American Mineralogist Crystal Structure Database

8 matching records for this search.

Mazzite-Na
 
Arletti R, Galli E, Vezzalini G, Wise W S
Download am/vol90/AM90_1186.pdf
American Mineralogist 90 (2005) 1186-1191
Mazzite-Na, a new zeolite from Boron, California:
Its description and crystal structure
Sample: US Borax Mine, Boron, Ca
_database_code_amcsd 0003819
18.2343 18.2343 7.6371 90 90 120 P6_3/mmc
atom      x      y      z  occ  Uiso
Na1     1/3    2/3    .25  .24   .06
Na2      .5      0      0  .77  .119
Na3    .032   .144   .040  .26   .19
Si1  .15791 .49004    1/4      .0162
Si2  .35457 .09295  .0457      .0162
O1    .2580  .5161    1/4       .032
O2    .4246  .8493    1/4       .037
O3    .3829  .0977    1/4      .0258
O4    .4357  .1092 -.0721      .0308
O5    .1625  .3250 -.0046      .0284
O6    .2727      0      0      .0275
Wat1  .4658  .9316   .719  .44  .076
Wat2    1/3    2/3   .963  .63   .18
Wat2A   1/3    2/3   .056  .19  .021
Wat3   .243   .680    3/4  .24   .13
Wat5   .130  -.004    3/4  .46   .25
Wat6   .089   .177    1/4  .36   .15
Wat7   .078  -.078    3/4  .12   .07
Wat8   .437   .874   .704  .08   .03
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stellerite
Download hom/stellerite.pdf
Arletti R, Mazzucato E, Vezzalini G
Download am/vol91/AM91_628.pdf
American Mineralogist 91 (2006) 628-634
Influence of dehydration kinetics on T-O-T bridge breaking
in zeolites with framework type STI: The case of stellerite
Locality: Seremida, Sardinia, Italy
Sample: T = 302 K
Note: occupancies invented to match formula
_database_code_amcsd 0004140
13.5947 18.1823 17.8335 90 90 90 Fmmm
atom     x     y     z occ  Uiso
Ca      .5    .0 .2920 .78  .042
Na      .5    .0 .2920 .10  .042
K       .5    .0 .2920 .01  .042
SiT1 .3847 .3068 .3787 .88 .0337
AlT1 .3847 .3068 .3787 .22 .0337
SiT3 .3034 .4114    .5 .88 .0337
AlT3 .3034 .4114    .5 .22 .0337
SiT4 .3859 .1832    .5 .88 .0337
AlT4 .3859 .1832    .5 .22 .0337
SiT5   .25   .25   .25 .88 .0337
AlT5   .25   .25   .25 .22 .0337
O1   .3151 .3094 .2995      .043
O3   .3716 .2353 .4265      .043
O4   .3548 .3804 .4205      .043
O7      .5 .3164 .3532      .043
O8   .3179 .1121    .5      .043
O9    .311    .5    .5      .043
O10     .5  .148    .5      .043
Wat1  .401  .117  .307 .27  .091
Wat2    .5  .131  .302 .84  .091
Wat3  .460    .0  .419 .46  .091
Wat4  .349  .071  .330 .30  .091
Wat5  .420    .5  .336 .64  .091
Wat7  .315  .053  .246 .27  .091
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stellerite
Download hom/stellerite.pdf
Arletti R, Mazzucato E, Vezzalini G
Download am/vol91/AM91_628.pdf
American Mineralogist 91 (2006) 628-634
Influence of dehydration kinetics on T-O-T bridge breaking
in zeolites with framework type STI: The case of stellerite
Locality: Seremida, Sardinia, Italy
Sample: T = 503 K
Note: occupancies invented to match formula
_database_code_amcsd 0004141
13.6629 17.6064 17.3629 90 90 90 Amma
atom      x     y     z  occ Uiso
Ca1     .25  .179  .067  .13 .083
Na1     .25  .179  .067  .02 .083
Ca4     .25    .5  .171  .08 .083
Na4     .25    .5  .171  .01 .083
Ca5    .080    .5  .093  .36 .083
Na5    .080    .5  .093  .04 .083
Ca6    .083     0 -.018  .20 .083
Na6    .083     0 -.018  .03 .083
SiT1  .1373 .3340 .1346  .88 .037
AlT1  .1373 .3340 .1346  .22 .037
SiT1P .1369 .2851 .3792  .88 .037
AlT1P .1369 .2851 .3792  .22 .037
SiT3  .0505 .4087 .2819  .88 .037
AlT3  .0505 .4087 .2819  .22 .037
SiT4  .1350 .1882 .2330  .88 .037
AlT4  .1350 .1882 .2330  .22 .037
SiT5      0 .2969     0  .88 .037
AlT5      0 .2969     0  .22 .037
O1     .066 .3577 .0588      .053
O1P    .064 .2658 .4557      .053
O3     .127 .2447 .1580      .053
O3P    .117 .2164 .3188      .053
O4     .100 .3927 .1956      .053
O4P    .117 .3672 .3470      .053
O7      .25  .363  .103      .053
O7P     .25  .287  .410      .053
O8    .0738 .1158  .212      .053
O9     .047    .5  .289      .053
O10     .25  .162  .231      .053
Wat1    .25     0  .343  .44 .132
Wat2    .25  .094  .431  .13 .132
Wat3    .25    .5  .410  .83 .132
Wat4    .25     0  .213  .44 .132
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stellerite
Download hom/stellerite.pdf
Arletti R, Mazzucato E, Vezzalini G
Download am/vol91/AM91_628.pdf
American Mineralogist 91 (2006) 628-634
Influence of dehydration kinetics on T-O-T bridge breaking
in zeolites with framework type STI: The case of stellerite
Locality: Seremida, Sardinia, Italy
Sample: T = 740 K
Note: occupancies invented to match formula
_database_code_amcsd 0004142
13.5426 17.557 17.102 90 90 90 Amma
atom      x     y     z occ Uiso
Ca1     .25  .243  .051 .40 .044
Na1     .25  .243  .051 .05 .044
Ca4     .25    .5  .187 .34 .044
Na4     .25    .5  .187 .04 .044
SiT1   .138  .334  .137 .55 .063
AlT1   .138  .334  .137 .07 .063
SiT1P .1348 .2745 .3762 .88 .063
AlT1P .1348 .2745 .3762 .22 .063
SiT3  .0551 .4134 .2873 .88 .063
AlT3  .0551 .4134 .2873 .22 .063
SiT4  .1337 .1751 .2243 .88 .063
AlT4  .1337 .1751 .2243 .22 .063
SiT5      0 .3091     0 .88 .063
AlT5      0 .3091     0 .22 .063
SiT1D  .141 .4109  .116 .33 .063
AlT1D  .141 .4109  .116 .05 .063
O1     .073  .363  .058     .084
O1P    .072 .2482  .455     .084
O3     .128  .239  .152     .084
O3P    .123  .210 .3107     .084
O4     .118  .396  .206     .084
O4P    .110 .3577  .345     .084
O7      .25  .367  .100     .084
O7P     .25  .272  .406     .084
O8     .071  .100  .214     .084
O9     .082    .5  .310     .084
O10     .25  .142  .221     .084
OD     .139    .5  .097 .76 .084
Wat     .25     0  .303 .61 .180
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Arletti R, Quartieri S, Vezzalini G
 
