American Mineralogist Crystal Structure Database

8 matching records for this search.

Hydrokenomicrolite
 
Andrade M B, Atencio D, Chukanov N V, Ellena J
 
American Mineralogist 98 (2013) 292-296
Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral
from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
Locality: Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
_database_code_amcsd 0019783
10.454 10.454 10.454 90 90 90 *Fd3m
.125 .125 .125
atom      x    y    z  occ  Uiso
BaA      .5   .5   .5  .33 .0556
SrA      .5   .5   .5  .27 .0556
UA       .5   .5   .5  .10 .0556
CeA      .5   .5   .5  .02 .0556
LaA      .5   .5   .5  .02 .0556
MnA      .5   .5   .5  .02 .0556
NdA      .5   .5   .5  .02 .0556
BiA      .5   .5   .5  .01 .0556
CaA      .5   .5   .5  .01 .0556
PbA      .5   .5   .5  .01 .0556
TaB       0    0    0 .875 .0306
NbB       0    0    0  .05 .0306
SnB       0    0    0  .05 .0306
SiB       0    0    0  .02 .0306
TiB       0    0    0 .005 .0306
OX    .3191 .125 .125 .962  .038
OHX   .3191 .125 .125 .038  .038
WatY   .375 .375 .375  .32  .051
CsY    .375 .375 .375  .03  .051
WatY'  .747 .747 .747  .65  .051
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View JMOL 3-D Structure (permalink)
 
