American Mineralogist Crystal Structure Database

9 matching records for this search.

Argandite
 
Brugger J, Elliott P, Meisser N, Ansermet S
 
American Mineralogist 96 (2011) 1894-1900
Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed
Mn ores at Pipji, Turtmann Valley, Switzerland
Locality: Pipji, Turtmann Valley, Switzerland
_database_code_amcsd 0018517
5.5038 12.2665 10.1055 90 95.559 90 P2_1/n
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       0     .5     .5     .0105  .0117  .0098  .0098 -.0010  .0003 -.0016
Mn2  .23235 .17921 .79338     .0120  .0112  .0119  .0124  .0019 -.0019 -.0008
Mn3  .74927 .56820 .99173 .92 .0095  .0072  .0094  .0116 -.0002 -.0003  .0001
Mn4  .24910 .20769 .50088 .94 .0103  .0100  .0104  .0105 -.0012  .0006  .0000
V    .53430 .42008 .70834 .73 .0079  .0074  .0082  .0078  .0004 -.0002 -.0001
As   .53430 .42008 .70834 .27 .0079  .0074  .0082  .0078  .0004 -.0002 -.0001
O2    .5617 .42947  .8817     .0126  .0104  .0143  .0126  .0004 -.0014 -.0002
Oh1   .0535  .3060  .8875     .0138  .0139  .0149  .0126  .0008  .0008 -.0005
Oh3   .0784  .3449  .4060     .0156  .0128  .0156  .0183 -.0007  .0009  .0005
O4    .4159  .2965  .6677     .0177  .0232  .0135  .0156 -.0016 -.0021 -.0046
Oh5   .0749  .5612  .8870     .0152  .0123  .0138  .0192 -.0011  .0008  .0004
Oh6   .5433  .6824  .8724     .0151  .0139  .0157  .0158  .0028  .0018 -.0017
O7    .3496  .5203  .6375     .0154  .0162  .0127  .0165  .0026 -.0025  .0029
O8    .8205  .4273  .6616     .0182  .0135  .0270  .0142  .0048  .0016  .0017
H1     .013   .347   .807      .053
H3     .193   .361   .342      .053
H5     .056   .527   .801      .053
H6     .640   .746   .864      .053
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Liversidgeite
 
