1281 .6947 1.4 |
|
O1 .943 .3403 .1170 .2 |
|
O2 .673 .2015 .0839 .2 |
|
O3 .204 .4706 .1342 .6 |
|
O4 .212 .0874 .5364 2.0 |
|
O5 .460 .3375 .1134 2.1 |
|
O6 .728 .0870 .5323 .2 |
|
O7 .227 .2418 .1940 1.7 |
|
O8 .446 .3932 .6691 .9 |
|
O9 .214 .1979 .0838 1.1 |
|
O10 .955 .1807 .6175 .3 |
|
O11 .983 .3948 .6680 1.1 |
|
O12 .207 .2646 .6968 1.0 |
|
O13 .708 .4740 .1334 1.6 |
|
O14 .213 .3157 .5992 .6 |
|
O15 .477 .1766 .6170 .8 |
|
O16 .705 .1478 .9840 1.1 |
|
O17 .197 .3717 .4666 1.2 |
|
O18 .209 .1413 .9854 .9 |
|
O19 .720 .3610 .4673 .7 |
|
O20 .429 .0092 .4533 1.2 |
|
O21 .188 .1308 .4290 1.4 |
|
O22 .730 .089 .851 3.7 |
|
O23 .205 .4242 .0306 1.0 |
|
O24 .696 .4095 .0391 1.3 |
|
O25 .727 .3461 .9150 .8 |
|
O26 .432 .4502 .5546 .7 |
|
O27 .930 .219 .506 3.1 |
|
O28 .713 .2959 .5986 1.2 |
|
O29 .213 .3701 .9067 1.9 |
|
O30 .692 .1994 .2999 1.0 |
|
O31 .424 .0493 .3358 1.1 |
|
O32 .973 .4374 .8358 1.8 |
|
O33 .199 .0777 .8682 4.3 |
|
O34 .453 .4413 .8352 .5 |
|
O35 .960 .1626 .7829 .7 |
|
O36 .983 .0076 .4536 .6 |
|
O37 .225 .3048 .8124 1.3 |
|
O38 .503 .2164 .5043 2.2 |
|
O39 .923 .2699 .0041 .5 |
|
O40 .473 .1664 .7860 2.1 |
|
O41 .929 .2931 .3920 .9 |
|
O42 .445 .0682 .0564 .3 |
|
O43 .697 .4990 .2445 2.4 |
|
O44 .722 .0292 .7596 .5 |
|
O45 .20 .182 .298 9.0 |
|
O46 .728 .4145 .3545 .7 |
|
O47 .992 .0439 .3403 1.0 |
|
O48 .983 .4514 .5587 2.2 |
|
O49 .466 .2781 .0076 .7 |
|
O50 .717 .2981 .8106 1.0 |
|
O51 .714 1.0004 .1488 1.5 |
|
O52 .478 .2816 .3869 .4 |
|
O53 .966 .0542 .0607 1.4 |
|
O54 .929 .2269 .8917 1.2 |
|
O55 .215 .4209 .3590 1.1 |
|
O56 .728 .1369 .4331 1.0 |
|
O57 .433 .5026 .9384 1.2 |
|
O58 .957 .3212 .2762 1.5 |
|
O59 .996 .493 .4394 2.3 |
|
O60 .477 .224 .8899 4.5 |
|
O61 .171 .0275 .7635 .8 |
|
O62 .468 .3165 .2728 1.4 |
|
O63 .957 .1025 .2243 1.0 |
|
O64 .471 .1058 .2225 1.4 |
|
OH1 .213 .0485 .6547 1.0 |
|
OH2 .231 .4438 .2294 5.1 |
|
OH3 .727 .2625 .7011 1.0 |
|
OH4 .682 .2341 .1992 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gorgeyite |
|
Mukhtarova N N, Kalinin V R, Rastsvetaeva R K, Ilyukhin V V, Belov N V |
| |
Doklady Akademii Nauk SSSR 252 (1980) 102-105 |
|
Crystal structure of gorgeyite K2Ca5(SO4)6*H2O |
|
_database_code_amcsd 0012466 |
|
17.519 18.252 6.840 90 90 113.33 B2/b |
|
atom x y z Biso |
|
K .06662 .08944 .10865 1.70 |
|
Ca1 .14857 .48314 .42274 .57 |
|
Ca2 .28210 .20681 .37465 .59 |
|
Ca3 .5 .25 .08789 .63 |
|
S1 .36792 .08811 .41503 .54 |
|
S2 .42453 .38308 .09998 .52 |
|
S3 .21580 .34618 .38849 .50 |
|
O1 .10118 .42389 .1067 1.13 |
|
O2 .13631 .34132 .4722 1.07 |
|
O3 .41207 .17381 .3614 1.10 |
|
O4 .38070 .03539 .2693 1.05 |
|
O5 .27828 .07444 .4247 .94 |
|
O6 .20250 .28060 .2256 1.14 |
|
O7 .26207 .42879 .3288 .99 |
|
O8 .39780 .31376 .2344 1.12 |
|
O9 .14414 .12189 .4669 1.01 |
|
O10 .23774 .17762 .0397 .99 |
|
O11 .44686 .45739 .2109 1.24 |
|
O12 .00564 .11918 .4841 1.00 |
|
Wat13 0 .25 .2308 2.48 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Alluaivite |
|
Rastsvetaeva R K, Khomyakov A P, Andrianov V I, Gusev A I |
| |
Doklady Akademii Nauk SSSR 312 (1990) 1379-1383 |
|
Crystal structure of alluaivite |
|
Note: eudialyte-type structure |
|
_database_code_amcsd 0012482 |
|
14.046 14.046 60.600 90 90 120 R-3m |
|
atom x y z occ Biso |
|
Na1 .4864 .2432 .4820 3.0 |
|
Na2 .5574 .4426 .4090 3.5 |
|
Na3 .2360 .1180 .3622 2.9 |
|
Na4 .2246 .4492 .3351 .78 3.6 |
|
Na5 .4140 .5860 .4221 .97 6.9 |
|
Na6 .1043 .5522 .0894 .90 3.1 |
|
Na7 1/3 1/6 1/6 3.0 |
|
Na8 .5 .5 0 .22 5.3 |
|
Ca1 .7376 0 0 .75 .63 |
|
Ca2 .7396 .7396 .5 .75 .68 |
|
Mn1 .7376 0 0 .25 .63 |
|
Mn2 .7396 .7396 .5 .25 .68 |
|
Nb1 .3419 .1710 .4163 .23 1.31 |
|
K2 0 0 .5 .33 4.8 |
|
Ce3 .4140 .5860 .4221 .03 6.9 |
|
Sr4 .1043 .5522 .0894 .10 3.1 |
|
Ti3 .3419 .1710 .4163 .77 1.31 |
|
Si1 .2063 .4127 .4608 .97 |
|
Si2 .5249 .2625 .3735 1.32 |
|
Si3 .0848 .5424 .3712 1.04 |
|
Si4 .4047 .5953 .2095 .94 |
|
Si5 .3496 .2847 .2157 .94 |
|
Si6 .0625 .3426 .2842 1.22 |
|
Si7 1/3 2/3 .3781 1.20 |
|
Si8 1/3 2/3 .4715 1.80 |
|
O1 .1717 .3434 .3914 1.7 |
|
O2 .0258 .5130 .3481 1.7 |
|
O3 .5527 .4473 .3124 2.5 |
|
O4 .1825 .3651 .4848 1.3 |
|
O5 .4433 .5567 .2307 2.5 |
|
O6 .4738 .2369 .3982 2.2 |
|
O7 .0623 .1247 .4543 1.9 |
|
O8 .4895 .0210 .4442 1.4 |
|
O9 .6038 .3962 .3720 2.0 |
|
O10 .4313 .5687 .1862 2.5 |
|
O11 .3919 .6081 .3672 7.7 |
|
O12 .2691 .0390 .3980 1.9 |
|
O13 .2781 .3745 .4458 1.9 |
|
O14 .0729 .7026 .3097 1.7 |
|
O15 .6897 .6147 .1907 1.6 |
|
O16 .0542 .4395 .3877 2.8 |
|
O17 .4424 .3594 .2333 1.8 |
|
O18 .2734 .5467 .4591 2.6 |
|
O19 1/3 2/3 .4041 1.5 |
|
O20 1/3 2/3 .4964 3.6 |
|
Wat21 0 0 .5 .67 4.8 |
|
Wat22 2/3 1/3 .4483 10 |
|
Wat23 1/3 2/3 .0500 .20 3.3 |
|
Cl 0 0 .3543 .80 2.3 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
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|
| |
|
Tazheranite |
|
Rastsvetaeva R K, Pushcharovskii D Yu, Spiridonov E M, Gekimyants V M |
| |
Doklady Akademii Nauk SSSR 359 (1998) 529-531 |
|
Tazheranite and calzirtite: structural-mineralogical similarity and distinction |
|
_database_code_amcsd 0012493 |
|
5.111 5.111 5.111 90 90 90 Fm-3m |
|
atom x y z occ |
|
Ca4a 0 0 0 .22 |
|
Ti4a 0 0 0 .22 |
|
Zr4a 0 0 0 .56 |
|
O8c .25 .25 .25 .89 |
|
|
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|
| |
|
Thomsonite-Sr |
| |
Gurbanova O A, Rastsvetaeva R K, Pekov I V, Turchkova A G |
