American Mineralogist Crystal Structure Database

19 matching records for this search.

Ferrosilite
Download hom/ferrosilite.pdf
Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd50Fs50
Locality: synthetic
_database_code_amcsd 0019860
9.793 9.078 5.238 90 106.27 90 C2/c
atom       x      y      z occ   Uiso
FeM1       0 .90516    .25     .00920
FeM2       0  .2976    .25 .50  .0125
CaM2'      0  .2630    .25 .50  .0125
SiT   .29328 .08959 .24272     .00871
O1    .12169 .08959  .1535      .0103
O2'    .3606  .2463   .320  .5  .0106
O2''   .3806  .2372   .373  .5  .0106
O3'    .3520  .0136  .0042  .5  .0082
O3''   .3511  .0394 -.0115  .5  .0082
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd50Fs50
Locality: synthetic
_database_code_amcsd 0019861
9.793 9.078 5.238 90 106.27 90 C2/c
atom       x      y      z occ   Uiso
FeM1       0 .90516    .25     .00920
FeM2       0  .2976    .25 .50  .0125
CaM2'      0  .2630    .25 .50  .0125
SiT   .29328 .08959 .24272     .00871
O1    .12169 .08959  .1535      .0103
O2'    .3606  .2463   .320  .5  .0106
O2''   .3806  .2372   .373  .5  .0106
O3'    .3520  .0136  .0042  .5  .0082
O3''   .3511  .0394 -.0115  .5  .0082
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd60Fs40
Locality: synthetic
_database_code_amcsd 0019862
9.806 9.068 5.238 90 105.92 90 C2/c
atom       x      y      z occ  Uiso
FeM1       0 .90567    .25     .0100
FeM2       0  .3000    .25 .40 .0118
CaM2'      0  .2632    .25 .60 .0118
SiT   .29196 .09056 .23993     .0094
O1     .1215  .0898  .1534     .0107
O2'     .361   .252   .323  .6 .0092
O2''    .380   .229   .367  .4 .0092
O3'    .3492 .03938 -.0142  .6 .0085
O3''   .3522  .0149  .0015  .4 .0085
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd70Fs30
Locality: synthetic
_database_code_amcsd 0019863
9.819 9.056 5.242 90 105.61 90 C2/c
atom       x      y      z occ   Uiso
FeM1       0 .90619    .25     .00886
FeM2       0  .2998    .25 .30  .0103
CaM2'      0  .2627    .25 .70  .0103
SiT   .29077 .09098 .23797     .00819
O1    .12074 .08997  .1530      .0096
O2'    .3614  .2468  .3202  .7  .0099
O2''   .3808  .2370  .3745  .3  .0099
O3'     .362   .019   .011  .7  .0103
O3''   .3463  .0246  -.011  .3  .0103
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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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View JMOL 3-D Structure (permalink)
 
Agakhanovite-(Y)
 
Hawthorne F C, Abdu Y A, Ball N A, Cerny P, Kristiansen R
 
American Mineralogist 99 (2014) 2084-2088
Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the
Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure
Locality: Heftetjern pegmatite, Tordal, Norway
_database_code_amcsd 0020413
10.3476 10.3476 13.7610 90 90 120 P6/mcc
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Y1      1/3    2/3 .23630 .2275  .0094  .0071  .0071  .0139 .00356       0       0
Yb1     1/3    2/3 .23630 .0025  .0094  .0071  .0071  .0139 .00356       0       0
Ca1     1/3    2/3 .23630   .27  .0094  .0071  .0071  .0139 .00356       0       0
Wat1    1/3    2/3  .0545   .23   .039   .044   .044   .031  .0218       0       0
Na1     1/3    2/3  .0545  .005   .039   .044   .044   .031  .0218       0       0
K         0      0    .25        .0198  .0187  .0187  .0220  .0093       0       0
Be1       0     .5    .25 .9767  .0091  .0091  .0092  .0088  .0045       0       0
Al1       0     .5    .25 .0233  .0091  .0091  .0092  .0088  .0045       0       0
Si1  .08107 .33803 .11267       .00862  .0082  .0106  .0072 .00484 -.00024 -.00127
O1    .0937  .3867      0        .0199  .0308  .0211  .0076  .0130       0       0
O2   .19548 .27738 .13342        .0181  .0173  .0247  .0193  .0158  -.0031  -.0049
O3   .11552 .47476 .18233        .0117  .0123  .0132  .0111  .0075   .0001  -.0031
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View JMOL 3-D Structure (permalink)
 
Yusupovite
 
Agakhanov A A, Pautov L A, Karpenko V Y, Sokolova E, Abdu Y A, Hawthorne F C,
Pekov I V, Siidra O I
 
American Mineralogist 100 (2015) 1502-1508
Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline
massif and its implications as a new microporous filter for large ions
Locality: Darai-Pioz alkaline massif, Tajikistan
_database_code_amcsd 0020332
14.5975 14.1100 14.4394 90 90.0399 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)
Zr1      .25    .25     .5  .82 .00751 .00725 .00838 .00689  .00023 -.00024 -.00052
Y1       .25    .25     .5  .16 .00751 .00725 .00838 .00689  .00023 -.00024 -.00052
Hf1      .25    .25     .5  .02 .00751 .00725 .00838 .00689  .00023 -.00024 -.00052
Nb1      .25    .25     .5  .04 .00751 .00725 .00838 .00689  .00023 -.00024 -.00052
Zr2      .25    .25      0  .82 .00762 .00717 .00861 .00707 -.00039 -.00020 -.00066
Y2       .25    .25      0  .18 .00762 .00717 .00861 .00707 -.00039 -.00020 -.00066
Na1   .26322 .24852 .75107  .95  .0348  .0149  .0579  .0316  -.0004  -.0015   .0113
Na2    .2658      0  .9641  .84  .0421  .0508  .0182  .0571       0  -.0361       0
Na3    .2289      0  .4604  .78  .0532   .067  .0198   .072       0    .052       0
Si1   .40226 .10964 .12184      .01024  .0117  .0082  .0109  -.0010  -.0016   .0003
Si2   .09773 .10957 .62292      .01015  .0118  .0082  .0105   .0012   .0010   .0003
Si3   .11967 .11179 .83638      .01068  .0130  .0071  .0119   .0002  -.0035  -.0005
Si4   .37685 .11193 .33527      .01102  .0138  .0073  .0120  -.0002   .0036  -.0007
Si5   .04951 .23600 .14315      .01065  .0087  .0125  .0108   .0014   .0012   .0005
Si6   .45223 .23339 .64091      .01080  .0088  .0129  .0107  -.0018  -.0014   .0000
Cs1    .1546      0  .1072  .06  .0400   .035  .0176   .067       0    .004       0
K1     .1546      0  .1072  .06  .0400   .035  .0176   .067       0    .004       0
K2     .1454      0  .3871  .10  .0562  .0294  .0308   .108       0   .0073       0
Cs2    .1454      0  .3871  .08  .0562  .0294  .0308   .108       0   .0073       0
Cs3    .3490      0  .5975  .08  .0570   .052   .038   .081       0   -.004       0
K3     .3490      0  .5975  .08  .0570   .052   .038   .081       0   -.004       0
O1    .42304 .24713 .74887       .0221  .0177  .0377  .0108  -.0004  -.0004  -.0013
O2     .1271      0  .8578       .0206  .0290  .0059  .0271       0  -.0071       0
O3    .32442 .13087 .04805       .0169  .0172  .0170  .0163  -.0005  -.0057   .0007
O4    .14180 .21603 .08931       .0187  .0145  .0212  .0206   .0050   .0061   .0006
O5    .36157 .21273 .58484       .0202  .0153  .0245  .0208  -.0056  -.0075   .0004
O6     .3689      0  .3565       .0216  .0307  .0065  .0277       0   .0054       0
O7     .4357      0  .1189       .0200  .0214  .0074  .0312       0  -.0025       0
O8   -.00603 .32790 .10747       .0195  .0175  .0179  .0232   .0072   .0009   .0022
O9    .01651 .14345 .86301       .0216  .0160  .0168  .0321   .0040   .0023   .0006
O10   .17591 .13037 .54935       .0173  .0179  .0177  .0162  -.0002   .0041   .0004
O11    .0636      0  .6197       .0196  .0213  .0083  .0292       0   .0006       0
O12   .50610 .32775 .60866       .0199  .0176  .0176  .0245  -.0073  -.0015   .0015
O13   .52078 .14284 .63442       .0219  .0181  .0186  .0289   .0048  -.0030  -.0017
O14   .36265 .13228 .22537       .0206  .0251  .0252  .0117   .0033   .0019  -.0001
O15   .13732 .13192 .72676       .0207  .0266  .0237  .0117  -.0026  -.0021  -.0009
O16   .19624 .16703 .89243       .0191  .0211  .0163  .0199  -.0037  -.0082  -.0029
O17   .29891 .16735 .38874       .0202  .0228  .0157  .0221   .0039   .0093  -.0022
Wat1   .5181      0  .4851  .50   .050
Wat2   .3534  .0249  .8096  .42   .050
Wat3   .3552      0  .8995  .50   .050
Wat4   .1438      0  .3120  .78   .050
Wat5   .3556      0  .8599  .48   .050
Wat6   .1386      0  .0774  .84   .050
Wat7       0      0      0  .28   .050
Wat8   .3708      0  .5575  .40   .050
Wat9   .3338      0  .6338  .36   .050
Wat10   .173   .017   .156  .10   .050
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View JMOL 3-D Structure (permalink)
 