Elliott P, Giester G, Libowitzky E, Kolitsch U
Download am/vol95/AM95_397.pdf
American Mineralogist 95 (2010) 397-404
Description and crystal structure of liversidgeite, Zn6(PO4)4*7H2O,
a new mineral from Broken Hill, New South Wales, Australia
Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia
_database_code_amcsd 0005033
8.299 9.616 12.175 71.68 82.02 80.18 P-1
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn1   .03028 .40116 .12441  .0119  .0105  .0141  .0102 -.0015 -.0002 -.0042
Zn2   .42699 .39460 .12045 .01177  .0121  .0102  .0114 -.0008 -.0005 -.0025
Zn3   .92638 .12078 .38843  .0117  .0105  .0136  .0095 -.0016  .0008 -.0021
Zn4   .52516 .13951 .39429  .0129  .0120  .0128  .0120  .0006 -.0008 -.0053
Zn5   .81612 .40022 .49691  .0132  .0163  .0131  .0100 -.0032  .0012 -.0037
Zn6   .64560 .33973 .74866  .0177  .0205  .0182  .0149 -.0082 -.0032  .0033
P1     .2086  .6991 .02141  .0078  .0079  .0081  .0075 -.0025 -.0008 -.0011
P2     .6794  .4369 .28472  .0077  .0084  .0063  .0080 -.0013  .0010 -.0028
P3     .1753  .3613 .36516  .0074  .0089  .0071  .0062 -.0016  .0009 -.0031
P4     .2910  .9158 .37199  .0073  .0067  .0079  .0071 -.0021  .0012 -.0026
O1     .0677  .6148  .0218  .0132   .015   .014   .009  -.001   .001  -.003
O2     .2031  .8396 -.0822  .0130   .009   .013   .014  -.002   .001   .000
O3     .3744  .6021  .0098  .0119   .011   .012   .010  -.001   .007  -.004
O4     .1947  .7373  .1365  .0138   .018   .013   .010  -.001  -.002  -.004
O5     .8043  .4742  .1804  .0162   .012   .025   .009  -.002   .005  -.004
O6     .6928  .5217  .3695  .0177   .023   .016   .014  -.003  -.004  -.004
O7     .7035  .2698  .3497  .0105   .008   .012   .012  -.002   .002  -.007
O8     .5050  .4795  .2414  .0127   .010   .015   .014  -.007   .003  -.002
O9     .3076  .2489  .4275  .0121   .014   .009   .008  .0039  -.003   .000
O10    .1726  .5127  .3821  .0176   .026   .012   .017  -.009   .001  -.004
O11    .2020  .3805  .2346  .0103   .010   .014   .007 -.0022  .0004  -.006
O12    .0069  .3072  .4133  .0102   .011   .013   .008  -.004  .0022  -.005
O13    .2963  .0072  .2447  .0128   .017   .013   .010  -.002  -.001  -.006
O14    .1269  .9595  .4349  .0119   .012   .012   .012  -.004   .001  -.003
O15    .4312  .9409  .4301  .0096   .011   .009   .009 -.0027  .0020  -.006
O16    .3041  .7509  .3821  .0113   .013   .011   .009  -.002   .003  -.006
O17    .0070  .1697  .2131  .0137   .015   .015   .012  -.003  -.001  -.006
H1     -.078   .148   .190    .02
H2      .108   .124   .202    .06
O18    .2664  .3276  .0254  .0133   .012   .015   .010  -.001  -.002  -.001
H3      .293   .232   .039    .05
H4      .259   .380  -.050    .04
O19    .7807  .9662  .3748  .0143   .015   .010   .014   .004   .002  -.007
H5      .824   .952   .309    .03
H6      .768   .882   .431    .05
O20    .5167  .1782  .2098  .0144   .013   .011   .017   .001   .002  -.006
H7      .444   .117   .212    .08
H8      .613   .173   .171    .10
O21    .4575  .2074  .8254  .0389   .035   .030   .047  -.012   .019  -.009
H9      .495   .128   .886    .16
H10     .412   .180   .771    .17
O22    .8697  .7764  .2441  .0396   .039   .033   .047  -.017   .009  -.005
H11     .827   .689   .280    .09
H12     .977   .749   .222    .07
O23    .2714  .0512  .0136   .064   .134   .039   .033  -.018   .010  -.046
H13     .253  -.006  -.031    .09
H14     .216   .018   .085    .10
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Gratianite
 
Ciobanu C L, Brugger J, Cook N J, Mills S J, Elliott P, Damian G, Damian F
 
American Mineralogist 99 (2014) 1163-1170
Gratianite, MnBi2S4, a new mineral from the Baita Bihor skarn, Romania
Locality:  Baita Bihor skarn deposit, Bihor County, Romania
_database_code_amcsd 0020334
12.677 3.9140 14.758 90 115.31 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)
Bi1  .22003 0 .36822  .9875 .0251  .0283  .0236  .0247      0  .0126      0
Sb1  .22003 0 .36822 .00903 .0251  .0283  .0236  .0247      0  .0126      0
Bi2  .35329 0 .13829  .9875 .0279  .0298  .0281  .0274      0  .0140      0
Sb2  .35329 0 .13829 .00903 .0279  .0298  .0281  .0274      0  .0140      0
Fe3       0 0     .5    .65  .025   .021   .027   .031      0   .013      0
Mn3       0 0     .5   .102  .025   .021   .027   .031      0   .013      0
Pb3       0 0     .5   .142  .025   .021   .027   .031      0   .013      0
Cu3       0 0     .5   .085  .025   .021   .027   .031      0   .013      0
Cd3       0 0     .5   .018  .025   .021   .027   .031      0   .013      0
Ag3       0 0     .5   .002  .025   .021   .027   .031      0   .013      0
Mn4       0 0      0         .027   .030   .031   .024      0   .015      0
S1    .6537 0  .0422         .021   .017   .022   .024      0   .009      0
Se1   .6537 0  .0422 .00298  .021   .017   .022   .024      0   .009      0
Te1   .6537 0  .0422 .00174  .021   .017   .022   .024      0   .009      0
S2    .0132 0  .1733         .022   .020   .020   .026      0   .011      0
Se2   .0132 0  .1733 .00298  .022   .020   .020   .026      0   .011      0
Te2   .0132 0  .1733 .00174  .022   .020   .020   .026      0   .011      0
S3    .6044 0  .4492         .021   .014   .024   .020      0   .003      0
Se3   .6044 0  .4492 .00298  .021   .014   .024   .020      0   .003      0
Te3   .6044 0  .4492 .00174  .021   .014   .024   .020      0   .003      0
S4    .8310 0  .3200         .023   .020   .027   .032      0   .019      0
Se4   .8310 0  .3200 .00298  .023   .020   .027   .032      0   .019      0
Te4   .8310 0  .3200 .00174  .023   .020   .027   .032      0   .019      0
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Nyholmite
Download hom/nyholmite.pdf
Elliott P, Turner P, Jensen P, Kolitsch U, Pring A
 