| |
Doklady Akademii Nauk SSSR 376 (2001) 387-390 |
|
Crystal structure of strontium-rich thomsonite |
|
Locality: Khibiny alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0012495 |
|
13.050 13.123 13.241 90 90 90 Pcnn |
|
atom x y z occ Biso |
|
NaM .5061 .0578 .3613 .6 1.16 |
|
CaM .5061 .0578 .3613 .4 1.16 |
|
Sr .5 .5 .5 .52 1.66 |
|
Ca .0316 .003 .002 .24 2.0 |
|
Si1 .25 .25 .6906 .66 |
|
Si2 .3044 .1128 .0024 .55 |
|
Si3 .3841 .3062 .3754 .90 |
|
Al1 .75 .25 .6874 .96 1.1 |
|
SiAl1 .75 .25 .6874 .04 1.1 |
|
Al2 .3038 .1202 .4931 .96 1.15 |
|
SiAl2 .3038 .1202 .4931 .04 1.15 |
|
Al3 .6234 .3094 .3826 .96 .87 |
|
SiAl3 .6234 .3094 .3826 .04 .87 |
|
O1 .3142 .1686 .6185 1.6 |
|
O2 .6967 .1585 .6133 1.2 |
|
O3 .3299 .3190 .7565 1.3 |
|
O4 .6570 .3034 .7625 .8 |
|
O5 .3604 .0049 .496 1.1 |
|
O6 .6311 .1823 .4239 1.9 |
|
O7 .3852 .1889 .4186 1.0 |
|
O8 .8147 .1039 .4598 1.7 |
|
O9 .1799 .1196 .4533 1.2 |
|
O10 .9953 .1472 .8816 1.0 |
|
Wat1 .507 .1259 .1877 2.3 |
|
Wat2 .008 .1123 .1434 2.8 |
|
Wat3 .6518 0 .750 2.2 |
|
Wat4 .3438 0 .750 3.4 |
|
|
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|
| |
|
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 |
|
|
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|
| |
|
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 |
|
|
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|
| |
|
Odintsovite |
| |
Rastsvetaeva R K, Evsyunin V G, Kashaev A A |
| |
Doklady Chemistry 340 (1995) 49-51 |
|
Crystal structure of a new representative of ring silicates |
|
_database_code_amcsd 0012499 |
|
14.243 13.045 33.4839 90 90 90 *Fddd |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
K .375 .875 .4927 3.1 |
|
Na1 .5193 .2076 .3728 .75 2.3 |
|
Ca1 .5193 .2076 .3728 .25 2.3 |
|
Na2 .375 .875 .375 .75 1.8 |
|
Li2 .375 .875 .375 .25 1.8 |
|
Ca .625 .625 .4798 1.41 |
|
Ti .375 .375 .4180 1.42 |
|
Be .5299 .7576 .4157 1.7 |
|
Si1 .5237 .9793 .4226 1.58 |
|
Si2 .4210 .6087 .5404 1.49 |
|
Si3 .3814 .6175 .4509 1.51 |
|
O1 .4621 .375 .375 1.6 |
|
O2 .4805 .8673 .4215 2.1 |
|
O3 .3764 .7194 .5538 1.9 |
|
O4 .3666 .5271 .4194 2.1 |
|
O5 .5317 .6208 .5378 1.8 |
|
O6 .3899 .5157 .5683 1.6 |
|
O7 .5376 .0323 .3802 2.2 |
|
O8 .4794 .6734 .4439 2.1 |
|
O9 .4578 .0534 .4502 2.1 |
|
O10 .3790 .5746 .4968 1.9 |
|
|
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|
| |
|
Pyatenkoite-(Y) |
| |
Rastsvetaeva R K, Khomyakov A P |
| |
Doklady Chemistry 351 (1996) 283-286 |
|
Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the |
|
hilairite group: crystal structure |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012500 |
|
10.696 10.696 15.728 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1933 2.2 |
|
Na2 .365 0 .5 3.1 |
|
YM2 1/3 2/3 1/6 .5 1.01 |
|
DyM2 1/3 2/3 1/6 .3 1.01 |
|
GdM2 1/3 2/3 1/6 .2 1.01 |
|
TiM1 0 0 0 .8 .78 |
|
NbM1 0 0 0 .2 .78 |
|
Si .4228 .4073 .2476 .69 |
|
O1 .092 .168 .0749 1.2 |
|
O2 .103 .211 .5720 1.3 |
|
O3 .657 0 0 1.0 |
|
O4 .641 0 .5 1.8 |
|
Ow5 .503 .144 .0589 1.8 |
|
H1 .53 .43 .04 2.0 |
|
H2 .48 .68 0 2.0 |
|
|
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|
| |
|
Lemmleinite-K |
| |
Rastsvetaeva R K, Arakcheeva A V, Khomyakov A P |
| |
Doklady Chemistry 351 (1996) 294-297 |
|
Crystal structure and microtwinning of a new monoclinic analog of |
|
nenadkevichite |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012501 |
|
14.39 13.900 7.825 90 117.6 90 C2/m |
|
atom x y z occ Biso |
|
Na .4083 .2647 .000 .43 3.3 |
|
K1 .0842 0 .3365 .95 2.6 |
|
K2 .4159 0 .7012 .80 3.3 |
|
TiM1 0 .2244 .5 .7 1.47 |
|
NbM1 0 .2244 .5 .3 1.47 |
|
TiM2 .25 .25 .5 .7 1.51 |
|
NbM2 .25 .25 .5 .3 1.51 |
|
Si1 .2086 .1096 .8015 .81 |
|
Si2 .3232 .1101 .2525 .85 |
|
O1 .2391 .1244 .027 1.4 |
|
O2 .2728 .1798 .734 1.1 |
|
O3 .1008 .2244 .396 .7 .9 |
|
OH3 .1008 .2244 .396 .3 .9 |
|
O4 .2358 0 .768 1.5 |
|
O5 .4229 .1767 .304 1.7 |
|
O6 .2667 .1284 .386 1.2 |
|
O7 .3683 0 .282 1.3 |
|
O8 .0830 .1237 .681 1.5 |
|
Wat1 .5 .142 0 .90 8.8 |
|
Wat2 0 .126 0 .88 10.9 |
|
|
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|
| |
|
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)
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View JMOL 3-D Structure
|
| |
|
Georgbarsanovite |
| |
Ekimenkova I A, Rastsvetaeva R K, Khomyakov A P |
| |
Doklady Chemistry 370 (2000) 17-20 |
|
Crystal structure of the Fe,Cl-analogue of kentbrooksite |
|
Locality: Petrelius peak, Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012503 |
|
14.262 14.262 29.949 90 90 120 R3m |
|
atom x y z occ Biso |
|
Na1 .2090 .1045 .2855 3.5 |
|
Na2a .1057 .2114 .1562 .53 1.7 |
|
Na2b .126 .252 .146 .10 2.8 |
|
Na2c .077 .154 .1738 .37 2.3 |
|
Na3a .5696 .1392 .1730 .57 1.8 |
|
Na3b .5548 .1096 .1815 .43 1.9 |
|
Na4a .497 .782 .170 .11 7 |
|
Na4b .4768 .7384 .1863 .78 4.1 |
|
Ca .4054 .3315 .3323 .77 |
|
Zr .3270 .1635 .1667 .75 |
|
Fe .0108 .5054 -.0002 .23 1.9 |
|
NbM1 1/3 2/3 .2958 .8 1.5 |
|
SiM1 1/3 2/3 .2958 .2 1.5 |
|
Fe2+M2 .1819 .3638 .3289 .62 1.6 |
|
MnM2 .1819 .3638 .3289 .04 1.6 |
|
ZrM2 .1819 .3638 .3289 .09 1.6 |
|
TiM2 .1819 .3638 .3289 .02 1.6 |
|
KM3 .4666 .2333 .0467 .083 1.7 |
|
SrM3 .4666 .2333 .0467 .239 1.7 |
|
BaM3 .4666 .2333 .0467 .011 1.7 |
|
YM3 .4666 .2333 .0467 .044 1.7 |
|
MnM3 .4666 .2333 .0467 .356 1.7 |
|
CaM3 .4666 .2333 .0467 .111 1.7 |
|
CeM3 .4666 .2333 .0467 .156 1.7 |