Fluornatromicrolite
 
Andrade M B, Atencio D, Menezes L A D, Ellena J
 
The Canadian Mineralogist 49 (2011) 615-621
The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F
from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil
Locality: Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil
_database_code_amcsd 0018462
10.4396 10.4396 10.4396 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z occ  Uiso
NaA     .5   .5   .5 .44 .0181
CaA     .5   .5   .5 .44 .0181
PbA     .5   .5   .5 .01 .0181
TaB      0    0    0 .85 .0126
NbB      0    0    0 .07 .0126
SiB      0    0    0 .06 .0126
AsB      0    0    0 .02 .0126
O1   .0684 .375 .375 .96 .0207
OH1  .0684 .375 .375 .04 .0207
F     .375 .375 .375 .73  .013
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Robertsite
Download hom/robertsite.pdf
Andrade M B, Morrison S M, Di Domizio A J, Feinglos M N, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=74
Acta Crystallographica E68 (2012) i74-i75
Robertsite, Ca2MnIII3O2(PO4)*3H2O
Locality: Tip Top mine, Custer County, South Dakota, USA
_database_code_amcsd 0019365
17.3400 19.4464 11.2787 90 96.634 90 Aa
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .58062 .03854 .82279  .0137  .0091  .0167  .0148 -.0031 -.0010  .0005
Ca2  .58141 .17089 .36808  .0124  .0095  .0146  .0129  .0000  .0001 -.0005
Ca3  .57448 .37140 .83846  .0179  .0098  .0196  .0236  .0037 -.0009 -.0084
Ca4  .41585 .29044 .23054  .0119  .0088  .0119  .0145  .0011 -.0008 -.0008
Ca5  .41628 .49350 .68142  .0165  .0086  .0254  .0155 -.0027  .0013 -.0090
Ca6  .41167 .15870 .70426  .0227  .0070  .0360  .0246 -.0014  .0000 -.0201
Mn1  .25209 .46201 .50350  .0086  .0078  .0103  .0073 -.0007 -.0009 -.0002
Mn2  .24576 .20322 .29198  .0083  .0077  .0054  .0113 -.0002 -.0012  .0006
Mn3  .24562 .22294 .79390 .00849  .0076  .0058  .0116  .0015 -.0010 -.0019
Mn4  .24453 .04194 .27166 .00814  .0079  .0077  .0084 -.0001 -.0003  .0004
Mn5  .24564 .05107 .76962 .00691  .0075  .0058  .0075  .0007  .0010  .0000
Mn6  .25012 .37523 .27271 .00717  .0065  .0060  .0087  .0008 -.0002 -.0004
Mn7  .25291 .38379 .77123 .00791  .0084  .0066  .0084  .0005 -.0005 -.0013
Mn8  .25065 .29440 .03965  .0095  .0098  .0082  .0092  .0021 -.0038 -.0029
Mn9  .23926 .12877 .53689  .0081  .0075  .0077  .0090 -.0006 -.0002  .0016
P1   .10655 .28822 .18234  .0097  .0081  .0072  .0131 -.0006 -.0024  .0020
P2   .10885 .46008 .64796  .0081  .0069  .0096  .0073 -.0018 -.0011  .0006
P3   .10188 .14070 .68711  .0076  .0061  .0058  .0107  .0007  .0003 -.0006
P4   .39169 .46640 .35583  .0081  .0067  .0086  .0086  .0009 -.0007 -.0009
P5   .38516 .12096 .39767  .0090  .0086  .0060  .0120 -.0002 -.0001  .0007
P6   .39221 .30491 .89494  .0108  .0093  .0103  .0122  .0023 -.0015 -.0047
P7   .20597 .45712 .01054  .0089  .0105  .0081  .0081 -.0008  .0012 -.0008
P8   .28687 .12488 .04287  .0126  .0108  .0156  .0112 -.0001 -.0004 -.0038
P9   .28811 .29252 .54105  .0127  .0098  .0152  .0125 -.0012 -.0005  .0020
O1    .0210  .2875  .1690  .0178   .010   .014   .028  .0019 -.0028  .0032
O2    .1379  .2231  .2543  .0135   .013   .006   .021  .0005 -.0004  .0025
O3    .1394  .3527  .2542  .0135   .012   .006   .022 -.0023  .0002 -.0019
O4    .1381  .2862  .0600  .0132   .009   .016   .014 -.0021 -.0033  .0022
O5    .0237  .4560  .6302  .0152   .010   .017   .019  .0008  .0036 -.0007
O6    .1364  .5263  .7164  .0131   .013   .009   .016  .0003 -.0028  .0007
O7    .1426  .3972  .7196  .0110   .012  .0086  .0120 -.0049 -.0013  .0003
O8    .1411  .4594  .5248  .0135   .009   .018   .012 -.0045 -.0041 -.0030
O9    .0155  .1437  .6814  .0148   .009   .014   .021 -.0013 -.0010 -.0009
O10   .1370  .2045  .7596  .0134   .010   .012   .018  .0022  .0026 -.0027
O11   .1339  .0742  .7528  .0116   .013   .008   .015  .0011  .0040  .0020
O12   .1277  .1421  .5601  .0112   .007   .015  .0115 -.0003 -.0004  .0048