Mineralogical Magazine 73 (2009) 723-735
Description and crystal structure of nyholmite, a new mineral related to hureaulite,
from Broken Hill,New South Wales, Australia
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0014593
18.062 9.341 9.844 90 96.17 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)
CdM1       0 -.10841    .25 .73  .0156  .0164  .0107  .0194       0  .0006       0
ZnM1       0 -.10841    .25 .27  .0156  .0164  .0107  .0194       0  .0006       0
ZnM2  .31675  .08527 .68608 .31  .0182  .0215  .0109  .0219  -.0004  .0008   .0034
CuM2  .31675  .08527 .68608 .22  .0182  .0215  .0109  .0219  -.0004  .0008   .0034
CdM2  .31675  .08527 .68608 .19  .0182  .0215  .0109  .0219  -.0004  .0008   .0034
MnM2  .31675  .08527 .68608 .26  .0182  .0215  .0109  .0219  -.0004  .0008   .0034
AlM2  .31675  .08527 .68608 .02  .0182  .0215  .0109  .0219  -.0004  .0008   .0034
CdM3  .17497  .02916 .36559 .89 .01732  .0180  .0125  .0215 -.00115 .00223 -.00237
ZnM3  .17497  .02916 .36559 .08 .01732  .0180  .0125  .0215 -.00115 .00223 -.00237
CaM3  .17497  .02916 .36559 .01 .01732  .0180  .0125  .0215 -.00115 .00223 -.00237
PbM3  .17497  .02916 .36559 .02 .01732  .0180  .0125  .0215 -.00115 .00223 -.00237
AsT1  .08304  .18435 .08981 .66  .0130  .0146  .0094  .0148   .0015  .0006  -.0009
PT1   .08304  .18435 .08981 .34  .0130  .0146  .0094  .0148   .0015  .0006  -.0009
AsT2  .16130  .26692 .62387 .83  .0133  .0149  .0070  .0172  .00044 -.0012 -.00037
PT2   .16130  .26692 .62387 .17  .0133  .0149  .0070  .0172  .00044 -.0012 -.00037
O1     .1589   .2739  .1356      .0257   .024   .026   .027  -.0044  .0006  -.0025
OH2    .0109   .2964  .0791      .0310   .035   .029   .028   .0080 -.0015  -.0086
O3     .0755   .0663  .2090      .0270   .025   .022   .034  -.0036  .0009   .0081
O4     .0840   .1111 -.0615      .0260   .024   .029   .024   .0102  .0019  -.0045
O5     .1656   .2490  .4541      .0232   .029  .0184   .021   .0014 -.0023  -.0039
O6     .0725   .2749  .6557      .0241  .0205  .0174   .033   .0000 -.0007  -.0020
O7     .2054   .4160  .6779      .0216  .0193  .0159   .031  -.0019  .0084  -.0025
O8     .2048   .1281  .7023      .0247   .024  .0143   .036   .0017  .0051   .0076
Wat9   .4176  -.0033  .6613      .0364   .033   .031   .045   -.008   .003    .015
Wat10  .2604  -.0841  .5323      .0240   .026  .0220   .025   .0021  .0077   .0046
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Perloffite
Download hom/perloffite.pdf
Elliott P, Willis A C
 