|
Si1 .6095 .6042 .0973 .58 |
|
Si2 .1402 .0701 .0807 .76 |
|
Si3 .2688 .3260 .2373 .54 |
|
Si4 .2102 .4204 .0743 .66 |
|
Si5 .5266 .2633 .2505 .57 |
|
Si6 .4595 .5405 .2565 .77 |
|
Si7 1/3 2/3 .0873 1.4 |
|
O1 .2084 .6042 .2513 2.1 |
|
O2 .3988 .2975 .1266 1.9 |
|
O3 .6272 .0380 .0455 1.0 |
|
O4 .0468 .3012 .2899 .9 |
|
O5 .1067 .3885 .1067 2.0 |
|
O6 .5721 .6099 .2269 1.3 |
|
O7 .2539 .2251 .2078 1.4 |
|
O8 .4414 .2207 .2908 1.6 |
|
O9 .1807 .3614 .2203 1.0 |
|
O10 .1796 .0898 .1324 1.5 |
|
O11 .1778 .3556 .0290 1.1 |
|
O12 .6055 .3948 .2531 1.0 |
|
O13 .2328 .1164 .0448 1.5 |
|
O14 .4827 .5172 .3064 1.1 |
|
O15 .0118 .5059 .1160 1.0 |
|
O16 .0616 .1232 .0734 1.1 |
|
O17 .2743 .5486 .0662 3.2 |
|
O18 .4710 .2355 .2025 1.4 |
|
OH1 1/3 2/3 .1426 2.1 |
|
OH2 .6030 .2060 -.0014 3.0 |
|
OH3 .413 .586 .002 .23 9 |
|
Clla .618 .383 .0967 .10 3.0 |
|
Cllb 2/3 1/3 .0991 .80 2.4 |
|
Cl2 0 0 .2449 .20 1.2 |
|
Wat 0 0 .2551 .80 1.7 |
|
|
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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)
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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 |
|
|
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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 |
|
|
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|
| |
|
Uranophane - alpha |
|
Barinova A V, Rastsvetaeva R K, Sidorenko G A, Pushcharovsky D Y |
| |
Doklady Chemistry 378 (2001) 122-124 |
|
Crystal structure of high-symmetry alpha-uranophane |
|
Locality: Strel'tsovskii ore field, Transbaikal region, Russia |
|
_database_code_amcsd 0012507 |
|
6.670 15.92 6.985 90 90 97.3 P2_1/b |
|
atom x y z occ Biso |
|
Ca .2761 .0187 .1831 .5 .92 |
|
U .1337 .7557 .2174 .97 |
|
Si .6595 .7179 .2194 .78 |
|
O1 .140 .8693 .202 .5 |
|
O2 .811 .7308 .041 .9 |
|
O3 .124 .6418 .236 .8 |
|
O4 .472 .7718 .214 .9 |
|
O5 .817 .2448 .108 1.1 |
|
OH .572 .6144 .229 2.0 |
|
Wat1 0 0 0 5.1 |
|
Wat2 .214 .4893 -.003 3.4 |
|
Wat3 .587 .9347 .1292 5.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
|
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|
| |
|
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 |
|
|
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|
| |
|
Canasite |
|
Rastsvetaeva R K, Rozenberg K A, Khomyakov A P, Rozhdestvenskaya I V |
| |
Doklady Chemistry 391 (2003) 177-180 |
|
Crystal structure of F-canasite |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012509 |
|
18.846 7.242 12.650 90 111.84 90 Cm |
|
atom x y z occ Uiso |
|
K1 .1570 0 .4988 .028 |
|
K2 .3422 .5 .4997 .030 |
|
K3a -.0016 .5 .505 .76 .045 |
|
K3b .511 0 .558 .24 .07 |
|
Ca1 .2456 .5 -.0032 .85 .0130 |
|
Mn1 .2456 .5 -.0032 .15 .0130 |
|
Ca2 .1608 .2475 .1552 .875 .0066 |
|
Mn2 .1608 .2475 .1552 .125 .0066 |
|
Ca3 .0002 .5 -.0005 .0161 |
|
NaM .3321 .2490 .8418 .5 .0127 |
|
CaM .3321 .2490 .8418 .5 .0127 |
|
Na1 0 0 0 .0051 |
|
Na2 .2498 0 .0047 .010 |
|
Si1 .0173 .2382 .2474 .0223 |
|
Si2 .1433 .2286 .7520 .0175 |
|
Si3 .1361 .5 .3679 .003 |
|
Si4 .2016 .5 .6309 .0017 |
|
Si5 .3543 .2871 .2490 .0082 |
|
Si6 .2931 0 .3671 .017 |
|
Si7 .3599 0 .6318 .015 |
|
Si8 .4798 .2869 .7513 .010 |
|
O1 .0299 .253 .1332 .010 |
|
O2 .0807 .322 .3546 .009 |
|
O3 .2009 0 .2826 .025 |
|
O4 .1979 .5 .4977 .015 |
|
O5 .1517 .3142 .6409 .005 |
|
O6 .0606 .2881 .7529 .015 |
|
O7 .2835 .257 .1302 .004 |
|
O8 .2160 .246 .8606 .029 |
|
O9 .4307 .228 .2384 .028 |
|
O10 .3435 .175 .3563 .028 |
|
O11 .3281 0 .4969 .023 |
|
O12 .3069 0 .7136 .019 |
|
O13 .4151 .1787 .6400 .021 |
|
O14 .4634 .247 .8550 .018 |
|
O15 .1774 .5 .2806 .014 |
|
O16 .2858 .5 .711 .023 |
|
O17 .0273 0 .2865 .006 |
|
O18 .1316 0 .7089 .005 |
|
O19 .3655 .5 .2892 .026 |
|
O20 .4697 .5 .7067 .023 |
|
F1 .1324 0 .0286 .014 |
|
F2 .3674 0 .9669 .025 |
|
F .3590 .5 .958 .75 .028 |
|
OH .3590 .5 .958 .25 .028 |
|
OH1 .1273 .5 .0242 .024 |
|
Wat -.003 0 .502 .026 |
|
|
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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 |
|
|
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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 |
|
|
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View JMOL 3-D Structure
|
| |
|
Deloryite |
|
Pushcharovsky D Y, Rastsvetaeva R K, Sarp H |
| |
Journal of Alloys and Compounds 239 (1996) 23-26 |
|
Crystal structure of deloryite, Cu4(UO2)[Mo2O8](OH)6 |
|
Locality: Cap Garonne mine, Var, France |
|
_database_code_amcsd 0012779 |
|
19.94 6.116 5.520 90 104.18 90 C2/m |
|
atom x y z Biso |
|
Cu1 .2497 0 .505 .53 |
|
Cu2 .25 .25 0 .74 |
|
U 0 0 0 1.86 |
|
Mo .4188 0 .2975 1.14 |
|
O1 .066 0 .289 1.8 |
|
O2 .322 0 .254 2.3 |
|
O3 .433 .250 .146 1.9 |
|
O4 .448 0 .617 1.2 |
|
OH1 .198 0 .831 1.4 |
|
OH2 .203 .250 .281 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Volkovskite |
|
Rastsvetaeva R K, Andrianov V I, Genkina E A, Sokolova T N, Kashaev A A |
| |
Kristallografiya 37 (1992) 326-333 |
|
Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) |
|
Locality: Eastern Siberia |
|
_database_code_amcsd 0014191 |
|
6.50 23.96 6.62 95.68 119.6 90.59 P1 |
|
atom x y z Biso |
|
K .0227 .0230 .0367 3.58 |
|
Ca1 .8140 .1653 .6591 2.70 |
|
Ca2 .7182 .5818 .3904 2.53 |
|
Ca3 .4972 .9070 .0221 2.60 |
|
Ca4 .1926 .4890 .3451 2.48 |
|
B1 .042 .6116 .082 2.5 |
|
B2 .991 .8903 .108 2.5 |
