American Mineralogist Crystal Structure Database

2 matching records for this search.

Vladykinite
 
Chakhmourdian A R, Cooper M A, Ball N, Reguir E P, Medici L, Abdu Y A, Antonov A A
 
American Mineralogist 99 (2014) 235-241
Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline
rocks of the Murun complex, eastern Siberia, Russia
Locality: Murun complex, eastern Siberia, Russia
_database_code_amcsd 0020023
5.21381 7.9143 26.0888 90 90.3556 90 P2_1/c
atom      x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Na1      .5      .5      .5        .0278  .0125  .0464  .0244  -.0051  .0038  -.0174
Na2  .48483  .44221  .63351  .725  .0210  .0110  .0366  .0153   .0068  .0011   .0130
Ca2  .48483  .44221  .63351  .275  .0210  .0110  .0366  .0153   .0068  .0011   .0130
Sr1  .49578 .902940 .570050       .01107 .01124 .01049 .01149  .00041 .00051 -.00036
Sr2  .50609  .58890 .776998   .92 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
K2   .50609  .58890 .776998   .02 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
La2  .50609  .58890 .776998   .01 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
Ce2  .50609  .58890 .776998  .005 .01184 .01087 .01313 .01153  .00114 .00042 -.00075
Fe2+ .00453  .75589 .675450  .375 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Fe3+ .00453  .75589 .675450   .33 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Mn   .00453  .75589 .675450   .13 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Zn   .00453  .75589 .675450   .08 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Al   .00453  .75589 .675450   .06 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Mg   .00453  .75589 .675450  .025 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Ti   .00453  .75589 .675450  .005 .01134 .01494 .00987 .00921  .00097 .00026  .00018
Si1  .94527  .39083 .714236       .01073 .00941  .0103 .01253 -.00032 .00084 -.00214
Si2  .95867  .10612 .634013       .01018 .00984  .0119 .00877  .00098 .00032 -.00105
Si3  .05166  .23197 .531395       .00944 .01026 .00856 .00950  .00120 .00122  .00102
Si4  .02973  .60042 .567524       .00895 .00852  .0087 .00961  .00019 .00013  .00002
O1    .2494  .39304  .71818        .0175  .0110  .0194  .0219  -.0013 -.0005  -.0047
O2    .8052  .56879  .70091        .0180  .0159  .0131  .0249   .0020  .0017   .0000
O3    .7963  .32075  .76480        .0170  .0150  .0175  .0185  -.0008  .0047  -.0004
O4    .8411  .26336  .66773        .0169  .0118  .0193  .0198   .0010 -.0001  -.0093
O5    .7412  .58495  .86101        .0209  .0121  .0349  .0157  -.0069 -.0009   .0055
O6    .7921 -.05618  .65173        .0161  .0178  .0156  .0151  -.0010  .0020   .0015
O7    .8648  .14346  .57432        .0138  .0131  .0175  .0107  -.0037 -.0009   .0019
O8    .2852  .11891  .51492        .0155  .0168  .0168  .0131   .0074  .0028   .0010
O9    .1552  .41060  .55787        .0131  .0127  .0090  .0177   .0005 -.0001  -.0012
O10   .1358  .71048  .51702        .0130  .0119  .0140  .0133   .0000  .0007   .0036
O11   .7275  .60334  .57060        .0140  .0100  .0170  .0150  -.0001  .0007   .0000
O12   .1881  .67881  .61515        .0145  .0140  .0152  .0143  -.0010 -.0026  -.0017
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Fluorvesuvianite
 
Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V
Download cm/vol41/CM41_1371.pdf
The Canadian Mineralogist 41 (2003) 1371-1380
Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species
from Pitkaranta, Karelia, Russia: Description and crystal structure
Locality: Pitkaranta, Karelia, Russia
_database_code_amcsd 0005894
15.5295 15.5295 11.7808 90 90 90 *P4/nnc
.25 .25 .25
atom          x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1         3/4    1/4      0 .803 .0031  .0029  .0029  .0034      0      0      0
Si2      .81894 .04068 .87126      .0097  .0093  .0104  .0095  .0004  .0007  .0007
Si3      .91766 .84952 .36457      .0102  .0135  .0081  .0091 -.0012  .0002  .0008
Ca1         3/4    1/4    1/4      .0113  .0131  .0099  .0108      0      0      0
Ca2      .81096 .04346 .37980      .0111  .0095  .0128  .0109  .0010 -.0002  .0001
Ca3      .89923 .82022 .88711      .0156  .0132  .0130  .0207  .0020 -.0057 -.0026
Ca4         3/4    3/4  .1428  .50 .0140  .0140  .0140   .014      0      0      0
Fe1         3/4    3/4  .0500  .50 .0255  .0141  .0141   .048      0      0      0
Al2           0      0      0      .0103  .0095  .0067  .0148  .0013  .0019  .0003
Fe3      .88813 .12071 .12691 .046 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Al3      .88813 .12071 .12691 .780 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
Mg3      .88813 .12071 .12691  .17 .0080  .0087  .0084  .0070  .0004  .0017 -.0001
O1        .7811  .1714  .0869      .0111   .010   .014   .009 -.0006  -.002 -.0042
O2        .8835  .1594  .2785      .0096   .012   .008   .009 -.0005  -.001  .0016
O3        .9504  .2782  .4233      .0104   .014   .009   .009 -.0025 -.0027 -.0034
O4        .1067 -.0627  .0296      .0106   .010   .009   .012 -.0033 -.0004  .0021
O5        .8305  .0148  .1782      .0121   .009   .012   .015  .0061  .0037  .0008
O6        .8823  .7288  .0590      .0148   .021   .010   .014  .0034   .003  .0025
O7        .0564  .1750  .3221      .0122   .011   .013   .013  .0016 -.0002  .0031
O8        .0906  .0610  .5661      .0104   .010   .009   .012 -.0008 -.0008 -.0028
O9        .8554  .8554    1/4      .0109  .0115  .0115   .010  -.002 -.0017  .0017
O10         3/4    3/4  .8642      .0146   .014   .014   .015      0      0      0
F11      -.0047  .0620  .1374  .72 .0166   .016   .020   .014 -.0006 -.0010 -.0030
O11      -.0047  .0620  .1374  .28 .0166   .016   .020   .014 -.0006 -.0010 -.0030
H           3/4    3/4    3/4       .080
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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