American Mineralogist 95 (2010) 1247-1256
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
A case of high-pressure-induced over hydration,
Sample: P = 0.0 GPa
Note: assignment of site chemistry does not match chemical analysis
_database_code_amcsd 0017092
20.3266 23.8760 12.8252 90 90 90 Imma
atom     x     y     z  occ  Uiso
Si1  .1889 .1870  .670      .0163
Si2  .1873 .0257  .329      .0163
Si3  .0751 .1839  .833      .0163
Si4  .0772 .0175  .165      .0163
Si5  .2226 .0819  .541      .0163
Si6  .1231 .0848  .967      .0163
O1    .195   .25  .614       .023
O2    .120  .173  .733       .023
O3    .199  .146  .566       .023
O4    .183  .072  .423       .023
O5    .115  .035  .274       .023
O6    .092   .25  .872       .023
O7     .00  .175  .794       .023
O8     .00  .027  .196       .023
O9    .186 .0391  .619       .023
O10   .106 .1515  .942       .023
O11   .086  .074  .085       .023
O12   .199 .0732  .967       .023
O13   .099  .037  .881       .023
O14    .25  .173   .75       .023
O15    .25 -.027   .75       .023
CaX1   .00  .178  .132  .48  .154
OX2   .181 .1653  .235 1.29  .154
OX3   .204   .25  .090  .56  .154
OX4   .099  .183  .463  .65  .154
OX5    .00   .25  .555  .81  .154
OX6    .00 -.043  .417 1.11  .154
CaX7  .063  .153  .376  .40  .154
OX8   .035  .135  .585  .72  .154
CaX9  .062   .25  .286  .46  .154
OX10  .125   .25  .070 1.07  .154
OX11  .202   .25  .369  .73  .154
OX12  .219   .25  .243  .45  .154
OX13   .00  .060  .408  .98  .154
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Arletti R, Quartieri S, Vezzalini G
 