|
B3 .303 .5999 .903 2.5 |
|
B4 .395 .9171 .427 2.4 |
|
B5 .767 .4715 .840 2.4 |
|
B6 .401 .1609 .155 2.5 |
|
B7 .241 .2651 .562 3.3 |
|
B8 .709 .1544 .058 2.5 |
|
B9 .221 .6127 .508 2.5 |
|
B10 .164 .7010 .331 3.1 |
|
B11 .573 .3701 .172 3.0 |
|
B12 .081 .4806 .748 2.5 |
|
B13 .872 .8044 .820 3.2 |
|
B14 .497 .4596 .006 2.6 |
|
B15 .138 .1719 .336 2.8 |
|
B16 .612 .5905 .803 2.4 |
|
B17 .840 .2894 .748 3.0 |
|
B18 .317 .1791 .763 2.6 |
|
B19 .813 .8979 .686 2.7 |
|
B20 .456 .7827 .983 3.1 |
|
B21 .678 .4582 .433 2.6 |
|
B22 .081 .9106 .519 2.3 |
|
O1 .139 .1532 .539 2.5 |
|
O2 .818 .9152 .905 2.6 |
|
O3 .036 .9164 .702 2.8 |
|
O4 .042 .5874 .280 2.5 |
|
O5 .918 .4879 .523 2.6 |
|
O6 .604 .4678 .610 2.5 |
|
O7 .141 .6033 .676 2.5 |
|
O9 .838 .5891 .856 2.6 |
|
O10 .541 .5987 .969 2.6 |
|
O11 .321 .9156 .591 2.7 |
|
O12 .245 .1670 .934 2.8 |
|
O13 .036 .6730 .111 2.7 |
|
O14 .784 .8357 .639 2.9 |
|
O16 .233 .9143 .195 2.7 |
|
O17 .723 .4752 .020 2.6 |
|
O18 .352 .1559 .333 2.8 |
|
O19 .274 .6724 .523 2.9 |
|
O20 .445 .5829 .571 2.5 |
|
O21 .622 .9214 .487 2.7 |
|
O22 .512 .4837 .227 2.6 |
|
O23 .008 .4723 .908 2.5 |
|
O24 .641 .1587 .227 2.6 |
|
O25 .920 .9014 .290 2.7 |
|
O27 .254 .5960 .078 2.5 |
|
O28 -.018 .8283 .049 2.9 |
|
O30 .555 .1579 .831 2.7 |
|
O31 .936 .1462 .114 2.5 |
|
O32 .130 .2341 .347 2.8 |
|
O33 .337 .2413 .763 3.2 |
|
O34 .701 .3982 .390 2.8 |
|
O37 .307 .4812 .801 2.6 |
|
O42 .461 .3974 .976 2.8 |
|
OH8 .903 .2542 .912 3.4 |
|
OH15 .533 .8172 .183 3.4 |
|
OH26 .369 .8120 .796 3.6 |
|
OH29 .571 .3126 .159 3.9 |
|
OH35 .860 .7473 .772 4.0 |
|
OH36 .244 .3229 .565 3.9 |
|
OH38 .737 .2598 .531 3.6 |
|
OH40 .866 .3462 .791 4.0 |
|
OH41 .187 .7581 .373 4.0 |
|
OH45 .467 .7261 .973 4.2 |
|
Cl .5288 .0224 .0627 3.46 |
|
Wat39 .717 .6778 .386 3.8 |
|
Wat43 .736 .0655 .601 3.7 |
|
Wat44 .276 .0422 .523 4.6 |
|
Wat46 .138 .3936 .249 3.8 |
|
H1 -.01 .243 .05 3.4 |
|
H2 .61 .813 .34 3.4 |
|
H3 .30 .795 .63 3.6 |
|
H4 .48 .289 .02 3.9 |
|
H5 .93 .726 .88 4. |
|
H6 .31 .348 .71 3.9 |
|
H7 .68 .276 .40 3.6 |
|
H8 .78 .355 .65 4. |
|
H9 .09 .777 .27 4. |
|
H10 .39 .709 .81 4.2 |
|
H11 .78 .699 .53 3.8 |
|
H12 .65 .684 .25 3.8 |
|
H13 .58 .058 .57 3.7 |
|
H14 .68 .051 .43 3.7 |
|
H15 .22 .077 .63 4.6 |
|
H16 .33 .027 .67 4.6 |
|
H17 .21 .370 .38 3.8 |
|
H18 .05 .377 .09 3.8 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sazykinaite-(Y) |
| |
Rastsvetaeva R K, Khomyakov A P |
| |
Kristallografiya 37 (1992) 1561-1563 |
|
Crystal structure of a rare earth analog of hilairite |
|
_database_code_amcsd 0014193 |
|
10.825 10.825 15.809 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1955 2.2 |
|
Na2 .359 0 .5 .8 4.1 |
|
K .359 0 .5 .2 4.1 |
|
ZrM1 0 0 0 .7 .68 |
|
TiM1 0 0 0 .2 .68 |
|
NbM1 0 0 0 .1 .68 |
|
YM2 0 0 .5 .8 .66 |
|
DyM2 0 0 .5 .1 .66 |
|
GdM2 0 0 .5 .1 .66 |
|
Si .4216 .4094 .2472 .52 |
|
O1 .096 .176 .0795 1.0 |
|
O2 .104 .207 .5732 1.2 |
|
O3 .659 0 0 .9 |
|
O4 .641 0 .5 1.3 |
|
Ow5 .501 .140 .0593 1.7 |
|
H1 .53 .43 .04 |
|
H2 .48 .68 .00 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rastsvetaeva R K, Pushcharovsky D Y, Pekov I V, Voloshin A V |
| |
Kristallografiya 41 (1996) 235-239 |
|
Crystal structure of calcybeborosilite and its place in the datolite-gadolinite |
|
isomorphous series |
|
_database_code_amcsd 0014195 |
|
9.846 7.600 4.766 90 90.11 90 P2_1/a |
|
atom x y z occ Biso |
|
CaM1 .3310 .1066 .9975 .45 1.44 |
|
YM1 .3310 .1066 .9975 .42 1.44 |
|
CeM1 .3310 .1066 .9975 .13 1.44 |
|
FeM2 0 0 0 .25 1.7 |
|
MnM2 0 0 0 .05 1.7 |
|
BT2 .339 .414 .544 .5 1.6 |
|
BeT2 .339 .414 .544 .5 1.6 |
|
SiT1 .0808 .2705 .4835 1.49 |
|
O1 .033 .406 .244 2.1 |
|
O2 .453 .292 .674 2.3 |
|
O3 .202 .337 .684 2.4 |
|
O4 .145 .098 .307 2.6 |
|
O5 .331 .410 .234 .35 1.9 |
|
OH5 .331 .410 .234 .65 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Evsyunin V G, Sapozhnikov A N, Kashaev A A, Rastsvetaeva R K |
| |
Kristallografiya 42 (1997) 1014-1021 |
|
Crystal structure of triclinic lazurite |
|
Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia |
|
_database_code_amcsd 0014196 |
|
9.067 12.896 25.708 89.98 90.08 90.22 P1 |
|
atom x y z occ Biso |
|
Na1 .8086 .3142 .2489 2.1 |
|
Na2 .3073 .1821 .2498 2.7 |
|
Na3 .1601 .5069 .1545 2.5 |
|
Na4 .1796 .4940 .3444 3.3 |
|
Na5 .6979 .8239 .7478 2.0 |
|
Na6 .2254 .4928 .8619 2.9 |
|
Na7 .2139 .1878 .5063 2.4 |
|
Na8 .2652 .4921 .6358 2.4 |
|
Na9 .8127 .1904 .0037 2.6 |
|
Na10 .2256 .2168 .9982 2.8 |
|
Na11 .3442 .9959 .6583 2.2 |
|
Na12 .8034 .2178 .4976 3.4 |
|
Na13 .1994 .6894 .7487 1.9 |
|
Na14 .6583 .0057 .1585 2.1 |
|
Na15 .8438 .4969 .6568 1.7 |
|
Na16 .8462 .0031 .5978 2.1 |
|
Na17 .1610 .0003 .0093 2.4 |
|
Na18 .7740 .5127 .3600 2.5 |
|
Na19 .7821 .8118 .0051 2.2 |
|
Na20 .8298 .5094 .8424 2.2 |
|
Na21 .1943 .8138 .5047 2.2 |
|
Na22 .1948 .7901 .9953 2.4 |
|
Na23 .7771 .7808 .4957 2.6 |
|
Na24 .7440 .5083 .1352 2.2 |
|
CaM1 .3110 .2432 .7534 .75 1.7 |
|
NaM1 .3110 .2432 .7534 .25 1.7 |
|
CaM2 .7016 .7561 .2520 .55 1.9 |
|
NaM2 .7016 .7561 .2520 .45 1.9 |
|
CaM3 .7575 .0052 .8767 .75 1.6 |
|
NaM3 .7575 .0052 .8767 .25 1.6 |
|
CaM4 .2267 .7595 .2506 .45 1.9 |
|
NaM4 .2267 .7595 .2506 .55 1.9 |
|
CaM5 .7813 .2473 .7510 .25 1.9 |
|
NaM5 .7813 .2473 .7510 .75 1.9 |
|
CaM6 .7184 .0019 .3695 .5 1.5 |
|
NaM6 .7184 .0019 .3695 .5 1.5 |
|
CaM7 .2356 -.0008 .3773 .5 2.6 |
