American Mineralogist Crystal Structure Database

4 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
 
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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View JMOL 3-D Structure
 
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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View JMOL 3-D Structure
 
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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Total number of retrieved datasets: 4
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