American Mineralogist Crystal Structure Database

5 matching records for this search.

Brewsterite-Sr
Download hom/brewsteritesr.pdf
Akizuki M, Kudoh Y, Kuribayashi T
Download am/vol81/AM81_1501.pdf
American Mineralogist 81 (1996) 1501-1506
Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
Sample: {011} sector
_database_code_amcsd 0001843
6.786 17.517 7.742 89.85 94.07 90.12 P-1
atom        x      y      z occ Biso
SiTa    .3166  .0791  .8224 .65  .99
AlTa    .3166  .0791  .8224 .35  .99
SiTa'   .3163  .4208  .8227 .60 1.05
AlTa'   .3163  .4208  .8227 .40 1.05
SiTb    .4117  .0582  .2095 .80 1.01
AlTb    .4117  .0582  .2095 .20 1.01
SiTb'   .4102  .4417  .2109 .80  .99
AlTb'   .4102  .4417  .2109 .20  .99
SiTc    .5547  .1582  .5225 .60  .91
AlTc    .5547  .1582  .5225 .40  .91
SiTc'   .5541  .3417  .5344 .60  .91
AlTc'   .5541  .3417  .5344 .40  .91
SiTd    .9045  .0520  .6416 .90  .99
AlTd    .9045  .0520  .6416 .10  .99
SiTd'   .9043  .4480  .6412      .94
O1      .3542  .1052  .0279      1.4
O1'     .3518  .3950  .0308      1.4
O2      .4289  .1255  .3537      2.0
O2'     .4259  .3745  .3550      2.0
O3      .7811  .1219  .5454      1.7
O3'     .7807  .3786  .5466      1.5
O4      .4414  .1385  .7080      1.9
O4'     .4419  .3609  .7092      2.0
O5      .0774  .0898  .7711      2.1
O5'     .0758  .4104  .7691      2.0
O6      .2348  .9985  .2444      2.6
O6'     .2346  .5014  .2485      2.5
O7      .3807  .9888  .7987      1.3
O7'     .3822  .5115  .7986      1.4
O8          0      0     .5      2.9
O8'         0     .5     .5      2.8
O9      .5688  .2501  .5044      2.6
Sr     .24861 .25009 .17502 .50 1.74
Ba     .24861 .25009 .17502 .45 1.74
K      .24861 .25009 .17502 .01 1.74
Wat10   .0569  .2503  .4667      3.7
Wat11   .9340  .1465  .1446      4.8
Wat11'  .9302  .3535  .1458      4.8
Wat12   .5996  .2504  .0289      4.1
Wat13    .081  .2499  .8619      4.0
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View JMOL 3-D Structure (permalink)
 
Brewsterite-Sr
Download hom/brewsteritesr.pdf
Akizuki M, Kudoh Y, Kuribayashi T
Download am/vol81/AM81_1501.pdf
American Mineralogist 81 (1996) 1501-1506
Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
Sample: {010} sector
_database_code_amcsd 0001845
6.785 17.546 7.740 89.98 94.25 90.06 P-1
atom       x      y      z occ Biso
SiTa   .3192  .0797  .8229 .65 1.38
AlTa   .3192  .0797  .8229 .35 1.38
SiTa'  .3187  .4201  .8230 .60 1.39
AlTa'  .3187  .4201  .8230 .40 1.39
SiTb   .4093  .0573  .2110 .80 1.41
AlTb   .4093  .0573  .2110 .20 1.41
SiTb'  .4091  .4425  .2107 .80 1.40
AlTb'  .4091  .4425  .2107 .20 1.40
SiTc   .5550  .1583  .5335 .50 1.37
AlTc   .5550  .1583  .5335 .50 1.37
SiTc'  .5539  .3421  .5333 .60 1.32
AlTc'  .5539  .3421  .5333 .40 1.32
SiTd   .9065  .0527  .6415 .95 1.39
AlTd   .9065  .0527  .6415 .05 1.39
SiTd'  .9060  .4474  .6417 .95 1.37
AlTd'  .9060  .4474  .6417 .05 1.37
Sr     .2495 .24969 .17696 .67 1.26
Ba     .2495 .24969 .17696 .24 1.26
K      .2495 .24969 .17696 .01 1.26
O1     .3532  .1051  .0310      1.9
O1'    .3533  .3945  .0315      1.9
O2     .4240  .1249  .3562      2.7
O2'    .4246  .3753  .3576      2.6
O3     .7851  .1226  .5479      2.3
O3'    .7820  .3780  .5465      2.2
O4     .4457  .1400  .7130      2.5
O4'    .4450  .3604  .7114      2.5
O5     .0814  .0898  .7689      2.5
O5'    .0798  .4098  .7677      2.4
O6     .2313  .9977  .2417      3.1
O6'    .2309  .5020  .2423      3.0
O7     .3829  .9899  .7967      1.9
O7'    .3827  .5105  .7964      2.0
O8         0      0     .5      3.8
O8'        0     .5     .5      3.5
O9      .568  .2503  .5011      2.9
Wat10   .056  .2497  .4676      4.1
Wat11   .931  .1470   .147      5.6
Wat11'  .930  .3527   .148      5.6
Wat12   .603  .2493   .029      5.2
Wat13   .076  .2495  .8628      4.8
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Brewsterite-Sr
Download hom/brewsteritesr.pdf
Alberti A, Sacerdoti M, Quartieri S, Vezzalini G
 