|
NaM7 .2356 -.0008 .3773 .5 2.6 |
|
CaM8 .2816 .9992 .8691 .25 1.9 |
|
NaM8 .2816 .9992 .8691 .75 1.9 |
|
Si1 .2438 .2484 .3738 .8 |
|
Si2 .7485 .2578 .3740 .7 |
|
Si3 .2764 .2581 .8766 .8 |
|
Si4 .5550 .3773 .6883 .8 |
|
Si5 .5042 .8749 .9369 .9 |
|
Si6 .4853 .3742 .1873 .8 |
|
Si7 .9785 .6249 .4402 .7 |
|
Si8 .0482 .1215 .6872 .7 |
|
Si9 .5436 .1211 .5633 .8 |
|
Si10 .0484 .3771 .5604 1.1 |
|
Si11 .2713 .7500 .6254 .9 |
|
Si12 .4637 .6208 .3127 .6 |
|
Si13 .9708 .8759 .3125 .6 |
|
Si14 .9901 .6255 .9347 .8 |
|
Si15 .9890 .3744 .0657 .7 |
|
Si16 .7678 .7517 .6270 .9 |
|
Si17 .7790 .2471 .8781 .5 |
|
Si18 .4826 .8792 .4398 .7 |
|
Si19 .4853 .1269 .0660 .7 |
|
Si20 .5056 .6289 .8095 .8 |
|
Si21 .7086 .7525 .1264 .8 |
|
Si22 .0102 .8755 .8107 .9 |
|
Si23 .2094 .7517 .1224 .8 |
|
Si24 -.0184 .1309 .1869 .6 |
|
Al1 .4953 .1302 .4375 .8 |
|
Al2 .5460 .3828 .8151 .6 |
|
Al3 .0227 .3764 .9416 .9 |
|
Al4 -.0068 .1272 .3106 .8 |
|
Al5 .7949 .2507 .6232 .8 |
|
Al6 .0114 .3757 .4361 .9 |
|
Al7 .2988 .2468 .6261 .8 |
|
Al8 .4971 .3730 .3110 .8 |
|
Al9 .5163 .1265 .9409 .9 |
|
Al10 .7341 .2539 .1266 .7 |
|
Al11 .0318 .1254 .8125 .6 |
|
Al12 .2365 .2469 .1269 .7 |
|
Al13 .7204 .7472 .3761 .8 |
|
Al14 .7525 .7540 .8711 .9 |
|
Al15 .0235 .8713 .6861 .7 |
|
Al16 .5202 .6276 .6858 .9 |
|
Al17 .5204 .8733 .5653 .9 |
|
Al18 .0172 .6283 .5657 .9 |
|
Al19 .2528 .7449 .8737 .9 |
|
Al20 .2214 .7514 .3788 .7 |
|
Al21 .9609 .6248 .0601 1.0 |
|
Al22 -.0399 .8808 .1865 .9 |
|
Al23 .4561 .6226 .1863 .8 |
|
Al24 .4665 .8789 .0630 1.0 |
|
S1 .9854 .0023 .4850 1.5 |
|
S2 .0544 .4668 .7512 1.3 |
|
S3 .5306 .0333 .7621 2.1 |
|
S4 .9562 .5357 .2509 1.9 |
|
S5 .0124 .9983 .9851 1.5 |
|
S6 .4732 -.0303 .2613 2.1 |
|
S7 .554 .484 -.019 .89 26.6 |
|
S8 .436 .621 .022 .82 18.3 |
|
S9 .451 .536 .486 .48 20.8 |
|
S10 .440 .382 .482 .30 10.5 |
|
O1 .5274 .3524 .7511 .8 |
|
O2 .1278 .1506 .1498 1.2 |
|
O3 .0383 .3472 .5023 1.2 |
|
O4 .9530 -.0013 .3240 1.5 |
|
O5 .4315 .4917 .1745 1.8 |
|
O6 .4421 .5004 .3234 1.0 |
|
O7 .5365 .3576 .2473 1.0 |
|
O8 .3528 .290 .3266 1.4 |
|
O9 .6610 .3485 .3454 1.2 |
|
O10 .8357 .1955 .3268 1.2 |
|
O11 .3534 .2986 .1772 .5 |
|
O12 .0389 .3488 .0049 1.5 |
|
O13 .1464 .1592 .3445 1.6 |
|
O14 .1767 .3347 .9084 1.6 |
|
O15 .1877 .1855 .8328 1.7 |
|
O16 .6272 .1529 .1023 1.3 |
|
O17 .9712 .8542 .7509 .9 |
|
O18 .4559 .6434 .7500 1.3 |
|
O19 .1254 .3506 .1051 1.0 |
|
O20 .8721 .6526 .6065 1.4 |
|
O21 -.0693 .0086 .1756 1.4 |
|
O22 .8430 .2030 .1764 .9 |
|
O23 .9088 .1610 .6534 1.5 |
|
O24 .3414 .2012 .0766 1.5 |
|
O25 .6272 .3502 .1503 1.4 |
|
O26 .1896 .3161 .5819 1.9 |
|
O27 .3879 .3298 .8424 1.2 |
|
O28 .0094 .1501 .7479 .8 |
|
O29 .6974 .3182 .6680 1.9 |
|
O30 .6063 .6698 .3398 1.6 |
|
O31 .0371 .1523 .2459 1.3 |
|
O32 .3681 .6522 .6462 1.5 |
|
O33 .5148 .1480 .5052 1.9 |
|
O34 .4339 .0103 .0765 1.5 |
|
O35 .8441 .3029 .0761 1.9 |
|
O36 .6319 .8318 .4180 1.6 |
|
O37 .3309 .1905 .4188 1.1 |
|
O38 .0460 .9934 .8230 1.4 |
|
O39 .1127 .8371 .1554 1.7 |
|
O40 .0725 .4985 .5742 1.5 |
|
O41 .1525 .8076 .8255 1.5 |
|
O42 .6429 .7076 .8231 1.2 |
|
O43 .6866 .1861 .5785 1.7 |
|
O44 .4825 -.0007 .4227 1.4 |
|
O45 .6472 .1712 .4008 1.7 |
|
O46 .6108 .6719 .1590 1.7 |
|
O47 .3554 .6464 .8428 1.7 |
|
O48 .1986 .1799 .6745 1.6 |
|
O49 .3710 .8434 .6032 1.1 |
|
O50 .1119 .8355 .3414 1.4 |
|
O51 .3035 .6907 .1643 1.6 |
|
O52 .1706 .7907 .6726 1.3 |
|
O53 .9827 .8498 .2526 1.5 |
|
O54 .1536 .3420 .3946 1.0 |
|
O55 .8657 .8500 .8424 1.4 |
|
O56 .3923 .1538 .5946 2.0 |
|
O57 .4702 .8581 .5030 1.8 |
|
O58 .8332 .6731 .4130 1.6 |
|
O59 .9350 .4937 .0737 2.0 |
|
O60 .5657 .5005 .6750 1.2 |
|
O61 .8751 .1676 .8445 1.7 |
|
O62 .4018 .3364 .6611 1.1 |
|
O63 .6665 .7093 .6733 1.3 |
|
O64 .8691 .8491 .6479 1.2 |
|
O65 .6715 .7920 .5776 1.5 |
|
O66 .1683 .7095 .5779 1.5 |
|
O67 .6571 .8268 .9180 1.4 |
|
O68 .6661 .1748 .9074 2.0 |
|
O69 .8941 .3458 .5901 1.7 |
|
O70 .0690 -.0005 .6754 1.3 |
|
O71 .3358 .8324 .4123 1.7 |
|
O72 .6170 .8381 .0956 2.0 |
|
O73 .5652 .514 .8229 1.2 |
|
O74 .8174 .8250 .3318 1.7 |
|
O75 .3130 .6736 .3323 1.8 |
|
O76 .5746 -.0014 .5747 1.8 |
|
O77 .0115 .5061 .9240 1.7 |
|
O78 .8067 .6919 .0839 1.9 |
|
O79 .5339 .1504 .0068 2.3 |
|
O80 .7044 .3304 .8390 1.6 |
|
O81 .1252 .6817 .4243 2.4 |
|
O82 .9553 .6552 .9936 2.1 |
|
O83 .8502 .3050 .4173 1.9 |
|
O84 .5125 -.0029 .9233 1.5 |
|
O85 .3534 .1822 .9196 1.4 |
|
O86 .4808 .8598 .9977 2.6 |
|
O87 .8534 .657 .8985 1.6 |
|
O88 .3624 .8346 .9072 2.4 |
|
O89 .8007 .8164 .1683 1.4 |
|
O90 .9853 .5056 .4239 1.8 |
|
O91 .4692 .6502 .2544 1.6 |
|
O92 .8759 .3095 .9200 2.6 |
|
O93 .1406 .6895 .9175 1.6 |
|
O94 .3045 .8154 .0793 1.5 |
|
O95 .9596 .6524 .5019 2.4 |
|
O96 .1110 .6705 .0923 3.4 |
|
O97 .058 .546 .7951 32.7 |
|
O98 .132 -.006 .4641 5.2 |
|
O99 .084 .523 .7041 2.9 |
|
O100 .160 .391 .7612 4.2 |
|
O101 .582 .131 .7424 10.0 |
|
O102 .372 .047 .7807 9.5 |
|
O103 .955 .462 .2946 4.0 |
|
O104 .915 .483 .2052 2.7 |
|
O105 .844 .608 .2613 4.2 |
|
O106 .467 .875 .2404 13.7 |
|
O107 .385 .013 .2989 9.2 |
|
O108 .124 .983 .9461 5.5 |
|
O109 .871 .017 .9601 3.6 |
|
O110 -.096 .419 .7501 3.8 |
|
O111 .099 .581 .2485 3.6 |
|
O112 .876 .011 .4451 4.5 |
|
O113 .958 -.090 .5179 4.0 |
|
O114 .978 .092 .5202 3.6 |
|
O115 .522 .961 .7183 5.6 |
|
O117 .043 .092 .0203 3.6 |
|
O118 .468 .051 .2214 3.8 |
|
O119 .628 .995 .8008 5.6 |
