American Mineralogist Crystal Structure Database

2 matching records for this search.

Surkhobite
 
Rastsvetaeva R K, Eskova E M, Dusmatov V D, Chukanov N V, Schneider F
 
European Journal of Mineralogy 20 (2008) 289-295
Surkhobite: revalidation and redefinition with the new formula,
(Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6
Locality: massif Darai-Pioz, Tajikistan
_database_code_amcsd 0007261
10.723 13.826 20.791 90 95.00 90 C2
atom         x     y     z   occ  Uiso
Ba1          0 .0265     0   .75 .0093
KBa1         0 .0265     0   .25 .0093
Ba2      .7508 .7726 .5009   .75 .0199
KBa2     .7508 .7726 .5009   .25 .0199
K            0 .5672     0   .55 .0230
BaK          0 .5672     0    .3 .0230
Na1          0 .5301    .5        .027
Na2          0  .031    .5        .024
Ca       .2508 .7749 .0006   .80 .0161
NaCa     .2508 .7749 .0006   .15 .0161
SrCa     .2508 .7749 .0006   .05 .0161
Fe1      .8768 .5248 .2557       .0115
Fe2      .1224 .6514 .2478       .0116
Fe3      .8748 .7770 .2439       .0115
Mn,Fe1   .8744 .0250 .2543  .545 .0117
FeMn,Fe1 .8744 .0250 .2543  .455 .0117
Mn,Fe2   .1231 .3986 .2492  .545 .0138
FeMn,Fe2 .1231 .3986 .2492  .455 .0138
Mn1      .8751 .2733 .2441       .0111
Mn2      .1250 .9017 .2458       .0121
Mn3      .1239 .1502 .2467       .0099
Ti1      .7334 .0437 .3998       .0154
Ti2      .7333 .5446 .3985       .0139
Ti3      .0166 .2554 .1008 .7925 .0077
NbTi3    .0166 .2554 .1008 .1425 .0077
ZrTi3    .0166 .2554 .1008  .025 .0077
Ti4      .0161 .7942 .1007 .7925 .0112
NbTi4    .0161 .7942 .1007 .1425 .0112
ZrTi4    .0161 .7942 .1007  .025 .0112
Si1      .9796 .1655 .3810       .0121
Si2      .9822 .6662 .3808       .0130
Si3      .2575 .4177 .1194       .0086
Si4      .2842 .9170 .1192       .0081
Si5      .2836 .1344 .1201       .0098
Si6      .2562 .6341 .1191       .0120
Si7      .9806 .3837 .3806       .0117
Si8      .9811 .8851 .3798       .0122
O1       .9647 .3914 .3064        .013
O2       .2794 .4021 .1974        .007
O3       .9638 .1565 .3030        .009
O4       .2771 .6441 .1987        .013
O5       .2900 .1473 .1970        .012
O6       .1403 .9015 .0873        .009
O7       .3842 .4007 .0829        .005
O8       .9669 .6573 .3008        .012
O9       .2880 .9013 .1994        .010
O10      .9615 .8956 .3040        .019
O11      .3764 .2044 .0843        .006
O12      .7195  .025 .3146        .025
O13      .0295 .7894 .1865        .005
O14      .1519 .7067 .0877        .009
O15      .0275 .2672 .1922        .017
O16      .7205  .523 .3129        .014
O17      .3255 .0210 .1013        .004
O18      .8632 .6393 .4121        .030
O19      .6007 .9525 .4145        .026
O20      .1085 .6500 .4132        .024
O21      .8617  .912 .4136        .044
O22      .3815 .8458 .0877        .013
O23      .8724  .101 .4140        .039
O24      .1092 .1517 .4108        .019
O25      .6009 .4511 .4135        .022
O26      .1462 .3491 .0851        .008
O27      .1393 .1511 .0860        .011
O28      .8695 .4508 .4118        .026
O29      .2073 .5265 .0991        .012
O30       .036  .278 .3922        .064
O31       .042 .7769 .4011        .024
O32      .3917 .6493 .0901        .009
OH1      .0350 .5284 .2092        .015
OH2          0 .2559     0        .011
OH3          0 .8053     0       .0067
F1       .0321 .0159 .2056 .6862  .012
OF1      .0321 .0159 .2056 .3138  .012
F2       .2097 .7795 .2956 .6862  .013
OF2      .2097 .7795 .2956 .3138  .013
F3       .7402 .0069 .5006 .6862  .014
OF3      .7402 .0069 .5006 .3138  .014
F4       .7087 .7767 .2916 .6862  .016
OF4      .7087 .7767 .2916 .3138  .016
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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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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