O13   .4788  .4702  .3630  .0145   .006   .016   .022 -.0022  .0015 -.0011
O14   .3614  .3989  .2923  .0090   .004   .011  .0118  .0009 -.0015 -.0052
O15   .3540  .5296  .2856  .0111   .008   .011   .014  .0006 -.0025  .0037
O16   .3643  .4666  .4812  .0124   .013  .0106  .0125  .0006 -.0018  .0000
O17   .4724  .1198  .4171  .0168   .006   .022   .022  .0027  .0000  .0058
O18   .3551  .1868  .3275  .0082   .006  .0079  .0111 -.0001  .0010  .0026
O19   .3541  .0575  .3226  .0088   .008  .0077  .0109 -.0005  .0006 -.0032
O20   .3502  .1198  .5191  .0124   .014   .014  .0096 -.0039  .0027  .0004
O21   .4794  .3056  .9025  .0190   .007   .018   .031  .0003 -.0004 -.0054
O22   .3572  .2402  .8253  .0114   .009   .010   .015 -.0006 -.0016 -.0078
O23   .3593  .3692  .8256  .0117   .010   .012  .0131  .0044  .0000  .0006
O24   .3642  .3047  .0216  .0157   .020   .018  .0088  .0033 -.0033 -.0060
O25   .1216  .4394  .9774  .0171   .016   .015   .021  -.001   .003 -.0009
O26   .2491  .3998  .0859  .0129   .019   .011  .0078  .0009 -.0038 -.0015
O27   .2220  .5242  .0796  .0134   .018   .009   .012 -.0071 -.0014 -.0016
O28   .2486  .4628  .8960  .0152   .019   .016   .011  -.002  .0075 -.0013
O29   .3736  .1122  .0715  .0210   .008   .026   .027  .0065 -.0070  -.009
O30   .2470  .0691  .9604  .0141   .014   .014   .014 -.0024  .0003 -.0057
O31   .2625  .1932  .9804  .0215   .026   .016   .023 -.0009   .002  .0011
O32   .2460  .1243  .1567  .0168   .014   .023   .014  .0051 -.0009 -.0058
O33   .3751  .2796  .5684  .0242   .010   .034   .027   .003  -.005  -.004
O34   .2656  .3556  .4631  .0167   .027   .012  .0115 -.0068  .0014  .0029
O35   .2452  .2315  .4746  .0159   .014   .012   .021 -.0047  .0007  .0015
O36   .2496  .3018  .6558  .0156   .011   .018   .017  .0004  .0024  .0048
O37   .2128  .1183  .3716  .0155   .013   .018   .014 -.0048 -.0029  .0045
O38   .2705  .1411  .7083  .0094   .007  .0105  .0115 -.0017  .0019 -.0034
O39   .2767  .2855  .2121  .0085   .009  .0048  .0112 -.0014 -.0012 -.0004
O40   .2210  .3076  .8749  .0123   .012   .010  .0134  .0045 -.0019 -.0073
O41   .2217  .4622  .3310  .0105   .011  .0119  .0090 -.0010  .0009  .0032
O42   .2790  .4644  .6681  .0144   .008   .027  .0075 -.0011 -.0023 -.0029
Wat1  .4965  .2707  .4139  .0188   .027   .014   .014   .004  -.004 -.0036
Wat2  .4817  .3812  .6588  .0243   .027   .019   .025   .002  -.004 -.0063
Wat3  .4978  .0622  .6478  .0163   .018   .017   .012  -.001 -.0034 -.0009
Wat4  .4916  .1935  .1817  .0175   .022   .015   .014   .003 -.0015 -.0037
Wat5  .5066  .4716  .8740  .0161   .019   .014   .016   .001  .0055 -.0038
Wat6  .4881  .1223  .8902  .0232   .032   .021   .017   .001   .004 -.0049
Wat7  .4218  .4531  .0558  .0209   .026   .014   .024  -.005   .008 -.0063
Wat8  .5761  .3807  .4894  .0324   .038   .028   .030  -.011   .004  -.008
Wat9  .5819  .2115  .0122  .0358   .048   .026   .036  -.018   .014  -.010
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Durangite
Download hom/durangite.pdf
Downs G W, Yang B N, Thompson R M, Wenz M D, Andrade M B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=86
Acta Crystallographica E68 (2012) i86-i87
Redetermination of durangite, NaAl(AsO4)F
Locality: the Barranca mine, Coneto de Comonfort, Durango, Mexico
_database_code_amcsd 0019593
6.5789 8.5071 7.0212 90 115.447 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       .5  .17173    .25 .95 .01324  .0098  .0063  .0208      0  .0039      0
Li       .5  .17173    .25 .05 .01324  .0098  .0063  .0208      0  .0039      0
Al        0       0      0 .91 .00554 .00567  .0052 .00565 .00045 .00233 .00008
Fe        0       0      0 .09 .00554 .00567  .0052 .00565 .00045 .00233 .00008
As        0 .314545    .25     .00504 .00470 .00455 .00563      0 .00199      0
O1   .19850  .43542 .41553     .00955  .0072  .0093  .0103 -.0026  .0020 -.0032
