American Mineralogist Crystal Structure Database

8 matching records for this search.

Pushcharovskite
Download hom/pushcharovskite.pdf
Pushcharovsky D Y, Teat S J, Zaitsev V N, Zubkova N V, Sarp H
 
European Journal of Mineralogy 12 (2000) 95-104
Crystal structure of pushcharovskite
_database_code_amcsd 0006814
13.6164 15.6672 19.1869 106.933 91.531 98.401 P-1
atom        x      y       z   occ  Uiso
K       .4604  .9897   .2191  .632  .062
As1    .35281 .61360  .26541       .0106
As2    .02666 .28725  .28335       .0104
As3    .68657 .95086  .27406       .0091
As4    .46902 .40761  .33783       .0097
As5    .26582 .21807  .17418       .0088
As6    .11600 .07023  .31652       .0091
As7    .58948 .55925  .17159       .0094
As8    .79201 .74394  .33199       .0080
As9    .92059 .88549  .15530       .0103
As10   .60967 .78440  .50751       .0094
As11   .28620 .43840  .50362       .0096
As12   .79491 .65131 -.00110       .0101
As13   .03372 .88484  .47447       .0093
As14   .86994 .03876  .02621       .0114
As15   .52618 .68949 -.00217       .0103
Cu1    .48182 .58697  .48636       .0102
Cu2    .59685 .60824  .34977       .0100
Cu3    .55730 .75219  .26701       .0109
Cu4    .71867 .75171  .15919       .0113
Cu5    .72319 .84699  .03297       .0116
Cu6    .91879 .83116 -.03443       .0124
Cu7    .05619 .07214  .15703       .0109
Cu8    .89223 .09059  .27450       .0114
Cu9    .91531 .94058  .34397       .0114
Cu10   .80920 .92628  .48658       .0113
Cu11   .84161 .75517  .51584       .0115
Cu12   .27063 .26644  .34663       .0113
Cu13   .23202 .41499  .26714       .0107
Cu14   .38555 .41158  .15518       .0102
Cu15   .40035 .50542  .02899       .0107
Cu16   .94166 .71585  .20054       .0117
Cu17   .45488 .76509  .62219       .0103
Cu18   .86497 .57518  .37727       .0132
O1      .4742  .6488   .2828        .014
OH2     .3040  .6524   .2021        .022
OH3     .2972  .6461   .3431        .016
O4      .3278  .4975   .2361        .015
OH5     .9791  .3284   .3631        .019
O6      .1502  .3150   .2862        .016
O7      .9953  .1755   .2511        .013
OH8     .9800  .3341   .2225        .023
OH9     .6415  .9960   .2152        .017
OH10    .6280  .9824   .3513        .016
O11     .8106  .9860   .2919        .012
O12     .6602  .8361   .2410        .014
O13     .3468  .3771   .3350        .011
O14     .4958  .5198   .3671        .015
O15     .5336  .3592   .3862        .018
OH16    .5064  .3770   .2489        .019
O17     .1532  .1677   .1416        .011
O18     .3068  .1974   .2500        .013
O19     .2769  .3283   .1801        .011
OH20    .3462  .1765   .1082        .014
O21     .1644  .1756   .3619        .015
O22     .1381  .0391   .2283        .013
O23     .9929  .0506   .3317        .012
OH24    .1713  .0016   .3563        .015
O25     .4744  .5120   .1391        .012
O26     .6049  .6691   .1800        .010
O27     .6217  .5305   .2458        .012
OH28    .6693  .5171   .1060        .016
O29     .8143  .8570   .3666        .010
O30     .8591  .6996   .3820        .016
O31     .8164  .7097   .2436        .016
O32     .6699  .7152   .3380        .011
O33     .7983  .8519   .1379        .011
O34     .9560  .8506   .2252        .016
O35     .9384  .9969   .1711        .013
OH36    .9843  .8392   .0826        .016
OH37    .5443  .8553   .4832        .014
O38     .5702  .6776   .4548        .013
O39     .5918  .7897   .5949        .013