Mineralogical Magazine 75 (2011) 317-325
The crystal structure of perloffite
Locality: Spring Creek copper mine, near Wilmington, South Australia
_database_code_amcsd 0019599
9.2425 12.470 5.002 90 100.19 90 P2_1/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)
Ba     .54764     .75 .74105 .97 .0257  .0224  .0321  .0224      0 .00378      0
Sr     .54764     .75 .74105 .03 .0257  .0224  .0321  .0224      0 .00378      0
MnM1   .29812 -.10805 .20246 .57 .0260  .0227  .0279  .0272  .0000  .0037  .0010
Fe2+M1 .29812 -.10805 .20246 .38 .0260  .0227  .0279  .0272  .0000  .0037  .0010
CaM1   .29812 -.10805 .20246 .02 .0260  .0227  .0279  .0272  .0000  .0037  .0010
MgM1   .29812 -.10805 .20246 .02 .0260  .0227  .0279  .0272  .0000  .0037  .0010
NaM1   .29812 -.10805 .20246 .01 .0260  .0227  .0279  .0272  .0000  .0037  .0010
Fe3+M2 .09201  .39871 .13464 .97 .0218  .0199  .0254  .0200  .0001  .0030 -.0001
AlM2   .09201  .39871 .13464 .03 .0218  .0199  .0254  .0200  .0001  .0030 -.0001
P1      .1631     .75  .6811     .0217  .0191  .0284  .0177      0  .0034      0
P2     .33642  .44109  .7104     .0223  .0198  .0274  .0195  .0001  .0033 -.0002
O1      .2809     .75  .9372     .0297   .021   .043   .024      0   .001      0
O2      .2383     .75  .4318     .0252   .026   .027   .023      0  .0069      0
O3      .0668   .6492  .6795     .0277  .0273  .0306  .0274 -.0018  .0112 -.0035
O4      .3710   .5520  .6150     .0290  .0270   .030  .0303  .0006  .0066  .0009
O5      .2660   .4529  .9724     .0283  .0241   .039  .0235 -.0028  .0076 -.0052
O6      .2285   .3818  .4864     .0278  .0283   .031  .0213  .0009 -.0026 -.0016
O7      .4719   .3698  .7867     .0279  .0250   .031  .0278  .0034  .0058  .0058
Oh8     .1310     .25 -.0002     .0274   .033   .024   .026      0   .009      0
Oh9     .0616   .5588  .1944     .0254  .0260  .0286  .0213 -.0034  .0033 -.0015
H1       .092     .25  -.177       .05
H2       .044    .590   .350       .05
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Gatehouseite
Download hom/gatehouseite.pdf
Elliott P, Pring A
 
Mineralogical Magazine 75 (2011) 2823-2832
The crystal structure of gatehouseite
Locality: Iron Monarch quarry, Iron Knob, South Australia, Australia
_database_code_amcsd 0018567
17.9733 5.6916 9.130 90 90 90 P2_12_12_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)
Mn1  .43287 .26702  .75423     .0127  .0142  .0136  .0105  .0000  .0001 -.0003
Mn2  .02916 .05350  .89058     .0136  .0142  .0128  .0136  .0013 -.0014 -.0002
Mn3  .22447 .06464  .85360     .0127  .0148  .0120  .0112  .0007 -.0015 -.0002
Mn4  .12506 .55556  .87768     .0108  .0128  .0098  .0098 -.0001  .0004 -.0003
Mn5  .32013 .58215 -.00286     .0137  .0159  .0128  .0125 -.0001 -.0017  .0003
P1   .37369  .1163  .07189 .88 .0132  .0165  .0141  .0089 -.0001  .0000 -.0003
Si1  .37369  .1163  .07189 .09 .0132  .0165  .0141  .0089 -.0001  .0000 -.0003
As1  .37369  .1163  .07189 .03 .0132  .0165  .0141  .0089 -.0001  .0000 -.0003
P2   .12297  .1934  .17988 .88 .0087  .0111  .0094  .0055  .0005 -.0017  .0001
Si2  .12297  .1934  .17988 .09 .0087  .0111  .0094  .0055  .0005 -.0017  .0001
As2  .12297  .1934  .17988 .03 .0087  .0111  .0094  .0055  .0005 -.0017  .0001
Oh1   .0486  .7275   .0169     .0173   .019   .019   .014   .001  -.001  -.005
Oh2   .2042  .3842   .7371     .0155   .014   .015   .017   .001   .001  .0004
Oh3   .0440  .3658   .7560     .0174   .021   .019   .013   .002   .001  .0035
Oh4   .2165  .7409  -.0300     .0176   .021   .022   .010 -.0032 -.0019   .001
O5    .1437  .4287   .2575     .0157   .024  .0133   .010   .000  -.003 -.0017
O6    .1273  .2246   .0091     .0148   .017  .0154   .012  .0030  -.003   .002
O7    .1732 -.0138   .2280     .0167   .019   .014   .017 -.0013  -.001  .0029
O8    .0427  .1159   .2190     .0187   .017   .019   .020  -.005  -.002   .001
O9    .3760  .1170   .2434     .0141   .018  .0165   .008 -.0007 -.0011   .000
O10   .2969  .2115   .0201     .0183   .016   .019   .020  -.001  -.002   .001
O11   .4311  .2926   .0037     .0179   .021   .021   .012   .002  -.002  -.005
O12   .3909  .8645   .0188     .0176   .018   .022   .013  -.002 -.0023 -.0020
H1     .002   .649    .017       .05
H2     .245   .487    .761       .05
H3     .074   .330    .672       .05
H4     .212   .785    .072       .05
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Domerockite
 
