American Mineralogist Crystal Structure Database

1 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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