American Mineralogist Crystal Structure Database

4 matching records for this search.

Mitryaevaite
Download hom/mitryaevaite.pdf
Cahill C L, Krivovichev S V, Burns P C, Bekenova G K, Shabanova T A
Download cm/vol39/CM39_179.pdf
The Canadian Mineralogist 39 (2001) 179-186
The crystal structure of mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8*6.48H2O,
determined from a microcrystal using synchrotron radiation
_database_code_amcsd 0005711
6.918 10.127 10.296 77.036 73.989 76.272 P-1
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1    .0218  .3840  .2142            .0005  .0008  .0018  .0000 -.0005  .0000
Al2        0      0      0            .0001  .0008  .0018  .0001 -.0004 -.0001
Al3    .4982  .8020 -.0738            .0002  .0009  .0020  .0000 -.0003 -.0001
P1     .1243  .0573  .2564            .0006  .0008  .0016  .0000 -.0004  .0000
P2     .1069  .6704  .0400            .0002  .0007  .0017  .0000 -.0004  .0000
O1    -.0034  .1999  .2799            .0009  .0009  .0024  .0001 -.0001 -.0001
O2     .3454  .0664  .1784            .0002  .0012  .0023 -.0003 -.0001  .0000
O3     .0258 -.0150  .1817            .0011  .0017  .0022 -.0006 -.0007 -.0002
OH4    .1316 -.0337  .3988            .0015  .0018  .0016  .0001 -.0004  .0005
O5    -.1234  .3940  .0844            .0008  .0014  .0019 -.0001 -.0004 -.0004
O6     .0238  .5749  .1723            .0007  .0010  .0017 -.0003 -.0002  .0001
O7    -.0347  .8131  .0391            .0001  .0009  .0026 -.0001 -.0005 -.0002
O8     .3250  .6843  .0387            .0002  .0013  .0022 -.0001 -.0006  .0001
OH9    .2793  .3420  .0948            .0002  .0012  .0022  .0000  .0001  .0000
F      .2780  .9466 -.0573            .0003  .0011  .0029  .0000 -.0003 -.0001
Wat10  .5552  .8235  .0932            .0012  .0014  .0021 -.0001 -.0005 -.0003
Wat11 -.2358  .4312  .3462            .0010  .0017  .0023  .0000  .0001 -.0001
Wat12  .1615  .3754  .3604            .0021  .0026  .0026 -.0008 -.0013  .0000
Wat13  .4266  .7855 -.2399            .0013  .0026  .0025 -.0006 -.0006 -.0005
Wat14  .1449  .2532  .6258            .0037  .0034  .0026 -.0011  .0003 -.0006
Wat15 -.5917  .5645  .2907            .0027  .0034  .0037 -.0008 -.0017  .0006
Wat16  .4210 -.2521  .4478            .0035  .0031  .0049  .0008  .0007  .0014
Wat17     .5      0     .5 .48        .0140  .0093  .0180 -.0005 -.0120 -.0033
H1    -.5920  .6340  .3210     .0017
H2     .4820  .8930  .1350     .0035
H3     .1420  .3190  .6850     .0021
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Tarbagataite
 
Stepanov A V, Bekenova G K, Levin V L, Sokolova E, Hawthorne F C,
Dobrovol'skaya E A
 
The Canadian Mineralogist 50 (2012) 159-168
Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F),
a new astrophyllite-group mineral species from the Verkhnee Espe Deposit,
Akjailyautas Mountains, Kazakhstan: Description and crystal structure
Locality: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan
_database_code_amcsd 0019039
5.3868 11.9141 11.7171 112.978 94.641 103.189 P-1
atom      x      y      z occ  Uiso
KA1   .1453  .2810  .9949 .38 .0322
CaB      .5      0      0 .62 .0199
NaB      .5      0      0 .38 .0199
NaA2  .1284   .247   .003 .06 .0322
MnM1 .85010 .20477 .47800  .7 .0111
FeM1 .85010 .20477 .47800 .28 .0111
FeM2 .27798 .06692 .48669 .54 .0114
MnM2 .27798 .06692 .48669 .41 .0114
FeM3 .42099 .35140 .48311 .57 .0118
MnM3 .42099 .35140 .48311 .37 .0118
MgM3 .42099 .35140 .48311 .04 .0118
FeM4      0     .5     .5 .37 .0098
MgM4      0     .5     .5 .10 .0098
ZrM4      0     .5     .5 .01 .0098
ZnM4      0     .5     .5 .01 .0098
TiD  .07770 .08463 .19305 .79 .0077
NbD  .07770 .08463 .19305 .15 .0077
SnD  .07770 .08463 .19305 .06 .0077
RbA1  .1453  .2810  .9949 .09 .0322
CsA1  .1453  .2810  .9949 .02 .0322
SiT1  .6809 .27333 .23257     .0092
SiT2  .8141 .54771 .25587     .0113
SiT3  .3797 .67619 .25908     .0123
SiT4  .5060 .93184 .23728     .0091
O1    .7280  .3192  .3844     .0120
O2    .1468  .1601  .3686     .0148
O3    .1277  .3914  .5919     .0128
O6    .5574  .2572  .5889     .0128
O7    .5730  .0150  .3892     .0139
O8    .0757  .5923  .2043     .0217
O9    .2515  .0390  .8278     .0299
O10   .4270  .4120  .7963     .0213
O11   .1250  .8062  .8309     .0312
O12   .2631  .9566  .1721     .0307
O13   .2688  .6045  .8040     .0203
O14   .5703  .2209  .7991     .0225
O15   .3880  .1887  .1670     .0285
O4    .2985  .4648  .4023     .0152
O5    .9928  .1181  .5921     .0172
H1     .257   .423  .3101      .023
H2     .046   .166  .6838      .026
OHX       0      0      0 .65 .0189
FX        0      0      0 .35 .0189
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View JMOL 3-D Structure (permalink)
 