|
O120 .629 .954 .2837 13.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lazurite |
|
Evsyunin V G, Rastsvetaeva R K, Sapozhnikov A N, Kashaev A A |
| |
Kristallografiya 43 (1998) 1057-1060 |
|
Modulated structure of orthorhombic lazurite |
|
Locality: Lyazhvardarinskii deposit, Pamir Mountains, central Asia |
|
_database_code_amcsd 0014197 |
|
9.053 12.837 38.445 90 90 90 Pnaa |
|
atom x y z occ Biso |
|
NaM1 .248 .995 .0893 .30 4.8 |
|
CaM1 .248 .995 .0893 .10 4.8 |
|
CaM2 .274 .7132 .0031 .10 4.2 |
|
NaM2 .274 .7132 .0031 .10 4.2 |
|
Na1 .211 .491 .087 .40 2.8 |
|
Na2 .172 .503 .1020 .60 3.7 |
|
Na3 .231 -.008 .2527 .30 5.6 |
|
Na4 .1543 .4962 .2278 .70 2.2 |
|
Na5 .181 .005 .0696 .60 4.7 |
|
Na6 .202 .790 -.0021 .80 4.4 |
|
Na7 .2992 .1773 .1691 2.9 |
|
Na8 .276 .827 .1741 .085 6.5 |
|
K8 .276 .827 .1741 .085 6.5 |
|
Ca .2124 .7539 .1668 .80 4.2 |
|
Si1 .4779 .3718 .2092 .7 |
|
Si2 .2033 .75 .25 .6 |
|
Si3 .2402 .2465 .0849 1.2 |
|
Si4 .4642 .6216 .1249 1.0 |
|
Si5 .4730 .8788 .0401 .9 |
|
Al1 .2297 .25 .25 .6 |
|
Al2 .4960 .1264 .0431 .9 |
|
Al3 -.0124 .1280 .1263 .7 |
|
Al4 .4556 .6222 .2087 .875 1.0 |
|
Si4 .4556 .6222 .2087 .125 1.0 |
|
Al5 .2210 .7532 .0825 .9 |
|
S1 .4624 .9685 .1629 .81 3.2 |
|
O19 .447 .031 .1929 .80 8.2 |
|
O20 .458 .033 .1346 .80 6.8 |
|
O21 .114 .571 .1597 .84 3.1 |
|
O22 .347 .890 .160 .79 5.8 |
|
S2 .024 -.005 -.0085 .20 3.3 |
|
O23 .071 .906 .009 .23 3.5 |
|
O24 .104 .103 -.0014 .26 2.1 |
|
O25 .359 .511 .040 .24 6.5 |
|
O26 .135 .027 .011 .20 4.7 |
|
S3 .023 .437 .1567 .10 6.9 |
|
S4 .347 .010 .143 .10 8.8 |
|
S5 .083 .974 .026 .10 4.1 |
|
S6 .034 .894 -.014 .13 4.5 |
|
O1 .4232 .4865 .2165 1.4 |
|
O2 .0287 .1429 .1709 1.2 |
|
O3 .0351 .3422 .0002 2.7 |
|
O4 .1064 .8294 .2303 2.8 |
|
O5 .2994 .6853 .2203 2.2 |
|
O6 .1151 .1479 .2339 1.5 |
|
O7 .3381 .2956 .2170 1.2 |
|
O8 -.0187 .8525 .1671 1.8 |
|
O9 .4562 .9920 .0489 1.9 |
|
O10 .1182 .6594 .0584 4.0 |
|
O11 .3389 .1927 .0557 2.1 |
|
O12 .4459 .5018 .1177 1.6 |
|
O13 .3396 .2965 .1168 1.7 |
|
O14 .3242 .8238 .0553 2.3 |
|
O15 .1443 .1592 .1013 1.0 |
|
O16 .1081 .8422 .1064 1.7 |
|
O17 .1398 .3402 .0683 2.5 |
|
O18 .3200 .6826 .1123 2.2 |
|
Cl .085 .052 .026 .09 4.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Betalomonosovite |
| |
Rastsvetaeva R K, Sirota M I, Belov N V |
| |
Soviet Physics - Crystallography 20 (1975) 158-160 |
|
Crystal structure of betalomonosovite |
|
_database_code_amcsd 0015566 |
|
5.34 14.26 14.229 102.55 105.87 89.1 P-1 |
|
atom x y z |
|
Na1 .800 .050 .010 |
|
Na2 .143 .452 .977 |
|
Na3 .103 .236 .264 |
|
Na4 .930 .258 .750 |
|
Na5 .829 .141 .622 |
|
Na6 .660 .478 .375 |
|
Na7 .342 .003 .637 |
|
Ti1 .778 .312 .008 |
|
Ti2 .245 .189 .992 |
|
Ti3 .058 .477 .221 |
|
Ti4 .936 .024 .777 |
|
Si1 .559 .329 .199 |
|
Si2 .453 .173 .801 |
|
Si3 .518 .118 .181 |
|
Si4 .484 .388 .819 |
|
P1 .158 .131 .445 |
|
P2 .728 .376 .558 |
|
O1 .481 .300 .081 |
|
O2 .522 .191 .915 |
|
O3 .983 .209 .061 |
|
O4 .003 .279 .923 |
|
O5 .404 .099 .066 |
|
O6 .530 .401 .934 |
|
O7 .966 .416 .096 |
|
O8 .067 .077 .917 |
|
O9 .826 .086 .216 |
|
O10 .219 .446 .781 |
|
O11 .577 .233 .239 |
|
O12 .434 .278 .778 |
|
O13 .865 .370 .246 |
|
O14 .188 .106 .749 |
|
O15 .278 .074 .206 |
|
O16 .690 .434 .774 |
|
O17 .353 .400 .238 |
|
O18 .673 .121 .757 |
|
O19 .169 .025 .376 |
|
O20 .828 .460 .638 |
|
OH21 .208 .228 .430 |
|
O22 .814 .290 .596 |
|
O23 .895 .123 .466 |
|
OH24 .414 .379 .532 |
|
OH25 .832 .366 .464 |
|
O26 .390 .130 .533 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Murmanite |
|
Rastsvetaeva R K, Andrianov V I |
| |
Soviet Physics - Crystallography 31 (1986) 44-48 |
|
New data on the crystal structure of murmanite |
|
_database_code_amcsd 0015586 |
|
8.700 8.728 11.688 94.31 98.62 105.62 P1 |
|
atom x y z occ Biso |
|
Na1 .905 .303 .988 .5 .10 |
|
Na2 .069 .682 .974 .5 .63 |
|
Na3 .381 .805 .004 .5 1.97 |
|
Na4 .552 .174 .986 .5 .75 |
|
Na5 .983 .177 .272 .3 1.37 |
|
Mn2+5 .983 .177 .272 .45 1.37 |
|
Zr5 .983 .177 .272 .25 1.37 |
|
Na6 .492 .313 .696 .4 1.95 |
|
Ca6 .492 .313 .696 .6 1.95 |
|
Na7 .985 .809 .705 .8 2.39 |
|
K7 .985 .809 .705 .2 2.39 |
|
Na8 .480 .673 .272 3.73 |
|
Ti1 .683 .551 .994 .85 1.10 |
|
Fe3+1 .683 .551 .994 .15 1.10 |
|
Ti2 .165 .069 .001 .85 1.28 |
|
Fe3+2 .165 .069 .001 .15 1.28 |
|
Ti3 .316 .445 .981 .85 1.41 |
|
Fe3+3 .316 .445 .981 .15 1.41 |
|
Ti4 .800 .940 .983 .85 1.26 |
|
Fe3+4 .800 .940 .983 .15 1.26 |
|
Ti5 .743 .068 .721 .8 1.87 |
|
Nb5 .743 .068 .721 .2 1.87 |
|
Ti6 .248 .568 .717 .8 2.16 |
|
Nb6 .248 .568 .717 .2 2.16 |
|
Ti7 .220 .950 .271 .8 1.09 |
|
Nb7 .220 .950 .271 .2 1.09 |
|
Ti8 .754 .414 .258 .8 .82 |
|
Nb8 .754 .414 .258 .2 .82 |
|
Si1 .142 .187 .742 1.64 |
|
Si2 .647 .687 .742 1.57 |
|
Si3 .143 .537 .222 1.53 |
|
Si4 .823 .798 .228 1.28 |
|
Si5 .613 .009 .215 .96 |
|
Si6 .356 .328 .228 1.01 |
|
Si7 .344 .965 .766 1.89 |
|
Si8 .852 .466 .753 2.09 |
|
O1 .317 .284 .088 1.54 |
|
O2 .815 .764 .096 1.51 |
|
O3 .984 .942 .277 1.12 |
|
O4 .146 .506 .077 2.45 |
|
O5 .606 .967 .070 1.77 |
|
O6 .730 .411 .103 2.74 |
|
O7 .197 .936 .114 1.45 |
|
O8 .431 .004 .272 .47 |
|
O9 .225 .686 .265 2.94 |
|
O10 .756 .187 .254 .70 |
|
O11 .973 .100 .088 2.02 |
|
O12 .992 .899 .924 2.30 |
|
O13 .491 .612 .074 2.13 |
|
O14 .305 .491 .265 .85 |
|
O15 .522 .377 .290 1.57 |
|
O16 .686 .876 .275 2.29 |
|