O40     .7313  .8172   .4997        .010
OH41    .2213  .5109   .4809        .016
O42     .2698  .4375   .5903        .015
O43     .4066  .4689   .4914        .010
O44     .2462  .3307   .4492        .012
OH45    .8982  .6115  -.0272        .018
O46     .6972  .5820  -.0522        .014
O47     .7817  .6599   .0888        .014
O48     .7998  .7535  -.0170        .010
OH49    .0897  .7974   .4743        .018
O50     .1009  .9776   .5320        .012
O51     .0259  .8940   .3883        .013
O52     .9192  .8676   .5069        .010
OH53    .7833  .0914   .0728        .021
O54     .9862  .0815   .0643        .011
O55     .8410  .9270   .0145        .012
OH56    .8694  .0518  -.0589        .019
OH57    .4185  .7273   .0170        .022
O58     .6208  .7605   .0531        .015
O59     .5469  .6832  -.0909        .015
O60     .5161  .5866   .0130        .007
OH61    .3178  .6009   .0607    .5  .016
Wat61   .3178  .6009   .0607    .5  .016
OH62    .3643  .6421   .4757    .5  .016
Wat62   .3643  .6421   .4757    .5  .016
OH63    .6919  .9871   .4844    .5  .015
Wat63   .6919  .9871   .4844    .5  .015
OH64    .9500  .6837   .5097    .5  .016
Wat64   .9500  .6837   .5097    .5  .016
OH65    .4976  .8383   .3437    .5  .016
Wat65   .4976  .8383   .3437    .5  .016
OH66    .9983  .7346  -.0720    .5  .023
Wat66   .9983  .7346  -.0720    .5  .023
OH67    .4115  .8587   .5832    .5  .018
Wat67   .4115  .8587   .5832    .5  .018
OH68    .8083  .5035   .2584   1/3  .018
Wat68   .8083  .5035   .2584   2/3  .018
OH69    .6482  .9471   .0709    .5  .016
Wat69   .6482  .9471   .0709    .5  .016
OH70    .7873  .1282   .2213    .5  .019
Wat70   .7873  .1282   .2213    .5  .019
OH71    .1750  .5042   .3416    .5  .020
Wat71   .1750  .5042   .3416    .5  .020
OH72    .9342  .5806   .1751    .5  .013
Wat72   .9342  .5806   .1751    .5  .013
OH73    .0041  .5914   .3454    .5  .032
Wat73   .0041  .5914   .3454    .5  .032
OH74    .5088  .8431   .7374   1/3  .024
Wat74   .5088  .8431   .7374   2/3  .024
OH75    .3160  .7384   .6497    .5  .032
Wat75   .3160  .7384   .6497    .5  .032
OH76    .0578  .7339   .2944   1/3  .016
Wat76   .0578  .7339   .2944   2/3  .016
OH77    .8689  .4552   .3936    .5  .011
Wat77   .8689  .4552   .3936    .5  .011
OH78    .0431  .7112   .1251    .5  .023
Wat78   .0431  .7112   .1251    .5  .023
OH79    .4531  .8262   .1748   1/4  .020
Wat79   .4531  .8262   .1748   3/4  .020
OH80    .3807  .0087   .3308   1/3  .028
Wat80   .3807  .0087   .3308   2/3  .028
OH81    .4530  .0310   .0990   1/4  .022
Wat81   .4530  .0310   .0990   3/4  .022
OH82    .2776  .9402   .1739   1/4  .021
Wat82   .2776  .9402   .1739   3/4  .021
Wat83    .112   .528   .1579    .6  .018
Wat84    .409   .782   .8444    .6  .021
Wat85    .994   .552   .0435    .6  .026
Wat86    .876   .174   -.065    .4  .033
Wat87    .219   .721   -.059   .25  .026
Wat88a   .786   .317    .205    .5  .037
Wat88b   .774   .320    .205    .5  .028
Wat89a   .258   .815    .433    .5  .015
Wat89b   .258   .824    .407   .25  .018
Wat90a   .240   .809    .266    .3  .014
Wat90b   .210   .789    .222    .3  .020
Wat91a   .867   .442    .032    .4  .031
Wat91b   .885   .418   -.002    .3  .021
Wat92a   .330   .831   -.016   .25  .039
Wat92b   .392   .879   -.013    .3  .025
Wat92c   .454   .898   -.005   .25  .040
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Tillmannsite
 
Sarp H, Pushcharovsky D Y, MacLean E J, Teat S J, Zubkova N V
 