Tschermakite
Download hom/tschermakite.pdf
Abdu Y A, Hawthorne F C
Download cm/vol47/CM47_917.pdf
The Canadian Mineralogist 47 (2009) 917-926
Crystal structure and Mossbauer spectroscopy of tschermakite from the ruby
locality at Fiskenaesset, Greenland
Locality: Fiskenaesset, Greenland
_database_code_amcsd 0006297
9.8059 17.9721 5.3012 90 105.063 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)
NaA2     .5  -.028     0 .28  .024
NaAm   .521      0  .056 .13  .024
KAm    .521      0  .056 .05  .024
MgM1      0 .08899    .5 .93 .0084  .0101  .0088  .0071      0  .0035      0
FeM1      0 .08899    .5 .07 .0084  .0101  .0088  .0071      0  .0035      0
MgM2      0  .1763     0 .48 .0063  .0066  .0067  .0059      0  .0020      0
AlM2      0  .1763     0 .38 .0063  .0066  .0067  .0059      0  .0020      0
CrM2      0  .1763     0 .10 .0063  .0066  .0067  .0059      0  .0020      0
FeM2      0  .1763     0 .04 .0063  .0066  .0067  .0059      0  .0020      0
MgM3      0      0     0 .84 .0076  .0088  .0067  .0070      0  .0016      0
AlM3      0      0     0 .05 .0076  .0088  .0067  .0070      0  .0016      0
FeM3      0      0     0 .11 .0076  .0088  .0067  .0070      0  .0016      0
CaM4      0  .2794    .5 .90 .0125  .0133  .0137  .0121      0  .0064      0
NaM4      0  .2794    .5 .03 .0125  .0133  .0137  .0121      0  .0064      0
FeM4      0  .2794    .5 .07 .0125  .0133  .0137  .0121      0  .0064      0
SiT1  .2811 .08569 .3017 .67 .0077  .0074  .0081  .0076 -.0010  .0019 -.0004
AlT1  .2811 .08569 .3017 .33 .0077  .0074  .0081  .0076 -.0010  .0019 -.0004
SiT2  .2914 .17326 .8136 .94 .0085  .0082  .0094  .0080      0  .0024  .0008
AlT2  .2914 .17326 .8136 .06 .0085  .0082  .0094  .0080      0  .0024  .0008
O1    .1066  .0894 .2136     .0119  .0101  .0167  .0092 -.0020  .0031 -.0010
O2    .1189  .1736 .7357     .0106  .0073  .0125  .0113  .0004  .0015  .0014
O3   .10999      0 .7146     .0113  .0105  .0125  .0112      0  .0032      0
O4    .3684  .2510 .7918     .0134  .0155  .0119  .0144 -.0025  .0067  .0003
O5   .35095  .1402 .1114     .0138  .0113  .0171  .0122  .0007  .0015  .0041
O6    .3433  .1183 .6045     .0140  .0113  .0174  .0135  .0019  .0036 -.0046
O7    .3368      0 .2809     .0173  .0147  .0150  .0219      0  .0041      0
H      .213      0  .782       .06
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Manitobaite
 