Elliott P, Kolitsch U, Willis A C, Libowitzky E
 
Mineralogical Magazine 77 (2013) 509-522
Description and crystal structure of domerockite, Cu4(AsO4)(AsO3OH)(OH)3*H2O
a new mineral from the Dome Rock mine, South Australia
Locality: Dome Rock mine, South Australia
_database_code_amcsd 0020093
5.378 8.962 9.841 75.26 83.56 79.97 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)
Cu1    .2346 .50780  .25502 .99 .0163  .0171  .0186  .0123  .0005 -.0003 -.0067
Zn1    .2346 .50780  .25502 .01 .0163  .0171  .0186  .0123  .0005 -.0003 -.0067
Cu2        0     .5       0 .99 .0173  .0190  .0217  .0114 -.0008  .0000 -.0092
Zn2        0     .5       0 .01 .0173  .0190  .0217  .0114 -.0008  .0000 -.0092
Cu3       .5     .5      .5 .99 .0180  .0187  .0218  .0133  .0000 -.0004 -.0091
Zn3       .5     .5      .5 .01 .0180  .0187  .0218  .0133  .0000 -.0004 -.0091
Cu4    .8647 .89452  .12655 .99 .0200  .0195  .0195  .0159  .0024  .0028 -.0019
Zn4    .8647 .89452  .12655 .01 .0200  .0195  .0195  .0159  .0024  .0028 -.0019
Cu5    .6054 .99330  .63698 .99 .0184  .0177  .0218  .0146 -.0040 -.0005 -.0009
Zn5    .6054 .99330  .63698 .01 .0184  .0177  .0218  .0146 -.0040 -.0005 -.0009
H4       .82    .87    .824 .91   .05
As1   .39852 .74792 -.04397 .98 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
P1    .39852 .74792 -.04397 .01 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
Si1   .39852 .74792 -.04397 .01 .0168  .0174  .0172  .0147 -.0012  .0018 -.0048
As2   .91275 .75427  .45714 .98 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
P2    .91275 .75427  .45714 .01 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
Si2   .91275 .75427  .45714 .01 .0165  .0167  .0171  .0142 -.0007  .0012 -.0042
O1     .6940  .7452  -.0061     .0199   .020   .019   .021  -.005   .002  -.005
O2     .3873  .7611  -.2179     .0215   .027   .021   .018  -.005   .000  -.007
O3     .2722  .5885   .0502     .0187   .018   .019   .018   .000  -.001  -.009
O4     .2002  .8987   .0101     .0184   .018   .017   .018   .000   .002  -.003
O5     .9953  .7407   .2917     .0185   .020   .019   .013  -.002   .001   .000
O6     .1728  .7529   .5390     .0218   .017   .025   .022  -.003  -.002  -.006
O7     .7050  .9172   .4645     .0195   .019   .021   .017  -.006   .000  -.001
O8     .7687  .5999   .5447     .0202   .024   .020   .014   .004  -.004  -.008
OOH9   .5264  .5782   .2998     .0168   .017   .020   .014  -.004  -.001  -.004
OOH10 -.0521  .4282   .2067     .0178   .021   .020   .013  -.002   .001  -.011
OOH11  .5294  .9030   .2168     .0208   .022   .028   .012  -.005   .000  -.005
Wat12  .9021  .8875   .7360     .0217   .022   .028   .014  -.001   .001  -.007
H1       .49   .684    .302       .05
H2     -.217   .466    .233       .05
H3       .43    .93     .13       .05
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Putnisite
 