American Mineralogist 95 (2010) 1247-1256
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
A case of high-pressure-induced over hydration,
Sample: P = 2.5 GPa
Note: assignment of site chemistry does not match chemical analysis
_database_code_amcsd 0017093
20.082 23.613 12.709 90 90 90 Imma
atom     x     y     z  occ  Uiso
Si1  .1907 .1862 .6680       .015
Si2  .1855 .0256  .322       .015
Si3  .0781 .1860  .833       .015
Si4   .078 .0198  .164       .015
Si5  .2217 .0784  .543       .015
Si6  .1259 .0843  .963       .015
O1    .180   .25  .614       .027
O2    .123  .168  .729       .027
O3    .201  .144  .569       .027
O4    .201  .068  .418       .027
O5    .110  .037  .274       .027
O6    .100   .25  .857       .027
O7     .00  .173  .833       .027
O8     .00  .029  .197       .027
O9    .187  .032  .614       .027
O10   .093  .146  .936       .027
O11   .080  .065  .063       .027
O12   .203  .085  .976       .027
O13   .103  .044  .866       .027
O14    .25  .183   .75       .027
O15    .25 -.023   .75       .027
CaX1   .00  .186  .172  .51  .164
OX2   .164  .157  .206 1.30  .164
OX3   .229   .25  .058  .87  .164
OX4   .092  .136  .421  .70  .164
OX5    .00   .25  .577 1.65  .164
OX6    .00 -.040  .449 1.19  .164
CaX7  .089  .171  .417  .40  .164
OX8   .044  .110  .621  .77  .164
CaX9  .046   .25  .291  .42  .164
OX10  .117   .25  .061  .99  .164
OX11  .193   .25  .340  .97  .164
OX12  .190   .25  .213  .81  .164
OX13    .0  .088  .352  .91  .164
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Arletti R, Quartieri S, Vezzalini G
 
American Mineralogist 95 (2010) 1247-1256
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
A case of high-pressure-induced over hydration,
Sample: P = 3.6 GPa
Note: assignment of site chemistry does not match chemical analysis
_database_code_amcsd 0017094
19.949 23.445 12.607 90 90 90 Imma
atom     x      y    z  occ Uiso
Si1  .1891  .1880 .679      .015
Si2  .1883  .0230 .318      .015
Si3  .0788  .1821 .838      .015
Si4  .0802  .0183 .165      .015
Si5  .2179  .0783 .542      .015
Si6  .1260  .0818 .965      .015
O1    .187    .25 .613      .051
O2    .118   .173 .726      .051
O3    .209   .145 .573      .051
O4    .204   .067 .417      .051
O5    .112   .040 .277      .051
O6    .092    .25 .858      .051
O7       0   .172 .812      .051
O8       0   .027 .172      .051
O9    .175   .037 .617      .051
O10   .093   .142 .942      .051
O11   .088   .071 .078      .051
O12   .204   .073 .974      .051
O13   .106   .046 .863      .051
O14    .25  .1927  .75      .051
O15    .25 -.0462  .75      .051
CaX1     0   .198 .119  .51 .165
OX2   .173   .157 .195 1.16 .165
OX3   .306    .25 .115  .88 .165
OX4   .098   .155 .315  .77 .165
OX5      0    .25 .559 1.61 .165
OX6      0  -.042 .441 1.19 .165
CaX7  .079   .163 .443  .37 .165
OX8  .0504   .111 .605  .85 .165
CaX9  .012    .25 .319  .45 .165
OX10  .175    .25 .006 1.19 .165
OX11  .123    .25 .232 1.01 .165
OX12  .222    .25 .157  .86 .165
OX13     0   .057 .359  .90 .165
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boggsite
Download hom/boggsite.pdf
Arletti R, Quartieri S, Vezzalini G
 
American Mineralogist 95 (2010) 1247-1256
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
A case of high-pressure-induced over hydration,
Sample: P = 0.0 GPa on release of pressure
Note: assignment of site chemistry does not match chemical analysis
_database_code_amcsd 0017095
20.326 23.883 12.836 90 90 90 Imma
atom     x      y    z  occ Uiso
Si1  .1889  .1853 .669      .015
Si2  .1852  .0209 .324      .015
Si3  .0774  .1854 .834      .015
Si4  .0780  .0236 .167      .015
Si5  .2237  .0796 .532      .015
Si6  .1211  .0826 .960      .015
O1    .185    .25 .628      .012
O2    .117   .173 .727      .012
O3    .202   .141 .576      .012
O4    .189   .071 .415      .012
O5    .114   .044 .275      .012
O6    .084    .25 .867      .012
O7     .00   .173 .801      .012
O8     .00   .028 .196      .012
O9    .191  .0404 .618      .012
O10   .098  .1450 .931      .012
O11   .092  .0678 .074      .012
O12  .1988  .0812 .968      .012
O13   .103  .0375 .874      .012
O14    .25   .185  .75      .012
O15    .25 -.0266  .75      .012
CaX1   .00   .180 .144  .53 .174
OX2   .186   .164 .221 1.15 .174
OX3   .198    .25 .077  .59 .174
OX4   .130   .177 .495  .53 .174
OX5    .00    .25 .520  .96 .174
OX6    .00  -.044 .409 1.11 .174
CaX7  .079   .142 .379  .44 .174
OX8   .050   .141 .577  .71 .174
CaX9  .064    .25 .294  .41 .174
OX10  .107    .25 .075  .91 .174
OX11  .179    .25 .351  .96 .174
OX12  .218    .25 .157  .44 .174
OX13   .00   .079 .407  .90 .174
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: 8
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