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
 
The Canadian Mineralogist 49 (2011) 1221-1242
The crystal structure and crystal chemistry of manitobaite,
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
Note: green sample
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018618
13.4517 12.5266 26.6765 90 101.582 90 Pc
atom        x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1    .27507  .48754  .53463     .0110  .0090  .0096  .0142 -.0008  .0014  .0008
Mn2    .08521  .51473  .23568     .0098  .0144  .0092  .0056 -.0009  .0018  .0009
Mn3    .38701  .01272  .43005     .0086  .0101  .0059  .0095  .0014  .0008  .0007
Mn4    .04125  .25301 -.20979     .0203  .0186  .0128  .0319 -.0008  .0111 -.0010
Mn5    .22275  .24635  .57565     .0093  .0030  .0043  .0222 -.0008  .0064  .0007
Mn6    .87662  .48637 -.06323     .0097  .0084  .0115  .0091  .0000  .0014  .0005
Mn7    .43438  .24765  .38375     .0105  .0102  .0051  .0182 -.0017  .0078 -.0027
Mn8    .82869  .25261 -.01776     .0144  .0100  .0104  .0236  .0000  .0059 -.0005
Mn9    .17913 -.01368  .13076     .0104  .0115  .0097  .0095  .0013  .0012 -.0017
Mn10  -.01129 -.01214  .33218     .0077  .0101  .0094  .0040 -.0017  .0020 -.0009
Fe1    .19871  .39896  .34672     .0059  .0072  .0054  .0053  .0012  .0019  .0013
Fe2    .59775  .39878 -.05414     .0081  .0086  .0056  .0096 -.0003  .0010  .0001
Fe3    .99429  .60248  .04841     .0085  .0082  .0080  .0085  .0032  .0001 -.0017
Fe4    .49414  .09107  .04032     .0111  .0095  .0158  .0070 -.0009 -.0007 -.0001
Fe5    .77060  .40985  .32664     .0077  .0085  .0060  .0094 -.0001  .0038  .0010
Fe6    .06581  .10090  .02103     .0111  .0116  .0098  .0113 -.0018  .0010 -.0018
Fe7    .26967  .10208 -.18088     .0095  .0096  .0086  .0102  .0027  .0020 -.0012
Fe8    .66696 -.10120 -.07847     .0091  .0098  .0095  .0083 -.0002  .0026  .0025
FeX1   .17085  .58558  .42249 .67 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
AlX1   .17085  .58558  .42249 .21 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
MgX1   .17085  .58558  .42249 .12 .0086  .0098  .0069  .0095 -.0009  .0029 -.0015
FeX2   .09331  .08534  .44465 .68 .0081  .0073  .0087  .0071 -.0014 -.0011 -.0016
MgX2   .09331  .08534  .44465 .32 .0081  .0073  .0087  .0071 -.0014 -.0011 -.0016
MnM1   .40036  .39500  .14503  .5 .0139  .0156  .0122  .0133 -.0020  .0015  .0010
FeM1   .40036  .39500  .14503  .5 .0139  .0156  .0122  .0133 -.0020  .0015  .0010
FeM2   .86433  .10538  .22203  .5 .0055  .0043  .0095  .0031  .0011  .0015 -.0020
MnM2   .86433  .10538  .22203  .5 .0055  .0043  .0095  .0031  .0011  .0015 -.0020
MnY1   .63196  .25018  .18278 .36 .0211  .0128  .0110  .0431 -.0037  .0142 -.0070
CaY1   .63196  .25018  .18278 .64 .0211  .0128  .0110  .0431 -.0037  .0142 -.0070
CaZ1   .48574  .48313  .33333 .28 .0097  .0088  .0071  .0125 -.0004  .0007  .0030
CaZ1   .48574  .48313  .33333 .72 .0097  .0088  .0071  .0125 -.0004  .0007  .0030
CaZ2   .77802  .01716  .03361 .16 .0130  .0169  .0135  .0085 -.0006  .0026 -.0009
MnZ2   .77802  .01716  .03361 .84 .0130  .0169  .0135  .0085 -.0006  .0026 -.0009
Al1    .79378  .40085 -.24963 .79 .0091
Fe1    .79378  .40085 -.24963 .21 .0091
Al2    .69337  .08254 -.15735 .93 .0111
Fe2    .69337  .08254 -.15735 .07 .0111
Al3    .57167  .41841  .52499 .99 .0033
Fe3    .57167  .41841  .52499 .01 .0033
Al4    .47177 -.09752  .11731 .84 .0038
Fe4    .47177 -.09752  .11731 .16 .0038
Al5    .37517  .59176  .22079 .89 .0053
Fe5    .37517  .59176  .22079 .11 .0053
Al6    .96963  .41774  .12540 .68 .0028
Fe6    .96963  .41774  .12540 .32 .0028
Al7   -.11089 -.09417  .14659 .71 .0158
Fe7   -.11089 -.09417  .14659 .29 .0158
Al8    .29588  .08395  .24195 .52 .0127
Fe8    .29588  .08395  .24195 .48 .0127
P1     .40209  .13488  .14892     .0030
P2     .70153  .34258 -.14612     .0066
P3     .30164  .34793  .25316     .0091
P4     .60162  .13727 -.05494     .0063
P5     .09175  .35266  .45270     .0063
P6     .38732  .46137  .43812     .0062
P7     .20519  .13444  .34885     .0062
P8     .05946  .36547  .01903     .0082
P9     .26781  .36553 -.18399     .0070
P10    .18424  .53436  .13790     .0073
P11   -.01674  .53784  .33383     .0071
P12    .49305  .35253  .05063     .0075
P13    .86212  .36354  .21862     .0127
P14    .78071  .46791  .03942     .0081
P15    .58616  .47773  .23731     .0112
P16    .56239  .15909  .51283     .0065
P17    .90474  .35027 -.33908     .0066
P18    .36003  .15004  .70594     .0094
P19    .17276 -.14959  .41438     .0099
P20    .45212  .35515  .61159     .0100
P21    .81270  .14356 -.24362     .0040
P22    .28217  .03770  .53366     .0079
P23   -.03645  .15884  .11323     .0108
P24    .99742  .86386  .05301     .0087
P25    .66298  .36209  .42220     .0078
P26    .07951 -.03460  .22874     .0066
P27    .48318  .03183  .32755     .0059
P28    .77030  .14964  .31600     .0069
P29    .87667  .03750 -.07163     .0080
P30    .67915  .02383  .12999     .0048
Na1    .58711  .01517  .22905 .72 .0053
Ca1    .58711  .01517  .22905 .28 .0053
Na2    .67265  .48283  .13788 .64 .0104
Ca2    .67265  .48283  .13788 .36 .0104
Na3     .7783   .7265  .04229     .0243
Na4     .2800   .2288  .03146     .0289
Na5     .1823   .2689  .13214     .0279
Na6     .8829   .7743 -.06103     .0238