Elliott P, Giester G, Rowe R, Pring A
 
Mineralogical Magazine 78 (2014) 131-144
Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia:
description and crystal structure
Locality: Polar Bear peninsula, Southern Lake Cowan, Western Australia, Australia
_database_code_amcsd 0020044
15.351 20.421 18.270 90 90 90 Pnma
atom         x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      .26100    .25 .26070       .0177  .0220  .0160  .0150      0 -.0003      0
Ca(1)   .89408 .59583 .10255       .0211  .0244  .0217  .0172 -.0005 -.0006 -.0009
Ca(2)   .90849 .58505 .37485       .0213  .0222  .0252  .0164 -.0007 -.0015 -.0029
Cr(1)   .74757 .32260 .04790       .0163  .0201  .0145  .0143 -.0025  .0003  .0001
Cr(2)   .75157 .42178 .16020       .0138  .0158  .0131  .0124 -.0034 -.0003  .0010
Cr(3)   .76176 .42059 .32013       .0131  .0139  .0125  .0131 -.0019 -.0001 -.0010
Cr(4)   .76802 .32169 .43427       .0135  .0166  .0109  .0130  .0011 -.0010 -.0007
S        .5192    .25 .31235       .0184  .0147  .0185   .022      0 -.0006      0
C(1)     .8378    .25 -.0738        .024   .021   .022   .029      0   .000      0
C(2)     .6597  .4509  .0222       .0239   .021   .021   .030   .006   .004  -.003
C(3)     .8488  .5258  .2372       .0223   .014   .032   .021   .006   .004   .012
C(4)     .6787  .4469  .4622       .0238   .019   .028   .025  -.006  -.003  -.002
C(5)     .8611    .25  .5549        .023   .014   .021   .033      0  -.005      0
O(1)     .5872    .25  .2561        .038   .030   .041   .041      0   .008      0
O(2)     .4333    .25  .2769        .046   .025   .042   .071      0  -.005      0
O(3)     .5291  .3093  .3598       .0492   .057   .050   .040  -.011  -.005   .007
O(4)     .8793    .25 -.1295        .033   .034   .032   .034      0   .026      0
O(5)     .8155  .3056 -.0415       .0253   .035   .020   .021  -.002   .004   .002
O(6)     .6219  .4897 -.0205       .0266   .040   .026   .014   .002  -.005  -.003
O(7)     .6773  .4682  .0883       .0240   .029   .026   .017  -.006  -.004   .003
O(8)     .6778  .3917 -.0021       .0270   .025   .025   .031  -.010  -.003   .003
O(9)     .8931  .5785  .2369       .0265   .032   .022   .025   .002  -.001  -.015
O(10)    .8297  .4988  .3004       .0214   .031   .018   .015   .004   .000  -.004
O(11)    .8224  .5008  .1751       .0232   .026   .027   .017  -.011  -.008  -.005
O(12)    .6336  .4834  .5036       .0332   .054   .028   .017  -.006   .015   .013
O(13)    .6977  .4668  .3977       .0226   .036   .020   .012   .000  -.001   .007
O(14)    .6996  .3891  .4855       .0247   .026   .017   .031   .003   .000  -.002
O(15)    .8985    .25  .6131        .038   .056   .027   .030      0  -.030      0
O(16)    .8388  .3056  .5230       .0249   .033   .024   .018   .002  -.005  -.001
Oh(17)   .8284  .3904  .0817       .0231   .027   .020   .023   .002   .000  -.002
Oh(18)   .6897  .3384  .1419       .0199   .022   .024   .014  -.003   .003  -.005
Oh(19)   .8104    .25  .0977       .0214   .013   .030   .022      0  -.010      0
Oh(20)   .6659    .25  .0204       .0224   .019   .021   .027      0  -.009      0
Oh(21)   .6767  .4470  .2438       .0222   .021   .026   .020  -.004  -.003   .006
Oh(22)   .8176  .3744  .2374       .0203   .013   .023   .026  -.002   .000   .003