O17 .231 .193 .289 .49 |
|
O18 .508 .395 .907 2.07 |
|
O19 .809 .639 .292 .82 |
|
O20 .159 .243 .893 1.59 |
|
O21 .224 .328 .696 3.85 |
|
O22 .993 .416 .247 1.53 |
|
O23 .517 .051 .718 3.69 |
|
O24 .014 .540 .725 4.30 |
|
O25 .270 .581 .879 1.47 |
|
O26 .692 .852 .697 4.28 |
|
O27 .771 .083 .892 3.15 |
|
O28 .211 .026 .714 3.86 |
|
O29 .502 .549 .711 3.48 |
|
O30 .947 .141 .712 2.16 |
|
O31 .673 .733 .906 2.28 |
|
O32 .342 .995 .915 2.43 |
|
O33 .856 .505 .899 1.98 |
|
O34 .315 .769 .722 1.94 |
|
O35 .816 .634 .726 2.72 |
|
O36 .817 .274 .721 3.06 |
|
Wat1 .249 .982 .459 3.16 |
|
Wat2 .775 .446 .460 2.59 |
|
Wat3 .998 .230 .453 3.73 |
|
Wat4 .473 .767 .451 1.95 |
|
Wat5 .988 .762 .521 4.12 |
|
Wat6 .500 .255 .505 2.80 |
|
Wat7 .691 .054 .534 3.34 |
|
Wat8 .208 .547 .536 2.97 |
|
|
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View JMOL 3-D Structure
|
| |
|
Revdite |
|
Rastsvetaeva R K, Mikheeva M G, Yamnova N A, Pushcharovskii D Yu, Khomyakov A P |
| |
Soviet Physics - Crystallography 37 (1992) 632-636 |
|
Crystal structure of revdite Na16[Si4O6(OH)5]2[Si8O15(OH)6](OH)10*28H2O |
|
Locality: synthetic |
|
Note: changed Si6(z) sign and OH11(y) value to match reported bond distances |
|
_database_code_amcsd 0015591 |
|
53.83 9.972 6.907 90 96.78 90 C2 |
|
atom x y z Biso |
|
Si1 .2025 .208 .680 .7 |
|
Si2 .2997 .492 -.010 1.6 |
|
Si3 .2727 .498 .573 1.6 |
|
Si4 .4522 .465 .680 3.0 |
|
Si5 .4528 .028 .679 2.6 |
|
Si6 .4528 .244 -.008 2.3 |
|
Si7 .2973 .282 .319 1.2 |
|
Si8 .4741 .247 .430 2.4 |
|
Na1 .3658 .489 .128 3.1 |
|
Na2 .2082 .489 .957 2.8 |
|
Na3 .1302 .492 .833 2.3 |
|
Na4 .3830 .250 .867 2.0 |
|
Na5 .0463 .245 .014 2.9 |
|
Na6 .5 .492 0 1.9 |
|
Na7 .1175 .254 .134 2.5 |
|
Na8 .5 .001 0 1.3 |
|
Na9 .2507 .265 -.005 4.2 |
|
Wat1 .0239 .252 .576 1.3 |
|
OH2 .2427 .489 .502 .8 |
|
OH3 .1727 .235 .602 1.9 |
|
Wat4 .2762 .153 .790 2.5 |
|
OH5 .1184 .505 .202 1.9 |
|
OH6 .0750 .497 .370 2.5 |
|
OH7 .2796 .146 .274 1.3 |
|
O8 .2920 .366 .105 .6 |
|
OH9 .3813 .491 .802 2.0 |
|
OH10 .3661 .256 .186 1.7 |
|
OH11 .1327 .258 .806 2.2 |
|
OH12 .4244 .493 .632 1.9 |
|
O13 .3265 .502 .948 1.4 |
|
Wat14 .4133 .496 .216 2.7 |
|
Wat15 .3510 .495 .448 3.1 |
|
O16 .2081 .127 .852 2.9 |
|
Wat17 .1015 .258 .451 2.5 |
|
Wat18 .1528 .489 .553 2.9 |
|
Wat19 .1602 .261 .226 3.0 |
|
O20 .2776 .504 .810 1.6 |
|
OH21 .3258 .248 .382 1.6 |
|
Wat22 .0855 .505 .783 1.6 |
|
Wat23 .3401 .261 .777 1.5 |
|
Wat24 .4003 .252 .545 2.3 |
|
O25 .2863 .369 .486 1.5 |
|
Wat26 .1692 .512 .050 1.8 |
|
O27 .2127 .135 .506 1.6 |
|
OH28 .4211 .254 .046 4.1 |
|
O29 .4593 .114 .885 2.8 |
|
O30 .0283 .398 .257 2.9 |
|
OH31 .2247 .342 .194 1.9 |
|
O32 .4733 .238 .197 2.2 |
|
O33 .2187 .339 .726 1.3 |
|
O34 .4598 .378 .888 2.6 |
|
Wat35 .0255 .394 .798 3.8 |
|
O36 .4641 .114 .496 2.6 |
|
O37 .4636 .382 .493 2.5 |
|
Wat38 .0260 .097 .786 4.0 |
|
OH39 .0282 .095 .257 3.6 |
|
O40 .5 .241 .5 2.0 |
|
Wat41 .0794 .248 .917 2.6 |
|
|
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View JMOL 3-D Structure
|
| |
|
Clinobehoite |
|
Nadezhina T N,Pushcharovsky D Y, Rastsvetaeva R K, Voloshin A V, Burshtein I F |
| |
Soviet Physics Doklady 34 (1989) 187-189 |
|
Crystal structure of a new natural form of Be(OH)2 |
|
Locality: Ural Mountains, Russia |
|
_database_code_amcsd 0015616 |
|
11.020 4.746 8.646 90 98.94 90 P2_1 |
|
atom x y z Biso |
|
Be1 .3099 .537 .407 .3 |
|
Be2 .3087 .048 .219 .9 |
|
Be3 .3254 .284 .909 .8 |
|
Be4 .6750 .292 .280 1.2 |
|
Be5 .9158 .256 .477 .5 |
|
Be6 .0849 .248 .009 1.6 |
|
O1 .3541 .215 .3837 .9 |
|
O2 .3506 .714 .2587 1.4 |
|
O3 .3788 .672 .5732 1.5 |
|
O4 .1632 .580 .4105 .8 |
|
O5 .3749 .161 .0769 1.3 |
|
O6 .1622 .083 .1564 .7 |
|
O7 .3728 .624 .8852 1.0 |
|
O8 .1743 .282 .8786 1.2 |
|
O9 .3743 .116 .7645 1.0 |
|
O10 .0392 .064 .4557 .8 |
|
O11 .0406 .568 .057 .9 |
|
O12 .8241 .288 .3094 .8 |
|
H1 .35 .15 .48 1.5 |
|
H2 .66 .22 .05 1.5 |
|
H3 .61 .73 .30 1.5 |
|
H4 .37 .64 .19 1.5 |
|
H5 .12 .57 .31 1.5 |
|
H6 .57 .15 .44 1.5 |
|
H7 .95 .05 .34 1.5 |
|
H8 .14 .14 .25 1.5 |
|
H9 .85 .08 .20 1.5 |
|
H10 .83 .58 .23 1.5 |
|
H11 .95 .54 .16 1.5 |
|
H12 .42 .18 .04 1.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Grumantite |
|
Yamnova N Y, Pushcharovsky D Y, Andrianov V I, Rastsvetaeva R K, |
|
Khomyakov A P, Mikheeva M G |
| |
Soviet Physics Doklady 34 (1989) 284-286 |
|
A new type of silicon-oxygen group in the structure of grumantite |
|
Na[Si2O4(OH)]*H2O |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015617 |
|
15.979 18.25 7.169 90 90 90 Fdd2 |
|
atom x y z Biso |
|
Na .1382 .2385 .8868 1.44 |
|
Si1 .1030 .2258 .3753 .56 |
|
Si2 .2241 .0907 .3719 .51 |
|
O1 .1691 .1618 .4289 1.06 |
|
O2 .1589 .0243 .3149 .81 |
|
O4 .0413 .1452 .9666 .90 |
|
O6 .0140 .1873 .3233 .78 |
|
Oh5 .1183 .0253 .9513 1.17 |
|
Ow3 .0079 .0843 .6276 1.49 |
|
H1 .015 .112 .72 1.5 |
|
H2 .010 .120 .54 1.5 |
|
H3 .095 .071 .97 1.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sitinakite |
|
Sokolova E V, Rastsvetaeva R K, Andrianov V I, Egorov-Tismenko Y K, |
|
Men'shikov Y P |
| |
Soviet Physics Doklady 34 (1989) 583-585 |
|
Locality: Khibinskii alkaline massif, Russia |
|
The crystal structure of a new sodium titanosilicate |
|
_database_code_amcsd 0015618 |
|
7.819 7.819 12.099 90 90 90 P4_2/mcm |
|
atom x y z occ Biso |
|
Na 0 .5 0 3.3 |
|
K1 .398 .398 .5 .1925 5.1 |
|