Na7    .32117   .2532  .47428     .0123
Na8    .52955   .2480  .27670 .93 .0125
Na9     .3820  -.2751  .42969 .99 .0183
Na10    .1266   .7510  .17767     .0123
Na11    .9843   .2745  .33739 .93 .0163
Na12    .4874   .2275 -.17186     .0256
Na13    .0844   .2286  .23757 .99 .0212
Na14   .72405   .2534  .07897     .0170
Na15    .9333   .2464 -.11579 .93 .0156
Na16A   .5869   .2584  -.2831 .45  .027
Na16B   .6768   .2455   .6541 .55  .037
O1      .2157  -.0369  .55875     .0091
O2      .3082   .5281  .45960     .0046
O3      .5526   .2423 -.07616     .0081
O4      .1419   .4256 -.00312     .0156
O5      .2672  -.0947  .39937     .0142
O6      .0307   .4315  .06254     .0170
O7      .5675   .3456  .37889     .0092
O8      .3126   .2592 -.16320     .0112
O9      .1037   .2592  .03920     .0100
O10     .9626   .3513 -.02450     .0065
O11     .0575   .0976  .10099     .0156
O12     .1041   .4660  .15834     .0120
O13     .9486   .7598  .03040     .0106
O14     .6578   .0992  .50275     .0105
O15     .1671   .3473 -.22442     .0032
O16     .3448   .4172 -.21388     .0129
O17     .7442   .4056 -.18626     .0121
O18     .3527   .3466  .57063     .0050
O19     .5321   .4158  .58863     .0068
O20     .7002   .5388  .05777     .0117
O21     .2443   .4358 -.14177     .0139
O22     .4782   .1618  .46357     .0085
O23     .1347   .6220  .10101     .0160
O24     .7861   .3333 -.09712     .0133
O25     .7441   .4243  .40206     .0135
O26     .9338   .4226 -.38092     .0107
O27     .2078  -.2567  .43725     .0128
O28     .4160  -.0399  .35359     .0057
O29     .6307   .4298  .46454     .0109
O30     .8377   .4021  .08442     .0148
O31     .3977   .2575  .72980     .0137
O32     .5981   .2696  .53140     .0069
O33     .9434   .4199  .19349     .0152
O34     .1758   .3383  .50052     .0132
O35     .0574   .2412   .4292     .0179
O36     .8353   .0808 -.28988     .0135
O37     .3520   .2357  .12195     .0090
O38     .1340  -.0858  .45503     .0131
O39     .0851  -.1569  .36618     .0097
O40     .8293   .4406  .25769     .0185
O41     .3866   .3306  .30186     .0152
O42     .6666   .2286 -.16624     .0130
O43     .7689   .3374  .17650     .0107
O44     .8135  -.0357 -.04471     .0092
O45     .4444   .0971  .68327     .0084
O46     .5009   .5439  .25249     .0112
O47     .1578   .2407  .32789     .0115
O48    -.0884   .4744  .36085     .0075
O49     .8645   .0941  .30139     .0110
O50     .6288   .4081  .28293     .0189
O51     .3378   .3751  .39965     .0132
O52     .6046  -.0526  .14860     .0077
O53     .4929   .2449  .62732     .0091
O54     .4478   .3950  .48267     .0113
O55     .0191  -.0951  .18236     .0109
O56     .7273   .0740  .35189     .0165
O57     .9993   .3346 -.29549     .0156
O58     .0016   .2712  .13359     .0173
O59     .2438   .5963   .1838     .0180
O60     .9263   .1256 -.03436     .0101
O61     .7335   .3806  .00169     .0145
O62     .3376   .1147  .57543     .0102
O63     .4549   .2504  .02053     .0125
O64     .8187   .1026 -.11683     .0109
O65     .8467   .5405  .01414     .0141
O66     .0164   .0390  .25565     .0072
O67     .8090   .2509  .34555     .0133
O68     .5727   .3234  .09851     .0163
O69     .2475   .4604  .11107     .0136
O70     .4522   .5346  .41105     .0148
O71     .6598   .5557  .21891     .0131
O72    -.0751   .6144  .29081     .0157
O73     .3314   .0832  .74857     .0130
O74     .3450   .4189  .21420     .0134
O75     .4315   .4180  .65766     .0096
O76     .7170   .1038  .17244     .0090
O77     .2364   .0675  .30558     .0068
O78     .0455   .6191  .36917     .0141
O79     .5492   .4019  .19203     .0189
O80     .9105   .2658  .24579     .0170
O81     .1299   .4240  .41313     .0127
O82     .2208   .1147  .49404     .0180
O83     .5201   .0974  .55388     .0071
O84     .2665   .1623  .66292     .0071
O85    -.0765   .1028  .15428     .0186
O86     .1288  -.1220  .26605     .0077
O87     .0468   .4610  .30830     .0112
O88     .4382   .0581  .11045     .0037
O89     .3506  -.0275  .50570     .0124
O90     .1575   .0324  .20642     .0097
O91     .7082   .2569  .44322     .0159
O92    -.1212   .1644  .06483     .0113
O93     .7692   .2541 -.26036     .0133
O94     .4276   .0946  .28069     .0133
O95     .5406   .4294  .01605     .0055
O96     .5218   .0714 -.03358     .0055
O97     .5284   .1185  .36695     .0096
O98    -.0001   .4053  .46792     .0081
O99     .4027   .4079  .06671     .0096
O100    .0979   .8463  .09005     .0180
O101    .6967   .1581 -.01362     .0129
O102    .7318   .0802 -.22270     .0116
O103    .9531  -.0296  -.0935     .0181
O104    .6349   .0694 -.09713     .0077
O105    .6104   .4017 -.13406     .0114
O106    .3183   .0772  .17134     .0112
O107    .1241   .0736  .36999     .0117
O108    .9177   .9237  .07648     .0139
O109    .6867   .1697  .26900     .0122
O110    .9147   .1551 -.20436     .0138
O111    .2092   .4018  .26655     .0084
O112    .4951   .1667  .18886     .0138
O113    .3019   .1508  .38952     .0116
O114    .8158   .4044 -.32021     .0129
O115    .0183   .9365  .00970     .0117
O116    .5602  -.0384  .30651     .0065
O117    .6384   .0874  .08163     .0131
O118    .8662   .2417  -.3630     .0181
O119    .7632  -.0443  .11237     .0169
O120    .2656   .2389  .23025     .0213
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Manitobaite
 