O2   .10283  .20307 .11309     .00838  .0097  .0071  .0103 -.0003  .0061 -.0020
F         0  .06705    .75 .73 .00719  .0096  .0067  .0056      0  .0036      0
OH        0  .06705    .75 .27 .00719  .0096  .0067  .0056      0  .0036      0
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Pirquitasite
Download hom/pirquitasite.pdf
Schumer B N, Downs R T, Domanik K J, Andrade M B, Origlieri M J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=8
Acta Crystallographica E69 (2013) i8-i9
Pirquitasite, Ag2ZnSnS4
Locality: Pirquitas, Jujuy Province, Argentina
_database_code_amcsd 0019767
5.7757 5.7757 10.8696 90 90 90 I-4
atom     x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1      0     0      0      .0364  .0360  .0360  .0372      0      0      0
Ag2      0    .5    .25 .87  .0301  .0274  .0274  .0355      0      0      0
Cu       0    .5    .25 .13  .0301  .0274  .0274  .0355      0      0      0
Zn      .5     0    .25 .61  .0220  .0248  .0248  .0163      0      0      0
Fe      .5     0    .25 .36  .0220  .0248  .0248  .0163      0      0      0
Cd      .5     0    .25 .03  .0220  .0248  .0248  .0163      0      0      0
Sn      .5    .5      0     .01176  .0114  .0114  .0125      0      0      0
S    .7325 .2526 .12847      .0214  .0250  .0212  .0181  .0053 -.0023  .0044
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Lanthanite-(Nd)
Download hom/lanthanitend.pdf
Morrison S M, Andrade M B, Wenz M D, Domanik K J, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=15
Acta Crystallographica E69 (2013) i15-i16
Lanthanite-(Nd), Nd2(CO3)3*8H2O
Locality: Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan
_database_code_amcsd 0019766
8.9391 9.4694 16.9374 90 90 90 Pccn
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Nd1     .25    .25 .25008 .475 .01450 .01417 .01111 .01822  .00172       0       0
La1     .25    .25 .25008 .305 .01450 .01417 .01111 .01822  .00172       0       0
Pr1     .25    .25 .25008 .085 .01450 .01417 .01111 .01822  .00172       0       0
Sm1     .25    .25 .25008 .060 .01450 .01417 .01111 .01822  .00172       0       0
Gd1     .25    .25 .25008 .040 .01450 .01417 .01111 .01822  .00172       0       0
Y1      .25    .25 .25008 .020 .01450 .01417 .01111 .01822  .00172       0       0
Eu1     .25    .25 .25008 .015 .01450 .01417 .01111 .01822  .00172       0       0
Nd2     .25    .75 .28045 .475 .01381 .01354 .01037 .01752 -.00126       0       0
La2     .25    .75 .28045 .305 .01381 .01354 .01037 .01752 -.00126       0       0
Pr2     .25    .75 .28045 .085 .01381 .01354 .01037 .01752 -.00126       0       0
Sm2     .25    .75 .28045 .060 .01381 .01354 .01037 .01752 -.00126       0       0
Gd2     .25    .75 .28045 .040 .01381 .01354 .01037 .01752 -.00126       0       0
Y2      .25    .75 .28045 .020 .01381 .01354 .01037 .01752 -.00126       0       0
Eu2     .25    .75 .28045 .015 .01381 .01354 .01037 .01752 -.00126       0       0
C1      .25    .75 .10611      .02115 .01760 .02236 .02348  .00313       0       0
C2   .45965 .49725 .28322      .01421 .01645 .01192 .01425  .00038 -.00127  .00139
O1   .32290 .65751 .14676      .01811 .01811 .01505 .02117  .00221 -.00168 -.00178
O2      .25    .75 .03271      .06879 .09507 .09436 .01694  .07007       0       0
O3   .02339 .38367 .20815      .02096 .02237 .01210 .02840  .00552 -.00162  .00007
O4   .02341 .61601 .23732      .02160 .01883 .01305 .03290 -.00389 -.00218 -.00293
O5   .31579 .49314 .29412      .01923 .01283 .01651 .02836  .00060  .00268  .00083
Wat1 .31701 .38197 .12154      .02315 .02801 .01592 .02553 -.00069  .00119 -.00117
Wat2 .11404 .32187 .37844      .02607 .01711 .03570 .02541 -.00099  .00073  .00060
Wat3 .12410 .64573 .40530      .03433 .03031 .04987 .02281 -.01530  .00076 -.00112
Wat4 .38784 .38886 .49720      .07490 .08902 .07672 .05895 -.02797  .03460 -.02871
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Katayamalite
 