K2 .463 .463 .372 .0763 6.7 |
|
Ti .1387 .1387 .6535 .95 .62 |
|
NbTi .1387 .1387 .6535 .05 .62 |
|
Si 0 .5 .25 1.04 |
|
O2 .1426 .1426 .5 1.0 |
|
O3 .1142 .1142 .1723 1.2 |
|
O4 .1195 .3828 .6700 1.3 |
|
Wat1 .269 .269 0 3.4 |
|
Wat5 .5 .5 .25 .82 4.7 |
|
Wat6 .5 .5 .31 .1 6.6 |
|
Wat7 .478 .478 .421 .0988 6.4 |
|
Wat8 .42 .42 .161 .0688 4.4 |
|
Na8 .42 .42 .161 .0275 4.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hsianghualite |
|
Rastsvetaeva R K, Rekhlova O Y, Andrianov V I, Malinovskii Y A |
| |
Soviet Physics Doklady 36 (1991) 11-13 |
|
Crystal structure of hsianghualite |
|
Locality: China |
|
_database_code_amcsd 0015620 |
|
12.864 12.864 12.864 90 90 90 I2_13 |
|
atom x y z Biso |
|
Li1 .4769 .4769 .4769 1.9 |
|
Li2 .2296 .2296 .2296 2.6 |
|
Ca1 .0863 0 .25 1.83 |
|
Ca2 .5 .25 .3445 1.89 |
|
Be .3708 .3296 .0935 1.9 |
|
Si .1239 .1553 .4203 1.67 |
|
O1 .1034 .3934 .0121 1.81 |
|
O2 .0674 .3824 .2077 1.78 |
|
O3 .3584 .1495 .2620 1.86 |
|
O4 .3670 .1824 .4573 1.90 |
|
F1 .3954 .3954 .3954 2.2 |
|
F2 .1454 .1454 .1454 2.1 |
|
|
| Download AMC data (View Text File)
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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)
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|
| |
|
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 |
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Na1 0 0 0 .0113 .0092 .0080 0 .0048 0 |
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Na2 0 .2594 .5 .45 .0192 .0174 .0144 0 .0049 0 |
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Ca2 0 .2594 .5 .2 .0192 .0174 .0144 0 .0049 0 |
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Fe2 0 .2594 .5 .25 .0192 .0174 .0144 0 .0049 0 |
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Mn2 0 .2594 .5 .1 .0192 .0174 .0144 0 .0049 0 |
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Mg 0 .5 0 .8 .0113 .0016 .0151 0 -.0110 0 |
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Fe 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
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Ti 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
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Ti .1458 0 .7068 .95 .00979 .00761 .00630 0 .00066 0 |
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Nb .1458 0 .7068 .05 .00979 .00761 .00630 0 .00066 0 |
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Si .1386 .2819 .2041 .00874 .00533 .00624 .00007 .00052 -.00028 |
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O1 .1713 .1889 .4657 .0164 .0082 .0074 -.0005 .0008 .0019 |
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O2 .1715 .1876 .9714 .0168 .0078 .0084 -.0001 .0023 -.0025 |
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O3 .1696 .5 .2164 .0137 .0049 .0107 0 .0006 0 |
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O4 .0579 .2867 .1735 .0085 .0152 .0196 .0002 -.0004 -.0016 |
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O5 .0604 0 .6671 .0118 .0343 .0134 0 .0004 0 |
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F .4443 0 .2848 .8 .0221 .0321 .0241 0 .0054 0 |
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OF .4443 0 .2848 .2 .0221 .0321 .0241 0 .0054 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ferronigerite-2N1S |
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Arakcheeva A V, Pushcharovskii D Y, Rastsvetaeva R K, Kashaev A A, Nadezhina T N |
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Kristallografiya 40 (1995) 639-644 |
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Crystal structure of nigerite-6H |
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Locality: Eastern Siberia, Irkutsk, Russia |
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_database_code_amcsd 0018796 |
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5.717 5.717 13.80 90 90 120 P-3m1 |
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atom x y z occ Biso |
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AlM1 0 0 .5 .35 |
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AlM2 .1691 .3377 .3306 .36 |
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AlT1 2/3 1/3 .4538 .20 .51 |
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FeT1 2/3 1/3 .4538 .44 .51 |
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ZnT1 2/3 1/3 .4538 .36 .51 |
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AlT2 0 0 .1235 .61 .42 |
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FeT2 0 0 .1235 .39 .42 |
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AlM3 .5 0 0 .75 .61 |
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Sn 2/3 1/3 .1872 .40 |
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O1 .2938 .1471 .4128 .64 |
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O2 1/3 2/3 .4027 .52 |
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O3 0 0 .2592 .43 |
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O4 .0121 .5061 .2604 .52 |
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O5 1/3 2/3 .0701 .62 |
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O6 .3518 .1759 .0846 .99 |
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H 1/3 2/3 .14 1.00 |
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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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