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
 
The Canadian Mineralogist 49 (2011) 1221-1242
The crystal structure and crystal chemistry of manitobaite,
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
Note: brown sample
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0018619
13.4499 12.5046 26.6148 90 101.221 90 Pc
atom         x        y        z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mn1    .275289  .488393  .535181     .01113 .00980 .01328 .01084 -.00104  .00330  .00029
Mn2    .084665  .511012  .235879     .00369 .00533 .00499 .00107 -.00011  .00140 -.00087
Mn3    .388493  .013166  .429833     .00539 .00481 .00521 .00637  .00017  .00163 -.00085
Mn4    .039362  .253828 -.212158     .01915 .01595 .01367 .02879 -.00095  .00670 -.00128
Mn5    .223740  .247211  .577391     .01022 .00467 .00353 .02546 -.00087  .01037  .00149
Mn6    .875860  .487213 -.063037     .01339 .01544 .01344 .01058  .00100  .00072  .00222
Mn7    .434902  .248667  .381585     .01324 .00891 .00537 .02676  .00347  .00673 -.00044
Mn8    .829743  .252777 -.016628     .01397 .01060 .00878 .02342 -.00442  .00548 -.00223
Mn9    .180012 -.011333  .131105     .01787 .02006 .01786 .01454  .00237  .00056 -.00111
Mn10  -.010780 -.011785  .331872     .00716 .00968 .00604 .00530 -.00298  .00031 -.00163
Fe1    .198527  .398349  .346680     .00923 .01055 .00785 .01027  .00015  .00443  .00096
Fe2    .597455  .397580 -.054478     .01133 .01370 .00906 .01114  .00164  .00220  .00369
Fe3    .992960  .603527  .048612     .00666 .00884 .00822 .00242 -.00084 -.00016  .00048
Fe4    .494370  .091271  .041046     .01080 .01047 .01141 .00978 -.00159  .00012 -.00172
Fe5    .770588  .409639  .326560     .00609 .00569 .00867 .00423  .00026  .00179  .00209
Fe6    .066056 1.102577  .020953     .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107
Fe7    .270389  .103308 -.181010     .01067 .01118 .00626 .01427 -.00039  .00170  .00035
Fe8    .667519 -.101813 -.079244     .00492 .00483 .00498 .00521  .00122  .00162  .00600
FeX1   .171047  .585961  .423389 .70 .00874 .00863 .00789 .00931 -.00083  .00080  .00057
AlX1   .171047  .585961  .423389 .30 .00874 .00863 .00789 .00931 -.00083  .00080  .00057
FeX2   .093311  .085168  .445086 .62 .00632 .00695 .00657 .00507 -.00095  .00026  .00043
AlX2   .093311  .085168  .445086 .38 .00632 .00695 .00657 .00507 -.00095  .00026  .00043
MnM1   .398564  .393158  .145179 .50 .01428 .01842 .01422 .00902  .00064 -.00023  .00306
FeM1   .398564  .393158  .145179 .50 .01428 .01842 .01422 .00902  .00064 -.00023  .00306
FeM2   .866058  .107348  .221745 .50 .00586 .00604 .00601 .00559  .00094  .00132 -.00404
MnM2   .866058  .107348  .221745 .50 .00586 .00604 .00601 .00559  .00094  .00132 -.00404
CaY1    .62967   .25097  .177303 .66 .01998 .00856 .00898 .04212 -.00099  .00423 -.00124
MnY1    .62967   .25097  .177303 .34 .01998 .00856 .00898 .04212 -.00099  .00423 -.00124
CaZ1   .487283  .484311  .333293 .16 .00866 .00867 .00938 .00742 -.00409  .00033  .00348
MnZ1   .487283  .484311  .333293 .84 .00866 .00867 .00938 .00742 -.00409  .00033  .00348
CaZ2   .777816   .01746  .033332 .27 .01491 .01880 .01330 .01183  .00056  .00104 -.00055
MnZ2   .777816   .01746  .033332 .73 .01491 .01880 .01330 .01183  .00056  .00104 -.00055
Na1     .59115   .01595  .229211 .61 .00749
Ca1     .59115   .01595  .229211 .39 .00749
Na2     .67392   .48572  .137898 .64 .01596
Ca2     .67392   .48572  .137898 .36 .01596
Na3     .77758   .72828   .04320 .83 .02469
Na4     .27766   .23226   .03604     .02821
Na5     .17900   .26727   .13857 .64  .0327
Na6     .88371   .77215  -.06119     .02042
Na7     .32368   .25332   .47543     .01254
Na8     .53007   .24815   .27562 .90 .01437
Na9     .38295  -.27238   .43047 .91 .02453
Na10    .12781   .74978   .17951     .01491
Na11    .98501   .27302   .33573 .80 .02071
Na12    .48787   .22765  -.17178 .90 .02836
Na13    .08484   .22981   .23605 .66  .0242
Na14    .72461   .25403   .07985 .81 .01986
Na15    .93188   .24718  -.11657 .92 .01751
Na16A   .59083   .25046  -.28804 .35  .0245
Na16B   .67976   .24262   .64754 .53  .0495
Al1     .79342   .40049 -.250217 .75 .01107
Fe1     .79342   .40049 -.250217 .25 .01107
Al2     .69418   .08221 -.157387 .90 .01052
Fe2     .69418   .08221 -.157387 .10 .01052
Al3     .57235   .41914  .525267     .00351
Al4     .47268  -.09917  .117278 .80 .00208
Fe4     .47268  -.09917  .117278 .20 .00208
Al5     .37424   .59111  .221204 .85 .00431
Fe5     .37424   .59111  .221204 .15 .00431
Al6     .96999   .41537  .125472 .65 .00488
Fe6     .96999   .41537  .125472 .35 .00488
Al7    -.10993  -.09204  .146562 .60 .01560
Fe7    -.10993  -.09204  .146562 .40 .01560
Al8     .29549   .08434  .242488 .55 .01013
Fe8     .29549   .08434  .242488 .45 .01013
P1      .40451   .13325  .149780     .00270
P2      .70158   .34239 -.146100     .00683
P3      .30326   .34825  .254888     .01117
P4      .60296   .13651 -.053852     .00400
P5      .09267   .35153  .453335     .00817
P6      .38566   .46182  .438171     .00596
P7      .20642   .13427  .350232     .00983
P8      .05772   .36556  .019263     .00412
P9      .26631   .36545 -.183968     .00297
P10     .18281   .53312  .137842     .00137
P11    -.01870   .53721  .334166     .00215
P12     .49317   .35141  .051195     .00500
P13     .86100   .36353  .218308     .01234
P14     .78064   .46884  .039804     .00417
P15     .58530   .47681  .236910     .00742
P16     .56115   .15930  .512140     .00521
P17     .90598   .35024 -.338620     .00485
P18     .35949   .15185  .706162     .00834
P19     .17135  -.14968  .414128     .00700
P20     .45191   .35655  .611792     .00828
P21     .81359   .14265 -.244013     .00365
P22     .28070   .03746  .533001     .01142
P23    -.03808   .15713  .112944     .00717
P24     .99974   .86526  .052822     .01038
P25     .66273   .36195  .422512     .00906
P26     .07963  -.03521  .228426     .01205
P27     .48299   .03191  .328111     .00939
P28     .77105   .15108  .315770     .00953
P29     .87654   .03654 -.071562     .00686
P30     .67863   .02137  .129560     .00855
O1      .21674  -.03608   .55823     .00800
O2      .30747   .52669   .45980     .00884
O3      .55305   .24152  -.07716     .00662
O4      .13792   .42569  -.00332      .0156
O5      .26556  -.09814   .39878      .0161
O6      .02764   .43360   .06233     .01349
O7      .56643   .34517   .37922     .00524
O8      .30991   .26048  -.16335     .01285
O9      .10025   .25998   .03795     .01167
O10     .96005   .35101  -.02412     .00439
O11     .05505   .09923   .10029     .01215
O12     .10441   .46673   .15967     .00723
O13     .95140   .75988   .02974     .01015
O14     .65420   .10117   .50142     .01293
O15     .16566   .34821  -.22387     .00663
O16     .34273   .41832  -.21353      .0158
O17     .74498   .40956  -.18626     .00833
O18     .35094   .34781   .57111     .00242
O19     .52839   .41795   .58836     .00889
O20     .69992   .53628   .05839     .01143
O21     .24399   .43814  -.14169     .01137
O22     .47675   .16285   .46343     .01086
O23     .13444   .62318   .10132      .0145
O24     .78532   .33406  -.09730     .01150
O25     .74106   .42447   .40152      .0167
O26     .93476   .42518  -.38113     .00639
O27     .20255  -.25660   .43799     .01348
O28     .41603  -.03911   .35302     .00676
O29     .62840   .42879   .46387     .01291
O30     .83757   .40431   .08445      .0160
O31     .39359   .25942   .72939      .0148
O32     .59542   .26980   .53243     .00873
O33     .94045   .41976   .19318      .0153
O34     .17881   .33998   .50054     .01211
O35     .05775   .23797   .43070      .0172
O36     .83398   .07894  -.29107     .00786
O37     .35373   .23522   .12187     .00944
O38     .13296  -.08505   .45456     .01144
O39     .08643  -.15824   .36562     .00984
O40     .82687   .44146   .25733      .0181
O41     .38564   .33355   .30288      .0154
O42     .66691   .22807  -.16540     .01098
O43     .76580   .34054   .17681     .01007
O44     .81219  -.03374  -.04447     .01054
O45     .44443   .09943   .68411     .00792
O46     .50033   .54248   .25414     .01367
O47     .15971   .24161   .32926     .01223
O48    -.09081   .47377   .36042     .00991
O49     .86311   .09522   .30078      .0157
O50     .62893   .41009   .28331      .0185
O51     .33591   .37573   .40039     .01245
O52     .60487  -.05228   .14905     .01168
O53     .49222   .24690   .62693     .00701
O54     .44568   .39669   .48218     .01333
O55     .02075  -.09473   .18161      .0162
O56     .72680   .07864   .35170      .0183
O57     .99830   .33464  -.29590     .01162
O58    -.00538   .26714   .13345      .0171
O59     .24299   .59459   .18395     .00918
O60     .92641   .12551  -.03418     .00932
O61     .73557   .38117   .00046     .01432
O62     .33624   .11596   .57466     .01071
O63     .45508   .24769   .02116      .0178
O64     .81893   .10055  -.11790     .00770
O65     .84668   .54479   .01315     .01240
O66     .01658   .03671   .25543     .01057
O67     .80800   .25312   .34477     .01258
O68     .57329   .32516   .09826      .0152
O69     .24755   .45956   .11058     .00754
O70     .44955   .53859   .41109     .01040
O71     .65900   .55698   .21859     .00892
O72    -.07492   .61498   .29190      .0135
O73     .33097   .08621   .74854     .01115
O74     .34429   .42177   .21548      .0146
O75     .42731   .41867   .65698     .01288
O76     .71743   .10078   .17361     .00970
O77     .23472   .06822   .30574     .00835
O78     .04399   .61567   .37223     .01322
O79     .54787   .39828   .19414      .0222
O80     .90513   .26569   .24341      .0202
O81     .13094   .42505   .41315     .01287
O82     .22005   .11377   .49369      .0182
O83     .52108   .09972   .55400     .00873
O84     .26508   .16070   .66199     .00867
O85    -.08032   .09769   .15288      .0139
O86     .12953  -.12225   .26584     .00674
O87     .04835   .45882   .30885     .00978
O88     .43619   .05660   .10980     .00436
O89     .35092  -.02842   .50509     .00869
O90     .16076   .03474   .20832     .01193
O91     .70690   .25683   .44061      .0194
O92    -.12272   .16204   .06349     .01157
O93     .76983   .25342  -.26072      .0152
O94     .42531   .09673   .28182     .01164
O95     .53982   .42982   .01535     .00229
O96     .52061   .07131  -.03253     .00336
O97     .52904   .11732   .36690     .00860
O98    -.00115   .40579   .46737     .00596
O99     .39952   .40659   .06559     .00634
O100    .09993   .84941   .09008     .01351
O101    .69617   .15663  -.01354      .0191
O102    .73065   .07875  -.22295     .00779
O103    .95583  -.03388  -.09308     .01104
O104    .63384   .06660  -.09710     .00571
O105    .60822   .40277  -.13401     .01022
O106    .31936   .07558   .17254     .00563
O107    .12350   .07310   .37180     .00918
O108    .91868   .92445   .07651     .00671
O109    .68989   .17131   .26779      .0193
O110    .91405   .15518  -.20477      .0152
O111    .20808   .40305   .26748     .01288
O112    .49662   .16456   .18931      .0166
O113    .30233   .14815   .38997      .0151
O114    .81511   .40349  -.31995      .0142
O115    .02269   .93559   .00856     .01119
O116    .56112  -.03936   .30709     .00565
O117    .63717   .08731   .08159      .0147
O118    .86856   .24001  -.36275     .01258
O119    .76211  -.04835   .11325     .01068
O120    .26863   .23497   .23250      .0172
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Billwiseite
 
