American Mineralogist Crystal Structure Database

5 matching records for this search.

Luneburgite
Download hom/luneburgite.pdf
Sen Gupta P K, Swihart G H, Dimitrijevic R, Hossain M B
Download am/vol76/AM76_1400.pdf
American Mineralogist 76 (1991) 1400-1407
The crystal structure of luneburgite, Mg3(H2O)6[B2(OH)6(PO4)2]
Locality: Bela Stena, Serbia, Yugoslavia
_database_code_amcsd 0001396
6.3475 9.8027 6.2976 84.46 106.40 96.40 P-1
atom       x      y       z Biso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Mg1        0      0       0      0.0118 0.0083 0.0100  .00129 .00069 -.00205
Mg2   .33887 .66623 -.31919      .00873 .01036 .00676 -.00013 .00242 -.00095
P     .24078 .72309  .13711      .00823 .00785 .00529  .00073 .00133 -.00070
B    -.12248 .71136 -.22907      0.0070 0.0077 0.0076 -0.0001 0.0010 -0.0021
O1    .22712 .87371  .17200      0.0149 0.0085 0.0110  0.0018 -.0006 -0.0027
O2    .41127 .71210  .01082      0.0107 0.0178 0.0089  0.0010 0.0038 -0.0019
O3    .28952 .63511  .35400      0.0154 0.0104 0.0061  0.0024 0.0016 -0.0003
O4    .00992 .66280 -.00409      0.0090 0.0123 0.0074 -0.0012 -.0008  0.0005
O5   -.15042 .85815 -.22787      0.0115 0.0092 0.0164  0.0015 -.0009 -0.0026
O6    .00028 .69116 -.38998      0.0107 0.0190 0.0108 -0.0014 0.0042 -0.0055
O7   -.33537 .63179 -.27715      0.0073 0.0096 0.0142 -0.0014 0.0023 -0.0036
O8   -.21919 .91168  .20918      0.0196 0.0185 0.0187 -0.0012 0.0076 -0.0006
O9    .39704 .87847 -.39107      0.0163 0.0118 0.0105  0.0009 0.0021 -0.0010
O10   .26772 .45615 -.24132      0.0123 0.0136 0.0128  0.0009 0.0045  0.0022
H1     .2779  .1276   .2859 3.16
H2     .0780  .3599   .4879 3.16
H3     .3240  .4464   .3051 3.16
H4     .6657  .8588   .1447 3.16
H5     .8506  .8667   .3066 3.16
H6     .6524  .0656   .3362 3.16
H7     .3435  .8946   .4792 3.16
H8     .8233  .5581   .1717 3.16
H9     .6279  .5878   .1793 3.16
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Veszelyite
Download hom/veszelyite.pdf
Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V
 
American Mineralogist 98 (2013) 1261-1269
In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O:
A single-crystal X-ray study
Note: T = 173 K
Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)
_database_code_amcsd 0019906
7.4863 10.1933 9.7895 90 103.180 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)
Cu1  .49198 .07238 .13093 .875 .01181 .01297 .01154 .01180 -.00167 .00469 -.00213
Zn1  .49198 .07238 .13093 .125 .01181 .01297 .01154 .01180 -.00167 .00469 -.00213
Cu2  .46096 .25245 .35993 .875 .01138 .01200 .01090 .01196 -.00092 .00420 -.00158
Zn2  .46096 .25245 .35993 .125 .01138 .01200 .01090 .01196 -.00092 .00420 -.00158
Zn3  .06992 .07500 .21193      .01153 .01203 .01120 .01152 -.00074 .00300 -.00063
P    .06580 .29795 .41612      .01046  .0108  .0099  .0109  -.0001  .0029  -.0007
O1    .9742  .1587  .0333       .0143  .0129  .0163  .0141   .0003  .0040   .0031
O2    .9831  .1641  .3609       .0132  .0145  .0117  .0140  -.0003  .0048  -.0022
O3    .2755  .2848  .4716       .0127  .0117  .0152  .0118  -.0010  .0038  -.0019
O4    .0241  .3981  .2950       .0142  .0169  .0113  .0149   .0033  .0046   .0011
Oh1   .3385  .0858  .2706       .0113  .0111  .0123  .0107  -.0007  .0027   .0001
H1     .357   .024   .344        .027
Oh2   .6236  .2176  .2349       .0123  .0115  .0132  .0123  -.0010  .0031  -.0016
H2     .741   .185   .279        .047
Oh3   .6002 .40763  .4638       .0113  .0129  .0107  .0112  -.0005  .0046   .0007
H3     .727   .387   .483         .07
OW1   .6558  .3839  .0381       .0193  .0230  .0178  .0175   .0003  .0052   .0014
H4     .766   .376   .007        .046
H5     .653   .323   .110        .033
OW2   .3211  .4065  .1931       .0184  .0151  .0227  .0177  -.0013  .0047  -.0006
H6     .317   .364   .106        .055
H7     .209   .396   .222         .10
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Veszelyite
Download hom/veszelyite.pdf
Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V
 
