|
Brewsterite-Sr |
 |
Akizuki M, Kudoh Y, Kuribayashi T |
 |
American Mineralogist 81 (1996) 1501-1506 |
|
Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite |
|
Sample: {011} sector |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brewsterite-Sr |
|
Akizuki M, Kudoh Y, Kuribayashi T |
|
American Mineralogist 81 (1996) 1501-1506 |
|
Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite |
|
Sample: {010} sector |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brewsterite-Sr |
|
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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brewsterite-Sr |
|
Perrotta A J, Smith J V |
 |
Acta Crystallographica 17 (1964) 857-862 |
|
The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O |
|
Locality: Strontian, Argyll, Scotland |
|
Note: zeolite |
|
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
|
| |
|
Brewsterite-Sr |
|
Schlenker J L, Pluth J J, Smith J V |
|
Acta Crystallographica B33 (1977) 2907-2910 |
|
Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