Oh(23)   .7049  .3368  .3428       .0176   .017   .016   .019   .001  -.002  -.003
Oh(24)   .8470  .3897  .3936       .0221   .019   .019   .029   .002  -.001  -.001
OH(25)   .6881    .25  .4647       .0252   .032   .010   .034      0   .003      0
OH(26)   .8310    .25  .3828       .0182   .022   .017   .016      0   .002      0
Wat(27) 1.0164  .5231  .1100        .064   .059   .092   .042   .024   .012   .041
Wat(28)  .7474  .6292  .1353        .163   .111   .331   .048   .068   .028   .163
Wat(29)  .9922  .6690  .1674        .184   .285   .229   .039  -.051   .050  -.236
OHw(30)  .9950  .6446  .0086        .078   .041   .147   .046   .016   .000  -.020
Wat(31) 1.0020  .6632  .3171        .186   .319   .174   .064   .081  -.107  -.218
Wat(32)  .7615  .6225  .3525        .187   .154   .332   .075  -.131  -.083   .201
Ow(33)  1.0104  .4971  .3501       .0467   .032   .061   .047  -.013   .000   .015
Wat(34) 1.0277  .5988  .4627       .0461   .053   .041   .044  -.009  -.018  -.010
Ow(35)   .5137  .3277  .1247        .084   .037   .112   .103  -.011  -.008   .026
OHw(36)  .4984  .4196  .2854       .0476   .049   .050   .044   .002   .008  -.001
Ow(37)  1.1438  .5776  .2407        .113   .053   .042   .243   .052   .056   .022
OHw(38)  .7483    .75  .2451        .088   .090   .112   .061      0   .004      0
Wat(39)  .8819  .7049  .3850    .5  .053   .084   .045   .029   .005   .017   .017
Wat(40)  .8601  .7116  .1061    .5  .040   .055   .037   .029  -.006  -.022  -.003
H17       .856   .416   .049        .043
H18       .627   .342   .138        .043
H19       .866    .25   .117        .043
H20       .607    .25   .003        .043
H21       .621   .462   .252        .043
H22       .878   .373   .228        .043
H23       .646   .340   .356        .043
H24       .861   .402   .441        .043
H30       .992   .654  -.046        .043
H33a      .968   .516   .380        .043
H33b     1.065   .493   .372        .043
H35a      .508   .329   .072        .043
H35b      .466   .350   .142        .043
H36       .495   .383   .315        .043
H37a     1.091   .583   .220        .043
H37b     1.188   .592   .210        .043
H38       .807    .75   .248        .043
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Barlowite
 
Elliott P, Cooper M A, Pring A
 
Mineralogical Magazine 78 (2014) 1755-1762
Barlowite, Cu4FBr(OH)6, a new mineral isostructural with claringbullite:
description and crystal structure
Locality: Great Australia mine, Cloncurry, Queensland, Australia
_database_code_amcsd 0020634
6.6786 6.6786 9.2744 90 90 120 P6_3/mmc
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Cu1      .5      0      0      .01449 .01064  .0100  .0226 .00498 -.00191 -.00382
Cu2  .37107  .7421    .75  .33  .0123  .0113  .0179  .0098  .0090       0       0
Br      2/3    1/3    .75  .95  .0184  .0201  .0201  .0151 .01003       0       0
Cl      2/3    1/3    .75  .09  .0184  .0201  .0201  .0151 .01003       0       0
F         0      0    .75       .0250  .0212  .0212   .033  .0106       0       0
O    .20189 .79811 .90797 .975  .0125  .0108  .0108  .0159  .0054  -.0009   .0009
H     .1225  .8775   .871 .975   .044
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Total number of retrieved datasets: 9
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