European Journal of Mineralogy 15 (2003) 177-180
Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and
crystal structure
_database_code_amcsd 0006963
7.727 7.727 4.648 90 90 90 I-4
atom     x     y     z   occ Biso
Ag   .5707 .6624 .2896 .7525 2.01
Hg   .5707 .6624 .2896 .2475 2.01
V       .5     0   .75   .68  1.5
As      .5     0   .75   .36  1.5
O     .659 .9159  .548        1.8
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Mahnertite
Download hom/mahnertite.pdf
Pushcharovsky D Y, Zubkova N V, Teat S J, Maclean E J, Sarp H
 
European Journal of Mineralogy 16 (2004) 687-692
Crystal structure of mahnertite
_database_code_amcsd 0007079
10.037 10.037 23.739 90 90 90 I4/mmm
atom      x      y      z  occ  Uiso
Na       .5      0  .3700  .88  .025
Ca       .5      0  .3700  .12  .025
Cu1      .5  .2707 .28092      .0164
Cu2       0      0  .3783      .0201
Cu3    .184   .184  .4556 .125  .047
As   .20754 .20754 .32286      .0143
O1    .3704  .1708  .3235       .023
O2    .1400  .1400  .2634       .015
O3    .1370  .1370  .3794       .022
Wat1   .340      0  .4443        .16
Wat2     .5    .31   .451  .25   .17
Wat3     .5    .23   .441  .25   .15
Wat4   .626   .305   .449 .125   .09
Cl5      .5     .5  .3433       .026
Cl6       0      0     .5   .5  .028
Wat6      0      0     .5   .5  .028
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(C2N2H10)8Sc8(ScO2)4(PO4)4(HPO4)12*12H2O
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012217
8.603 15.476 16.504 90 96.877 90 P2_1/n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc1  .63355 .79805 .16364 .01278  .0122  .0157  .0107   .0006  .0023  -.0010
Sc2  .49585 .89323 .52210 .01201  .0133  .0117  .0112   .0004  .0020   .0004
Sc3  .02152 .76914 .29943 .01356  .0120  .0177  .0111  -.0003  .0022  -.0005
P1   .22760 .76200 .13355  .0147  .0120  .0189  .0135  -.0028  .0023  -.0019
P2   .26411 .71634 .47600  .0133  .0116  .0167  .0116  -.0005  .0018  -.0007
P3   .81649 .60698 .19758  .0140  .0152  .0139  .0133  -.0004  .0034   .0003
P4   .66826 .79002 .37165  .0151  .0140  .0200  .0119   .0010  .0039  -.0012
O1    .3708 .99391 .45826  .0052  .0038  .0041  .0070  -.0010 -.0019   .0006
O2    .6035 .86154 .42101  .0209  .0259  .0214  .0168   .0034  .0077  -.0030
O3    .3147 .81082 .48960  .0194  .0201  .0172  .0206  -.0058  .0010   .0001
O4    .5880 .79072 .28426  .0225  .0172  .0366  .0140   .0018  .0035  -.0017
O5    .6605 .81028 .04101  .0194  .0204  .0228  .0162   .0049  .0069   .0019
O6    .4075 .92627 .63045  .0209  .0243  .0219  .0176  -.0038  .0073  -.0008
O7    .6546 .81416 .58558  .0243  .0278  .0209  .0226   .0067 -.0032   .0045
O8    .8462 .79337 .37542  .0215  .0152  .0342  .0157  -.0015  .0039  -.0033
O9    .1036 .88146 .33821  .0136  .0123  .0100  .0192  -.0052  .0048  -.0023
O10   .8665 .81877 .20413  .0097  .0038  .0171  .0079  -.0014 -.0003   .0043
O11   .5942 .92567 .17168  .0134  .0168  .0078  .0151   .0035 -.0001  -.0036
O12   .9246 .64688 .26745  .0212  .0226  .0200  .0198  -.0012 -.0025  -.0035
O13   .1684 .70545 .39177  .0196  .0236  .0202  .0141  -.0004 -.0015   .0000
O14   .4025  .7650 .12961  .0244  .0130  .0404  .0201  -.0042  .0034  -.0039
O15   .4091 .65773 .48163  .0224  .0150  .0260  .0267   .0043  .0040   .0021
O16   .6354 .69990 .40934  .0233  .0198  .0243  .0274   .0002  .0095   .0034
O17   .6832 .66644 .16491  .0204  .0210  .0167  .0233   .0024  .0015   .0000