Hawthorne F C, Cooper M A, Ball N A, Abdu Y A, Cerny P, Camara F, Laurs B M
 
The Canadian Mineralogist 50 (2012) 805-814
Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species
from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan:
description and crystal structure
Locality: the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan
_database_code_amcsd 0019765
54.116 4.9143 5.5482 90 90.425 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)
Sb1       0   .1983    .75     .0139  .0115  .0087  .0214      0   .0062      0
Sb2  .22152 -.20656 .32554     .0132  .0161  .0103  .0133 -.0056   .0035 -.0012
Sb3  .10997  .29999 .72606     .0129  .0126  .0096  .0163 -.0035  -.0049  .0014
NbM1 .05480  .25442 .13172 .33 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
TaM1 .05480  .25442 .13172 .32 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
TiM1 .05480  .25442 .13172 .04 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
WM1  .05480  .25442 .13172 .31 .0084  .0060  .0074  .0116 -.0006   .0003 -.0003
NbM2 .16463  .23919 .37332 .33 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
TaM2 .16463  .23919 .37332 .32 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
TiM2 .16463  .23919 .37332 .04 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
WM2  .16463  .23919 .37332 .31 .0075  .0062  .0069  .0093  .0007 -.00038  .0003
O1   .12890    .413  .4089      .012   .002   .013   .020   .001   -.002   .001
O2   .02086    .087  .0867      .011   .005   .014   .015  -.002   -.002  -.002
O3   .06472    .013  .3665      .013   .008   .013   .017   .000    .002   .010
O4   .23860    .068  .1263      .012   .005   .017   .013  -.006   -.004   .001
O5   .08747   .4130  .0794      .010   .006   .008   .015  -.005    .002   .002
O6   .15095   .0356  .6676      .011   .011   .006   .017   .000   -.003   .002
O7   .19594    .085  .4244      .013   .012   .012   .015   .001    .001  -.002
O8   .17287    .521  .6311      .016   .012   .016   .020   .000   -.002  -.006
O9   .04268    .477  .8372      .013   .008   .017   .015   .002   -.002   .007
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Schullerite
 
Sokolova E, Hawthorne F C, Abdu Y A
 
The Canadian Mineralogist 51 (2013) 715-72
From structure topology to chemical composition. XV. Titanium silicates:
revision of the crystal structure and chemical formula of schullerite,
Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany
Locality: Eifel volcanic region, Germany
_database_code_amcsd 0020054
5.396 7.071 10.226 99.73 99.55 90.09 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)
TiMH    .31624  .29918  .70911 .835 .00764 .00608 .00731 .00961 .00015  .00141 .00162
Fe3+MH  .31624  .29918  .70911 .105 .00764 .00608 .00731 .00961 .00015  .00141 .00162
NbMH    .31624  .29918  .70911 .045 .00764 .00608 .00731 .00961 .00015  .00141 .00162
ZrMH    .31624  .29918  .70911  .01 .00764 .00608 .00731 .00961 .00015  .00141 .00162
AlMH    .31624  .29918  .70911 .005 .00764 .00608 .00731 .00961 .00015  .00141 .00162
Si1     .18162  .41608  .27263      .00858  .0082  .0068  .0108 .00025  .00191 .00163
Si2     .17716  .97192  .27515      .00823  .0076  .0070  .0102 .00044  .00153 .00183
BaAP    .27134  .76552  .56608 .785 .00990 .00889 .00793 .01328 .00053  .00245 .00234
SrAP    .27134  .76552  .56608  .07 .00990 .00889 .00793 .01328 .00053  .00245 .00234
KAP     .27134  .76552  .56608  .07 .00990 .00889 .00793 .01328 .00053  .00245 .00234
MgMO1   .25709  .11913  .99788 .395 .01566  .0199  .0129  .0137 -.0020  .00105  .0028
Fe2+MO1 .25709  .11913  .99788 .355 .01566  .0199  .0129  .0137 -.0020  .00105  .0028
NaMO1   .25709  .11913  .99788 .165 .01566  .0199  .0129  .0137 -.0020  .00105  .0028
Fe3+MO1 .25709  .11913  .99788 .085 .01566  .0199  .0129  .0137 -.0020  .00105  .0028
NaMO2   .24601 -.37376 -.00081  .55 .01901  .0134  .0175  .0242  .0004 -.00166  .0028
CaMO2   .24601 -.37376 -.00081 .215 .01901  .0134  .0175  .0242  .0004 -.00166  .0028
MnMO2   .24601 -.37376 -.00081  .15 .01901  .0134  .0175  .0242  .0004 -.00166  .0028
Fe2+MO2 .24601 -.37376 -.00081 .085 .01901  .0134  .0175  .0242  .0004 -.00166  .0028
O1       .0475  1.0985  .65434       .0118  .0086  .0093  .0182 -.0014   .0035  .0028
O2       .1185   .9202  .11411       .0203  .0200  .0291  .0112  .0038   .0016  .0030
O3      -.0473   .5214  .33847       .0126  .0098  .0100  .0187  .0025   .0037  .0033
O4       .4457   .8997  .34327       .0114  .0086  .0095  .0158  .0020   .0011  .0021
O5       .8030   .7921  .67156       .0146  .0138  .0067  .0245  .0006   .0045  .0047
O6       .4491   .5233  .34310       .0125  .0095  .0093  .0192 -.0014   .0024  .0036
O7       .1379   .3824  .11218       .0224  .0253  .0299  .0114 -.0016   .0042  .0011
OXOM     .3699   .3312  .88348       .0215  .0189  .0301  .0159  .0023   .0061  .0016
FXOA     .3874   .8679  .88901       .0332  .0283  .0445  .0267 -.0070   .0063  .0045
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Wopmayite
 
Cooper M A, Hawthorne F C, Abdu Y A, Ball N A, Ramik R A, Tait K T
 
The Canadian Mineralogist 51 (2013) 93-106
Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from
the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure
Locality: the Tanco Mine, Bernic Lake, Manitoba, Canada
_database_code_amcsd 0019803
10.3926 10.3926 37.1694 90 90 120 R3c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mn2+M     0      0      0 .56 .00901  .0090  .0090  .0090 .00450       0       0
Fe3+M     0      0      0 .11 .00901  .0090  .0090  .0090 .00450       0       0
Fe2+M     0      0      0 .14 .00901  .0090  .0090  .0090 .00450       0       0
MgM       0      0      0 .11 .00901  .0090  .0090  .0090 .00450       0       0
AlM       0      0      0 .08 .00901  .0090  .0090  .0090 .00450       0       0
Ca1  .28367 .14635 .56677 .97 .01148  .0127  .0114  .0114  .0069 -.00174 -.00247
Na1  .28367 .14635 .56677 .03 .01148  .0127  .0114  .0114  .0069 -.00174 -.00247
Ca2  .39191 .18197 .76755 .95 .01160  .0120  .0105  .0123  .0056 -.00306 -.00080
Na2  .39191 .18197 .76755 .05 .01160  .0120  .0105  .0123  .0056 -.00306 -.00080
Ca3  .28110 .14942 .67411 .59  .0292  .0422  .0273  .0288  .0255  -.0157  -.0129
Na3  .28110 .14942 .67411 .41  .0292  .0422  .0273  .0288  .0255  -.0157  -.0129
P1   .31498 .14281 .86592     .00993  .0104  .0103  .0100  .0059  -.0001   .0001
P2   .35226 .15731 .96824     .01012  .0103  .0106  .0097  .0054   .0006   .0010
P3        0      0 .75840 .85  .0108  .0088  .0088  .0148  .0044       0       0
P4        0      0  .7335 .15  .0108  .0088  .0088  .0148  .0044       0       0
NaX       0      0  .8136 .20    .11   .065   .065    .19   .033       0       0
O1    .2707  .0955 .82566 .80  .0188  .0211  .0267  .0093  .0124  -.0009  -.0017
OH1   .2707  .0955 .82566 .20  .0188  .0211  .0267  .0093  .0124  -.0009  -.0017
O2    .2430  .2298 .87911      .0200  .0258  .0264  .0190  .0214   .0023  -.0000
O3    .2717  .0003 .88666      .0141  .0148  .0118  .0127  .0044   .0009   .0020
O4    .4854  .2409 .86853      .0161  .0127  .0131  .0210  .0053   .0005   .0008
O5    .3979  .0463 .95471      .0182  .0233  .0229  .0149  .0165   .0010  -.0016
O6    .4170  .3017 .94682      .0213  .0256  .0148  .0193  .0071   .0036   .0075
O7    .1808  .0807 .96383      .0144  .0131  .0146  .0161  .0075  -.0018  -.0016
O8    .3998  .1948 .00773      .0175  .0220  .0191  .0125  .0112  -.0036  -.0004
OH9       0      0  .8022 .85  .0245   .026   .026   .022  .0128       0       0
O10  -.0165  .1312 .74664      .0195  .0194  .0127  .0288  .0098   .0072   .0048
O11       0      0  .6931 .15   .034
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Legrandite
Download hom/legrandite.pdf
Hawthorne F C, Abdu Y A, Tait K T
 