Physics and Chemistry of Minerals 26 (1999) 181-186
Heating-induced phase transformation in zeolite brewsterite:
new 4- and 5-coordinated (Si,Al) sites
Sample: BR280R
_database_code_amcsd 0008168
6.676 16.547 7.543 90 94.41 90 P2_1/m
atom      x     y     z  occ Uiso
Sr1    .570   1/4  .066 .338 .127
Sr2    .067   1/4  .568 .236 .098
Sr3    .833  .132  .083 .118  .27
Sr4    .055   1/4  .398 .160  .29
Sr5    .716   1/4 -.054 .064  .10
SiT1   .318 .0856  .829  .69 .055
AlT11  .231  .160  .847  .31 .055
SiT2   .407 .0650  .195  .80 .074
AlT21  .227  .375  .207  .20 .074
SiT3   .567 .1602  .540  .75 .074
AlT3   .567 .1602  .540  .25 .074
SiT4   .912 .0427  .652  .75 .066
AlT4   .912 .0427  .652  .25 .066
O1     .347  .118  .014       .12
O2     .473  .139  .341       .15
O3     .769  .115  .591       .17
O4     .414  .145  .697       .13
O5     .078  .085  .773       .15
O6     .199  .019  .236       .13
O7     .396  .996  .811  .80  .09
Wat71  .103   1/4  .785  .91  .17
Wat72  .231   1/4  .186  .67  .06
O73   -.032  .154  .219  .20  .16
O8        0     0   1/2       .09
O9     .633   1/4  .525       .11
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brewsterite-Sr
Download hom/brewsteritesr.pdf
Perrotta A J, Smith J V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=17&spage=857
Acta Crystallographica 17 (1964) 857-862
The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O
Locality: Strontian, Argyll, Scotland
Note: zeolite
_database_code_amcsd 0009286
6.772 17.51 7.744 90 94.30 90 P2_1/m
atom     x     y     z occ Biso
Sr   .2507   .25 .1778 .58 1.02
Ba   .2507   .25 .1778 .30 1.02
Ca   .2507   .25 .1778 .14 1.02
AlA  .3187 .0814 .8220 .33  .95
AlB  .4053 .0568 .2105 .33  .84
AlC  .5566 .1584 .5345 .33  .86
SiA  .3187 .0814 .8220 .67  .95
SiB  .4053 .0568 .2105 .67  .84
SiC  .5566 .1584 .5345 .67  .86
SiD  .9106 .0527 .6412      .88
O1   .3461 .1057 .0286      1.5
O2   .4244 .1227 .3600      2.4
O3   .7909 .1214 .5466      1.5
O4   .4519 .1406 .7141      1.6
O5   .0731 .0915 .7604      2.3
O6   .2212 .9970 .2379      2.5
O7   .3835 .9920 .7959      1.7
O8       0     0    .5      2.6
O9   .5765   .25 .4986      2.1
Wat1 .0545   .25 .4703 .98  3.5
Wat2 .9319 .1469 .1537 .98  5.7
Wat3 .5896   .25 .0256 .98  4.6
Wat4 .0544   .25 .8642 .98  2.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brewsterite-Sr
Download hom/brewsteritesr.pdf
Schlenker J L, Pluth J J, Smith J V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=2907
Acta Crystallographica B33 (1977) 2907-2910
Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O
_database_code_amcsd 0009605
6.793 17.573 7.759 90 94.54 90 P2_1/m
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr    .2501   .25 .1780 .71  .0080  .0009  .0042      0  .0005      0
Ba    .2501   .25 .1780 .24  .0080  .0009  .0042      0  .0005      0
K     .2501   .25 .1780 .01  .0080  .0009  .0042      0  .0005      0
Al(A) .3218 .0812 .8224 .27  .0054  .0013  .0029  .0001  .0002      0
Si(A) .3218 .0812 .8224 .73  .0054  .0013  .0029  .0001  .0002      0
Al(B) .4054 .0566 .2108 .37  .0068  .0012  .0036  .0001  .0005  .0001
Si(B) .4054 .0566 .2108 .63  .0068  .0012  .0036  .0001  .0005  .0001
Al(C) .5553 .1582 .5336 .36  .0064  .0011  .0031  .0002  .0007  .0002
Si(C) .5553 .1582 .5336 .64  .0064  .0011  .0031  .0002  .0007  .0002
Si(D) .9087 .0528 .6410      .0050  .0010  .0036  .0002      0 -.0001
O1    .3501 .1059 .0283      .0122  .0018  .0037 -.0003  .0009 -.0002
O2    .4218 .1240 .3607      .0104  .0029  .0062  .0008  .0009 -.0013
O3    .7825 .1211 .5454      .0096  .0019  .0071  .0013  .0012  .0009
O4    .4500 .1408 .7150      .0117  .0021  .0054  .0001  .0029  .0006
O5    .0850 .0920 .7615      .0081  .0025  .0097  .0022 -.0022 -.0020
O6    .2228 .9966 .2388      .0139  .0022  .0128 -.0012  .0022  .0021
O7    .3851 .9921 .7952      .0094  .0016  .0074  .0006  .0005 -.0004
O8        0     0    .5      .0189  .0030  .0096  .0029 -.0015 -.0030
O9    .5718   .25 .4994      .0204  .0014  .0134      0  .0089      0
Wat1  .0598   .25 .4699      .0256  .0040  .0123      0  .0063      0
Wat2  .9286 .1474 .1518      .0234  .0045  .0299  .0007  .0079  .0035
Wat3  .5996   .25 .0241      .0185  .0037  .0224      0  .0067      0
Wat4  .0665   .25 .8660      .0395  .0022  .0112      0 -.0017      0
Download AMC data (View Text File)
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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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