Andrade M B, Doell D, Downs R T, Yang H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=41
Acta Crystallographica E69 (2013) i41-i41
Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2
Locality: Iwagi Island, Inland Sea, Ehime Prefecture, Japan
_database_code_amcsd 0019864
16.9093 9.7287 20.9019 90 112.396 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)
K         0  .07120    .25 .89  .0361  .0352  .0342  .0410       0  .0170      0
Na        0  .07120    .25 .12  .0361  .0352  .0342  .0410       0  .0170      0
Li1      .5   .0835    .25      .0167   .006   .027   .016       0   .004      0
Li2   .2458   .3180  .2486      .0185   .016   .015   .023   .0026   .006  -.002
Ca1  .22009 -.07260 .51311     .01101  .0084  .0101  .0156   .0000  .0057 -.0002
Ca2  .14530  .28347 .50710     .01108  .0081  .0104  .0155  .00035  .0053  .0002
Ca3  .07248  .63859 .50005     .01062  .0079  .0107  .0142 -.00007  .0054  .0002
Ca4       0       0     .5     .01050  .0072  .0101  .0142       0  .0042 -.0008
Ti   .33450  .07041 .25164 .90 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Zr   .33450  .07041 .25164 .07 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Fe   .33450  .07041 .25164 .02 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Sn   .33450  .07041 .25164 .01 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Si1  .61419  .26505 .36044     .00846  .0058  .0092  .0110  -.0005  .0040 -.0009
Si2  .43082  .32346 .35974     .00856  .0056  .0091  .0107   .0001  .0029 -.0008
Si3  .36872  .63501 .35927     .00838  .0052  .0086  .0108  -.0002  .0026  .0000
Si4  .49109  .88012 .36047     .00828  .0049  .0096  .0101  -.0001  .0027  .0009
Si5  .67395  .81556 .35909     .00837  .0065  .0085  .0112   .0005  .0046  .0006
Si6  .73864  .50791 .36208     .00839  .0068  .0084  .0112  -.0003  .0047 -.0002
O1   .65854  .40272 .34511      .0148  .0124  .0130  .0202  -.0047  .0076  .0007
O2   .65931  .22314 .44096      .0123  .0107  .0143  .0123   .0003  .0052 -.0006
O3   .61303  .14415 .30807      .0122  .0096  .0130  .0155  -.0004  .0065 -.0036
O4   .51486  .31007 .34026      .0139  .0069  .0185  .0176   .0024  .0060  .0004
O5   .35276  .23886 .30523      .0118  .0076  .0130  .0129  -.0005  .0022 -.0018
O6   .45262  .28303 .43917      .0143  .0125  .0163  .0144  -.0010  .0052 -.0003
O7   .40985  .48821 .35090      .0163  .0134  .0088  .0274   .0025  .0085 -.0007
O8   .27342  .65293 .30411      .0133  .0063  .0139  .0174  -.0013  .0021  .0010
O9   .37854  .65030 .43848      .0139  .0119  .0163  .0132  -.0013  .0045  .0000
O10  .42704  .74837 .34065      .0139  .0099  .0154  .0177  -.0037  .0067  .0017
O11  .52072  .92080 .44086      .0124  .0112  .0134  .0130  -.0006  .0050 -.0009
O12  .44828  .00452 .30824      .0117  .0068  .0133  .0149   .0006  .0042  .0023
O13  .57262  .82069 .34535      .0151  .0068  .0172  .0233   .0018  .0081  .0004
O14  .72871  .85392 .43847      .0136  .0128  .0143  .0133   .0000  .0045 -.0004
O15  .69498  .90701 .30395      .0120  .0128  .0109  .0144   .0019  .0074  .0030
O16  .69232  .65696 .34465      .0153  .0183  .0103  .0207   .0038  .0110  .0005
O17  .78572  .47659 .30994      .0117  .0124  .0121  .0146   .0006  .0092  .0000
O18  .80132  .49800 .44276      .0127  .0114  .0155  .0107   .0008  .0038 -.0001
O19  .10128   .0692 .45750  .78 .0132  .0143  .0152  .0140  -.0001  .0059 -.0008
F19  .10128   .0692 .45750  .23 .0132  .0143  .0152  .0140  -.0001  .0059 -.0008
H1     .097    .074  .4238  .78  .016
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Fluorcalciomicrolite
 
Andrade M B, Atencio D, Persiano A I C, Ellena J
 
Mineralogical Magazine 77 (2013) 2989-2996
Fluorcalciomicrolite, (Ca,Na,_)2Ta2O6F, a new microlite-group mineral
from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
Locality: Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
_database_code_amcsd 0019993
10.4191 10.4191 10.4191 90 90 90 *Fd-3m
.125 .125 .125
atom    x    y     z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaA     0    0    .5  .53  .0130  .0130  .0130  .0130  -.0041  -.0041  -.0041
NaA     0    0    .5  .41  .0130  .0130  .0130  .0130  -.0041  -.0041  -.0041
TaB     0    0     0 .895 .00438 .00438 .00438 .00438 -.00062 -.00062 -.00062
NbB     0    0     0 .105 .00438 .00438 .00438 .00438 -.00062 -.00062 -.00062
OX   .125 .125 .3183  .99  .0087  .0082  .0082  .0097   .0051       0       0
OHX  .125 .125 .3183  .01  .0087  .0082  .0082  .0097   .0051       0       0
FY   .125 .125  .625  .79  .0121  .0121  .0121  .0121       0       0       0
OHY  .125 .125  .625  .21  .0121  .0121  .0121  .0121       0       0       0
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