American Mineralogist 98 (2013) 1261-1269
In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O:
A single-crystal X-ray study
Note: T = 296 K
Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)
_database_code_amcsd 0019907
7.5096 10.2281 9.8258 90 103.3040 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)
Cu1  .49119 .073201 .12977 .01159 .01235 .01255 .01121 -.00264 .00543 -.00326
Cu2  .46075  .25309 .35875 .01117 .01099 .01187 .01168 -.00128 .00472 -.00293
Zn1  .06969 .076074 .21045 .01146 .01111 .01221 .01126 -.00146 .00295 -.00107
P    .06592  .29887 .41457 .00931  .0084 .01001  .0099  .00010 .00289 -.00132
O1   .97533  .15924 .03207  .0152  .0129  .0211  .0130  -.0001  .0059   .0051
O2   .98311  .16643 .35793  .0138  .0125  .0129  .0167  -.0018  .0049  -.0043
O3   .27509  .28533 .46986  .0128  .0081  .0164  .0139  -.0005  .0024  -.0021
O4    .0246  .40001 .29562  .0161  .0195  .0140  .0164   .0056  .0071   .0035
Oh1  .33809  .08578 .26875  .0119  .0105  .0131  .0124  -.0009  .0032   .0008
H1     .359    .023   .340   .080
Oh2  .62201  .21779 .23336  .0128  .0112  .0145  .0132  -.0013  .0039  -.0020
H2     .740    .190   .280   .080
Oh3  .59993  .40805 .46354  .0112  .0102  .0120  .0123   .0015  .0043   .0013
H3    .7248    .386   .488   .080
OW1   .6558  .38343 .03669  .0252  .0322  .0237  .0192   .0018  .0049   .0026
H4     .760    .370   .001   .080
H5     .656    .334   .117   .080
OW2   .3199  .40648 .19194  .0238  .0182  .0324  .0221  -.0009  .0075  -.0024
H6     .323    .374   .103   .080
H7     .202    .402   .209   .080
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Veszelyite
Download hom/veszelyite.pdf
Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V
 
American Mineralogist 98 (2013) 1261-1269
In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O:
A single-crystal X-ray study
Note: T = 473 K
Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)
_database_code_amcsd 0019908
7.252 9.233 10.520 90 102.076 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)
Cu1   .4798  .08719 .11512  .0290  .0366  .0255  .0274  -.0023  .0125  -.0030
Cu2   .4742  .22291 .36711  .0315  .0373  .0261  .0335  -.0041  .0129  -.0075
Zn1   .0541  .07741 .19716  .0317  .0377  .0271  .0313  -.0037  .0095  -.0030
P     .0902   .2150 -.0771  .0282  .0295  .0237  .0314  -.0041  .0064   .0032
O1   -.0130   .1742  .0301   .035   .036   .035   .035   -.001   .009    .011
O2   -.0201   .1634  .3432   .038   .033   .051   .038   -.003   .020   -.017
O3    .2947   .2645 -.0172  .0302   .036   .029   .027   -.005   .011    .004
O4   -.1070  -.0902  .1639   .051   .061   .041   .056   -.022   .022   -.015
OH1   .3324   .0610  .2501   .034   .043   .026   .038    .003   .021   -.003
OH2   .6023   .2449  .2223   .037   .040   .032   .041   -.007   .014   -.001
OH3   .6005   .1039 -.0372  .0282   .031   .023   .033    .006   .013    .000
Wat1  .6902   .0653  .4712   .067   .062   .049   .091    .016   .019    .023
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dmisteinbergite
Download hom/dmisteinbergite.pdf
Dimitrijevic R, Dondur V, Kremenovic A
 
Zeolites 16 (1996) 294-300
Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks:
Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure
Locality: synthetic
_database_code_amcsd 0019481
5.1175 5.1175 14.7716 90 90 120 P6_3/mcm
atom    x   y     z occ Biso
Ca      0   0     0       .4
Si    1/3 2/3 .1403  .5   .5
Al    1/3 2/3 .1403  .5   .5
O1    1/3 2/3   .25      2.1
O2   .387   0 .0974     2.04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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