O18   .1930  .7606 .22181  .0254  .0177  .0430  .0166  -.0008  .0073  -.0024
O19   .1600 .84756  .0925  .0314  .0357  .0219  .0334  -.0006 -.0083   .0025
O20   .7298 .52811 .23276  .0249  .0222  .0254  .0273  -.0038  .0042   .0082
O21   .5782  .4906  .3939  .0805   .054   .068   .114   -.007  -.012    .030
N1    .3647  .9423  .2903  .0217  .0202  .0227  .0227   .0027  .0043  -.0030
N2    .4073  .6187  .2922  .0373   .037   .030   .042  -.0044 -.0080  -.0082
N3    .9038  .5948  .4442  .0380   .021   .039   .054   .0030  .0051    .021
N4    .0050  .8790  .5096  .0288   .036  .0222  .0270   .0032 -.0008  -.0010
C1    .4204  .9803 -.0006  .0257   .024   .025   .028   .0008  .0062  -.0014
C2    .2841  .0002  .2278  .0264   .025   .031   .023  -.0005  .0038   .0022
C3    .1683  .0552  .2670  .0314   .040   .025   .029   .0115  .0033   .0014
C4    .0092  .0292  .4644  .0251   .033   .024   .020    .007   .007    .002
C5     .040  .0300  .5231   .043   .054   .032   .041    .013  -.007    .004
H1A   .4241  .9735  .3273    .06
H1B   .4247  .9053  .2668    .07
H1C    .294  .9131  .3146   .022
H2A   .3341  .6492  .3132    .11
H2B   .4674   .654  .2669    .07
H2C    .466   .591  .3321    .17
H3A   .8074  .6162  .4424   .046
H3B   .9211  .5785  .3943    .08
H3C    .973  .6352  .4624   .057
H5A   .4046  .9623  .0541   .027
H5B   .3411   .023 -.0186   .047
H6A   .2297  .9664  .1837   .021
H6B   .3598  .0368  .2054   .048
H7A    .089  .0184  .2861   .043
H7B   .2221  .0854  .3136   .062
H16   .5453  .6987  .4209    .08
H19   .0755  .8375  .0656   .046
H20   .7945  .4956  .2573    .06
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(C2N2H10)2Sc4(HPO4)8
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012218
9.4111 9.1066 9.6950 90 117.272 90 P2/n
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc1     -.25  .39364     .25 .00416  .0049  .0037  .0036       0 .00165       0
Sc2      .25  .11746     .25 .00395  .0052  .0033  .0034       0 .00192       0
P1   -.16828  .10162  .06395 .00476  .0054  .0045  .0043  .00008 .00219 -.00100
P2    .35592  .34309  .02725 .00506  .0052  .0050  .0045 -.00018 .00182  .00054
O1   -.26632  .22278  .09113  .0084  .0086  .0082  .0081   .0014  .0036  -.0029
O2   -.25286  .05986 -.10818  .0072  .0093  .0070  .0042   .0003  .0022  -.0022
O3   -.15941 -.03650  .16485  .0099  .0134  .0083  .0088  -.0018  .0056   .0016
O4    .00394  .14504  .11785  .0088  .0059  .0104  .0100  -.0010  .0034  -.0014
O5    .25602  .26612  .09126  .0082  .0093  .0083  .0081  -.0008  .0049   .0036
O6    .41231  .22249 -.05687  .0122  .0082  .0135  .0141   .0001  .0045  -.0064
O7    .50552  .41304  .15275  .0079  .0065  .0087  .0073  -.0010  .0021  -.0017
O8    .24952  .44982 -.09639  .0097  .0081  .0104  .0091   .0007  .0026   .0051
N     -.0569   .2954  -.1931  .0113  .0087  .0118  .0129  -.0019  .0046  -.0012
C     -.1681   .4070  -.1797  .0114  .0143  .0086  .0115  -.0010  .0060  -.0017
H1A    .0158   .2661  -.0966   .017
H1B   -.0050   .3363  -.2430   .017
H1C   -.1143   .2164  -.2478   .017
H1D   -.1201   .5059  -.1674   .014
H1E   -.1804   .3858  -.0856   .014
H3A   -.2509  -.0737   .1320   .012
H6A    .5111   .2086  -.0049   .015
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Sc4(HPO4)8*4(H3O)
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012219
5.3048 8.8230 14.779 90 95.685 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)