Ferri-fluoro-leakeite
 
Camara F, Hawthorne F C, Ball N A, Bekenova G, Stepanov A V, Kotelnikov P E
 
Mineralogical Magazine 74 (2010) 521-528
Fluoroleakeite, NaNa2(Mg2Fe3+2Li)Si8O22F2, a new mineral of the amphibole group
from the Verkhnee Espe deposit, Akjailyautas Mountains, Eastern Kazakhstan
District, Kazakhstan: description and crystal structure
Note: a-cell edge corrected by author
Locality: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan
_database_code_amcsd 0015898
9.8297 17.9257 5.2969 90 103.990 90 C2/m
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
KA      .0307     .5  .0681 .185  .0502  .0696  .0310  .0720       0  .0603       0
NaA     .0307     .5  .0681 .315  .0502  .0696  .0310  .0720       0  .0603       0
NaM4        0 .27730     .5  .99  .0181  .0219  .0143  .0220       0  .0129       0
CaM4        0 .27730     .5  .01  .0181  .0219  .0143  .0220       0  .0129       0
MgM1        0 .08850     .5 .615 .00953 .01029 .01067 .00812       0 .00320       0
Fe2+M1      0 .08850     .5 .315 .00953 .01029 .01067 .00812       0 .00320       0
TiM1        0 .08850     .5 .070 .00953 .01029 .01067 .00812       0 .00320       0
Fe3+M2      0 .18135      0 .850 .00753 .00769 .00761 .00746       0 .00214       0
AlM2        0 .18135      0 .020 .00753 .00769 .00761 .00746       0 .00214       0
MgM2        0 .18135      0 .100 .00753 .00769 .00761 .00746       0 .00214       0
Fe2+M2      0 .18135      0 .030 .00753 .00769 .00761 .00746       0 .00214       0
LiM3        0      0      0  .66 .01039  .0130  .0084  .0093       0  .0015       0
Mn2+M3      0      0      0  .26 .01039  .0130  .0084  .0093       0  .0015       0
Fe2+M3      0      0      0  .08 .01039  .0130  .0084  .0093       0  .0015       0
SiT1   .27887 .08582 .29429 .983 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013
AlT1   .27887 .08582 .29429 .018 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013
SiT2   .28871 .17057 .80265      .00686 .00769 .00703 .00603 -.00109 .00198 -.00028
O1     .11078 .09014 .21362      .00991  .0076  .0127  .0095 -.00075 .00207  .00002
O2     .11920 .16992 .73373      .00944  .0082  .0110  .0089 -.00027 .00150 -.00015
F3     .10913      0 .70342  .78  .0151  .0154  .0129  .0162       0  .0022       0
OH3    .10913      0 .70342  .08  .0151  .0154  .0129  .0162       0  .0022       0
O3     .10913      0 .70342  .14  .0151  .0154  .0129  .0162       0  .0022       0
O4     .36339 .24943 .80227      .01171  .0156  .0085  .0120  -.0039  .0051 -.00113
O5     .34893 .12816 .08488      .01029  .0092  .0131  .0087  .00006 .00230  .00384
O6     .34229 .11962 .58347      .01056  .0104  .0130  .0082  .00027 .00213 -.00354
O7     .33426      0 .30020      .01284  .0148  .0064  .0167       0  .0027       0
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Natrotitanite
 
Stepanov A V, Bekenova G K, Levin V L, Hawthorne F C
 
Mineralogical Magazine 76 (2012) 37-44
Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the
Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district,
Kazakhstan: description and crystal structure
Locality: Verkhnee Espe deposit, Kazakhstan
_database_code_amcsd 0018669
6.5691 8.6869 7.0924 90 114.1269 90 C2/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Na        0 .16960    .75 .39 .01673  .0085  .0078  .0267       0 -.00015      0
Ca        0 .16960    .75 .32 .01673  .0085  .0078  .0267       0 -.00015      0
Y         0 .16960    .75 .15 .01673  .0085  .0078  .0267       0 -.00015      0
Dy        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Yb        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Er        0 .16960    .75 .03 .01673  .0085  .0078  .0267       0 -.00015      0
Ce        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Ho        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Tm        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Gd        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Nd        0 .16960    .75 .01 .01673  .0085  .0078  .0267       0 -.00015      0
Ti        0     .5      0 .94 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Nb        0     .5      0 .02 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Sn        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Fe        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Mn        0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
V         0     .5      0 .01 .01164  .0081  .0100  .0154 -.00018  .00331 .00346
Si        0 .18221    .25     .00775  .0065  .0075  .0092       0   .0032      0
O1        0 .57186    .25 .83  .0102  .0135  .0094  .0083       0   .0049      0
F1        0 .57186    .25 .17  .0102  .0135  .0094  .0083       0   .0049      0
O2   .18651 .06603 .40948      .0121  .0082  .0135  .0131   .0017   .0026  .0028
O3   .10171 .28936 .11898      .0124  .0128  .0100  .0173   .0015   .0091  .0037
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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