The Canadian Mineralogist 51 (2013) 233-241
Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0020158
12.8052 7.9249 10.2173 90 104.4329 90 P2_1/c
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Zn(1) .40327 .04976 .38962 .01127 .01089 .01209 .01040  .00177 .00185  .00014
Zn(2) .25255 .33083 .46242 .01033 .01025 .00927 .01152  .00041 .00282 -.00071
Zn(3) .36202 .80578 .12765 .01284 .01449 .01042 .01209 -.00093 .00046  .00182
Zn(4) .01007 .24192 .44038 .01313 .01113 .01557 .01250 -.00091 .00259 -.00073
As(1) .14963 .05491 .21980 .00768 .00802 .00822 .00689 -.00007 .00203 -.00034
As(2) .38529 .42165 .21410 .00770 .00833 .00779 .00740  .00002 .00278  .00019
O(1)  .26801  .9532 .26147  .0127  .0100  .0124  .0145   .0030  .0005  -.0022
O(2)  .13880  .1602 .07322  .0121  .0108  .0165  .0094   .0021  .0035   .0049
O(3)  .13303  .1895 .34154  .0128  .0114  .0152  .0127  -.0019  .0047  -.0065
O(4)  .04897  .9126 .20262  .0132  .0133  .0137  .0127  -.0049  .0036  -.0023
O(5)  .47910  .9513 .24071  .0131  .0090  .0164  .0129   .0020  .0012  -.0043
O(6)  .35330  .3422 .05675  .0141  .0178  .0168  .0085  -.0080  .0047  -.0037
O(7)  .34595  .2901 .31982  .0120  .0151  .0102  .0131   .0009  .0078   .0034
O(8)  .32021  .6062 .21800  .0157  .0220  .0096  .0193   .0051  .0124   .0037
O(9)  .07895  .5313  .1396  .0238  .0233  .0217  .0290   .0059  .0117   .0092
O(10) .44584  .6626 .01455  .0118  .0128  .0112  .0116   .0003  .0037   .0002
O(11) .27353  .5767 .46950  .0119  .0141  .0111  .0108  -.0024  .0040  -.0009
O(12) .08807  .7338  .4346  .0219  .0199  .0294  .0193   .0090  .0101   .0088
H(1)    .461   .748  -.047    .05
H(2)    .267   .622   .379    .05
H(3)   .1576   .543   .163    .05
H(4)    .054   .468   .208    .05
H(5)    .060   .774  .3417    .05
H(6)    .150   .659   .444    .05
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Yofortierite
Download hom/yofortierite.pdf
Hawthorne F C, Abdu Y A, Tait K T, Back M E
 
The Canadian Mineralogist 51 (2013) 243-251
The crystal structure of yofortierite
Locality: Poudrette Quarry, Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0019873
14.1686 17.8583 5.2919 90 105.878 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)
Si1   .29667 .41441 .02119      .0139  .0204  .0104  .0120 -.0012  .0064 -.0003
Si2   .29544 .33245 .52172      .0150  .0233  .0110  .0112 -.0015  .0056 -.0010
Mn1       .5     .5      0  .57 .0147  .0209  .0132  .0108      0  .0059      0
Mg1       .5     .5      0  .43 .0147  .0209  .0132  .0108      0  .0059      0
Al2       .5 .41128     .5 .005 .0171  .0194  .0208  .0115      0  .0051      0
Ti2       .5 .41128     .5  .01 .0171  .0194  .0208  .0115      0  .0051      0
Fe2       .5 .41128     .5  .11 .0171  .0194  .0208  .0115      0  .0051      0
Mn2       .5 .41128     .5 .635 .0171  .0194  .0208  .0115      0  .0051      0
Zn2       .5 .41128     .5 .055 .0171  .0194  .0208  .0115      0  .0051      0
Mg2       .5 .41128     .5 .015 .0171  .0194  .0208  .0115      0  .0051      0
Ca3       .5 .31362      0  .09 .0183  .0229  .0192  .0124      0  .0040      0
Mn3       .5 .31362      0  .63 .0183  .0229  .0192  .0124      0  .0040      0
Mg3       .5 .31362      0  .28 .0183  .0229  .0192  .0124      0  .0040      0
O1    .41446 .40991  .1074      .0177  .0211  .0160  .0171 -.0013  .0070 -.0020
O2     .4124 .33161  .6084      .0238  .0258  .0303  .0155  .0051  .0058 -.0031
O3       .25    .25     .5      .0316   .058  .0134   .025 -.0124  .0132 -.0017
O4     .5754     .5  .3966  .67 .0208  .0252  .0191  .0189      0  .0075      0
Wat4   .5754     .5  .3966  .33 .0208  .0252  .0191  .0189      0  .0075      0
O5     .2572     .5  .0070      .0212  .0272  .0131  .0236      0  .0076      0
O6    .25093 .37121  .2329      .0190  .0242  .0183  .0155 -.0003  .0074  .0047
O7     .2514 .37756  .7334      .0200  .0263  .0201  .0141 -.0021  .0066 -.0053
Wat8   .4065  .2306  .1033      .0506   .052   .052   .047 -.0185  .0121  .0045
Wat9   .5776      0   .276  .82  .160   .128   .145    .25      0   .122      0
Wat10     .5  .1261     .5  .82  .088   .089   .074   .085      0  -.003      0
H      .6472     .5   .456  .67   .07
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Saamite
 