Sc   .23980 .46362 .35060 .00502  .0047  .0053  .0048  -.0003 -.0009  -.0003
P1    .7761 .66159 .44067  .0054  .0057  .0057  .0046   .0002 -.0004   .0001
O1    .5857  .5469 .40207  .0099  .0065  .0118  .0106   .0002 -.0025  -.0016
O2    .7581  .6906 .54104  .0073  .0095  .0071  .0051   .0008 -.0001   .0004
O3    .0463  .6227 .42201  .0085  .0062  .0090  .0105   .0025  .0015  -.0025
O4    .7083  .8216 .39442  .0099  .0155  .0062  .0074   .0018 -.0022   .0018
P2    .2839 .74173 .19024  .0057  .0053  .0059  .0055  -.0001 -.0012   .0007
O5    .2336  .5928 .23510  .0088  .0093  .0081  .0087  -.0016 -.0007   .0034
O6    .5555  .7973 .21704  .0072  .0047  .0089  .0076  -.0016 -.0018   .0017
O7    .0921  .8620 .20752  .0074  .0045  .0087  .0091   .0016  .0004   .0001
O8    .2618  .6992 .08477  .0082  .0096  .0081  .0065   .0016 -.0006   .0017
O9    .2222  .0011  .3882  .0347   .038   .032  .0326    .010 -.0070  -.0035
H4A   .6837  .8108  .3378   .012
H8A   .2727  .7784  .0538   .010
H9A    .242  .0931   .407   .042
H9B    .347  -.055   .410   .042
H9C    .204  -.003  .3297   .042
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Kolbeckite
Download hom/kolbeckite.pdf
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
Locality: synthetic
_database_code_amcsd 0012220
5.4429 10.2513 8.9094 90 90.253 90 P2_1/n
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc    .0891 .33377  .2023 .0052  .0029  .0026  .0101   .0001 -.0008   .0008
P     .0864  .3467 -.1801 .0055  .0043  .0044  .0077  -.0001 -.0014  -.0005
O2    .1165  .4948 -.1825 .0083  .0078  .0080  .0092   .0002  .0000   .0001
O3    .1068  .2950 -.0199 .0196  .0209  .0186  .0192   .0001  .0000   .0003
O4   -.1660  .3126 -.2482 .0122   .012  .0119   .013   .0004 -.0008  -.0005
O5    .2842  .2852 -.2755 .0117  .0112  .0109  .0130  -.0002  .0002  -.0004
Wat1  .3974  .4620  .2036 .0261   .025   .025   .028  -.0003  .0001  -.0003
Wat6  .0746  .3654  .4442  .030   .030   .030   .029   .0010 -.0002  -.0001
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Zdenekite
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Zubkova N V, Pushcharovsky D Y, Sarp H, Teat S J, MacLean E J
 
Crystallography Reports 48 (2003) 939-943
Crystal structure of zdenekite NaPbCu5(AsO4)4Cl*5H2O
Locality: Cap Garrone copper-lead mine, France
_database_code_amcsd 0012387
10.023 19.55 10.023 90 90.02 90 P2_1/n
atom     x     y     z Uiso
Pb1   .362 .5891 .2160 .050
As1   .152 .8361  .919 .007
As2   .148 .8473  .503 .050
As3   .066 .6598  .424 .006
As4   .060 .6641  .010 .009
Cu1   .128 .7151  .714 .001
Cu2  -.138 .7838  .989 .010
Cu3   .081  .794  .207 .035
Cu4   .364 .7094  .946 .017
Cu5  -.143 .5931  .215 .027
Na   -.135  .604  .707 .027
Cl    .634  .367  .289 .026
O1    .235  .671  .372 .001
O2    .271  .164  .460 .001
O3    .541  .854  .096 .001
O4   -.013  .739  .375 .001
O5   -.022  .826  .901 .001
O6    .014  .657  .834 .001
O7    .820  .160  .918 .001
O8    .211  .770  .580 .001
O9    .780  .241  .148 .001
O10   .235  .909  .563 .001
O11   .820  .157  .660 .001
O12   .502  .090  .430 .001
O13   .002  .863  .537 .001
O14   .204  .916  .828 .001
O15  -.008  .723  .081 .001
O16  -.044  .597  .364 .001
Wat1  .206  .504  .148 .001
Wat2 -.172  .479  .233 .001
Wat3 -.142  .538  .558 .001
Wat4  .035  .994  .657 .001
Wat5  .390  .522  .412 .001
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