Camara F, Sokolova E, Abdu Y A, Hawthorne F C
 
The Canadian Mineralogist 52 (2014) 745-761
Saamite, Ba[]TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)2, a group-III Ti-disilicate mineral from the
Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure
Locality: Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0020471
5.437 7.141 21.69 92.97 96.07 90.01 P-1
atom      x      y      z occ  Uiso
Ba1   .7617 .75515 .03112 .61 .0090
Sr1   .7617 .75515 .03112 .20 .0090
K1    .7617 .75515 .03112 .13 .0090
Na1   .4967  .2873  .2303 .81  .022
Na2  -.0011  .0298  .2302 .72 .0208
Mn2  -.0011  .0298  .2302 .26 .0208
Fe1  -.0011  .0298  .2302 .02 .0208
Na3  -.0017  .5431  .2303 .69 .0211
Mn3  -.0017  .5431  .2303 .29 .0211
Fe2  -.0017  .5431  .2303 .02 .0211
Nb1   .1981  .3080  .3700 .55 .0141
Ti1   .1981  .3080  .3700 .45 .0141
Ti2   .7906  .2659 .09441 .87 .0079
Nb2   .7906  .2659 .09441 .12 .0079
Al1   .7906  .2659 .09441 .01 .0079
Ti3   .5074  .7857 .22492 .77 .0204
Mn1   .5074  .7857 .22492 .13 .0204
Nb3   .5074  .7857 .22492 .09 .0204
Mg1   .5074  .7857 .22492 .01 .0204
Ca1    .209   .819  .3906 .26  .021
Si1   .6908  .0189  .3555     .0190
Si2   .6913  .5935  .3555     .0192
Si3   .2937  .9828 .10040     .0077
Si4   .2931  .5519 .10030     .0085
O1     .660 -.0024  .2805      .016
O2     .458   .119  .3843      .035
O3     .707  .8080  .3852      .030
O4     .953   .120  .3824      .037
O5     .659  .5913  .2810      .017
O6     .459   .500  .3831      .041
O7     .953   .503  .3812      .040
O8     .322  .9835  .1745      .014
O9    .5277  .0732  .0715      .011
O10   .0359  .0737  .0717      .011
O11    .279  .7623  .0705      .012
O12    .324  .5718  .1747      .016
O13   .0350  .4513  .0717      .010
O14   .5248  .4457  .0717      .010
O15    .167   .291  .2871      .031
O16    .829  .2789  .1730      .018
OH17   .762  .7783  .1754 .63  .021
F1     .762  .7783  .1754 .37  .021
OH18   .215   .790  .2783 .63  .025
F2     .215   .790  .2783 .37  .025
Wat19  .238   .330  .4792      .056
Wat20  .249   .742  .4956 .75  .053
Wat21   .25    .86   .432 .25   .05
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Ferro-ferri-nyboite
 
Lussier A J, Hawthorne F C, Abdu Y A, Ball N A, Tait K T, Back M E, Steede A H,
Taylor R, McDonald A M
 
The Canadian Mineralogist 52 (2015) 1019-1026
Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from
Mont Saint-Hilaire, Quebec, Canada: description and crystal structure
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0020466
9.9190 18.0885 5.3440 90 103.813 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)
Si1   .27830 .08604 .29111 .8525 .00703  .0079  .0062  .0065  .0001  .0009  .0002
Al1   .27830 .08604 .29111 .1475 .00703  .0079  .0062  .0065  .0001  .0009  .0002
Si2   .28889 .17093 .80075       .00808  .0081  .0084  .0079 -.0011  .0021 -.0002
Fe1        0 .09148     .5  .895 .01009  .0118  .0102  .0086      0 .00319      0
Mn1        0 .09148     .5  .105 .01009  .0118  .0102  .0086      0 .00319      0
Fe2+2      0 .18347      0   .33 .00791  .0082  .0069  .0088      0 .00238      0
Fe3+2      0 .18347      0   .64 .00791  .0082  .0069  .0088      0 .00238      0
Ti2        0 .18347      0   .03 .00791  .0082  .0069  .0088      0 .00238      0
Fe3        0      0      0    .8  .0091  .0116  .0069  .0085      0  .0017      0
Mn3        0      0      0    .1  .0091  .0116  .0069  .0085      0  .0017      0
Zn3        0      0      0   .01  .0091  .0116  .0069  .0085      0  .0017      0
Mg3        0      0      0   .06  .0091  .0116  .0069  .0085      0  .0017      0
Na4        0 .27795     .5  .915  .0167  .0203  .0130  .0210      0  .0134      0
Ca4        0 .27795     .5  .085  .0167  .0203  .0130  .0210      0  .0134      0
NaA2       0  .5127      0 .1133  .0171
KA2        0  .5127      0  .045  .0171
NaAm   .0368     .5   .091 .1133  .0171
KAm    .0368     .5   .091  .045  .0171
NaAm2   .085     .5   .160 .1133  .0171
KAm2    .085     .5   .160  .045  .0171
O1     .1096 .09085  .2069        .0102  .0097  .0119  .0086 -.0012  .0016 -.0006
O2    .12071 .17298  .7349        .0108  .0093  .0113  .0113  .0002  .0012 -.0013
O3     .1099      0  .7074   .79  .0221  .0227  .0216  .0218      0  .0046      0
F3     .1099      0  .7074   .21  .0221  .0227  .0216  .0218      0  .0046      0
O4     .3650 .24827  .7975        .0134  .0165  .0111  .0141 -.0054  .0064 -.0019
O5     .3476 .12845  .0800        .0145  .0125  .0185  .0125  .0007  .0029  .0056
O6     .3394 .11873  .5821        .0143  .0132  .0165  .0133 -.0003  .0034 -.0056
O7     .3327      0  .2940        .0155  .0134  .0098  .0221      0  .0023      0
H       .213      0   .754   .79 .01500
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Davidlloydite
 
Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T
 
Mineralogical Magazine 76 (2012) 45-57
Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral
from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia:
description and crystal structure
Locality: Tsumeb, Namibia
_database_code_amcsd 0018665
5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 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)
Zn1       0     .5     .5  .6 .01224 .01425 .01053 .01178 .00005  .00126 -.00034
Cu1       0     .5     .5  .4 .01224 .01425 .01053 .01178 .00005  .00126 -.00034
Zn2  .23922 .10407 .81081     .01226 .01204 .01445 .01032 .00121 -.00006 -.00186
As   .25896 .87032 .33696     .00916 .00945 .00940 .00869 .00002  .00025 -.00125
O1    .4813  .7644  .2259      .0153  .0119  .0140  .0204  .0007   .0037  -.0045
O2    .2996  .8972  .6354      .0146  .0200  .0144  .0096  .0007  -.0011  -.0027
O3    .0271  .7464  .3144      .0128  .0103  .0120  .0157 -.0014  -.0012   .0002
O4    .1952  .0630  .1674      .0145  .0209  .0116  .0105  .0015  -.0006   .0010
O5    .2229  .4010  .2726      .0181  .0253  .0134  .0155  .0009   .0037  -.0007
O6    .2711  .5420  .7834      .0208  .0190  .0162  .0270 -.0009   .0031  -.0008
H1     .211  .2762   .245       .039
H2     .232   .453   .101       .056
H3     .413   .481   .748       .058
H4     .325   .662   .791       .059
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Ianbruceite
 
Cooper M A, Abdu Y A, Ball N A, Hawthorne F C, Back M E, Tait K T, Schluter J,
Malcherek T, Pohl D, Gebhard G
 
Mineralogical Magazine 76 (2012) 1119-1131
Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from
the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0019546
11.793 9.1138 6.8265 90 103.859 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)
As1  .36080 .91756  .0952      .0189  .0380  .0106  .0089  .0004  .0073 -.0008
As2    .806   .777   .492 .048  .004
As3    .778   .686   .484 .031  .011
Zn1   .6179  .0413  .4016      .0208  .0387  .0120  .0129  .0015  .0083 -.0005
Zn2   .6059  .7591  .1490      .0235  .0398  .0198  .0124 -.0003  .0093 -.0051
O1    .4319  .7571  .0969       .017   .020   .015   .017   .004   .006   .001
Wat2  .7964  .0882  .5118       .030   .009   .045   .030  -.002  -.003   .027
O3    .2201  .8861   .081       .032   .022   .020   .054  -.002   .011  -.017
OH4   .6690  .8134  .4307       .024   .048   .011   .016  -.002   .011   .006
O5    .4267  .0110  .3102       .023   .048   .012   .010  -.000   .007  -.002
O6    .3725  .0130 -.1104       .023   .038   .023   .007  -.002   .006   .004
Wat7   .056   .987  -.203  .96   .17    .10    .11    .24   .035   -.08   -.03
Wat8   .913   .769   .585  .91   .17    .11    .13    .25   -.04   -.05   -.00
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Total number of retrieved datasets: 19
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