|
Lawsonite |
 |
Baur W H |
 |
American Mineralogist 63 (1978) 311-315 |
|
Crystal structure refinement of lawsonite |
|
Locality: Tiburon Peninsula, Marin County, California, USA |
|
_database_code_amcsd 0000639 |
|
8.795 5.847 13.142 90 90 90 Ccmm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .33305 0 .25 .0030 .00530 .00133 0 0 0 |
|
Al .25 .25 0 .0015 .00309 .00106 -.00012 -.00007 .00003 |
|
Si .98040 0 .13298 .0014 .00343 .00099 0 .00002 0 |
|
O1 .0495 0 .25 .0023 .0081 .0009 0 0 0 |
|
O2 .3788 .2726 .1169 .0024 .0047 .0014 -.0008 -.0003 .0004 |
|
O3 .1378 0 .06505 .0017 .0042 .0013 0 .0003 0 |
|
Oh4 .6391 0 .0479 .0019 .0048 .0018 0 .0004 0 |
|
OW5 .6097 0 .25 .0040 .0226 .0014 0 0 0 |
|
H(w) .639 0 .194 2.6 |
|
H(oh) .587 0 .056 7.0 |
|
H(w)geom .6731 0 .1905 |
|
H(oh)el .5329 0 .0704 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 110 K |
|
_database_code_amcsd 0001763 |
|
5.855 8.762 13.094 90 90 90 *P2_1cn |
|
.25 .25 0 |
|
atom x y z Biso |
|
Ca .0066 .33176 .25106 .311 |
|
Al .25 .24952 -.00036 .192 |
|
Ala .2458 .25214 .50131 .162 |
|
Si -.0031 .98003 .13181 .198 |
|
Sia -.0010 .97795 .36558 .205 |
|
O1 -.0076 .0499 .24891 .35 |
|
O2 .2752 .3731 .1192 .367 |
|
O2a .2675 .3818 .38584 .367 |
|
O2b .7237 .6235 .88203 .367 |
|
O2c .7239 .6281 .62160 .367 |
|
O3 .0024 .13682 .06297 .29 |
|
O3a -.0011 .13475 .43428 .32 |
|
O4a -.0007 .6320 .45967 .31 |
|
O4 -.0062 .6395 .05075 .38 |
|
O5 -.0130 .6094 .24811 .66 |
|
Hw -.004 .640 .183 2.8 |
|
Hwa .958 .689 .283 3.4 |
|
Hh .008 .539 .037 2.5 |
|
Hha .043 .576 .414 5.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 155 K |
|
_database_code_amcsd 0001764 |
|
5.853 8.766 13.100 90 90 90 *Pmcn |
|
.25 .25 0 |
|
atom x y z Biso |
|
Ca 0 .33211 .25098 .409 |
|
Al .25 .25 0 .198 |
|
Ala .25 .25 .5 .226 |
|
Si 0 .98030 .13184 .232 |
|
Sia 0 .97837 .36563 .242 |
|
O1 0 .05004 .24891 .416 |
|
O2 .2756 .37319 .12012 .446 |
|
O2a .27153 .37979 .38414 .343 |
|
O3 0 .1373 .06313 .34 |
|
O3a 0 .1355 .43421 .33 |
|
O4 0 .6402 .05104 .35 |
|
O4a 0 .6328 .45915 .43 |
|
O5 0 .6087 .24826 .89 |
|
Hw 0 .642 .187 1.9 |
|
Hwa 0 .678 .287 3.5 |
|
Hh 0 .541 .035 3.6 |
|
Hha 0 .571 .415 7.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 233 K |
|
_database_code_amcsd 0001765 |
|
5.852 8.777 13.113 90 90 90 *Pmcn |
|
.25 .25 0 |
|
atom x y z Biso |
|
Ca 0 .33250 .25075 .553 |
|
Al .25 .25 0 .269 |
|
Ala .25 .25 .5 .283 |
|
Si 0 .98049 .13200 .285 |
|
Sia 0 .97895 .36589 .299 |
|
O1 0 .0498 .24919 .51 |
|
O2 .2749 .37470 .11942 .52 |
|
O2a .2716 .38008 .38420 .45 |
|
O3 0 .1375 .06359 .39 |
|
O3a 0 .1360 .43420 .42 |
|
O4 0 .6406 .05084 .44 |
|
O4a 0 .6346 .45757 .57 |
|
O5 0 .6089 .24855 1.19 |
|
Hw 0 .647 .187 3.4 |
|
Hwa 0 .677 .287 3.3 |
|
Hh 0 .555 .038 7.2 |
|
Hha 0 .571 .423 9.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 295 K |
|
_database_code_amcsd 0001766 |
|
5.847 8.790 13.128 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ca 0 .33321 .25 .694 |
|
Al .25 .25 0 .341 |
|
Si 0 .98043 .13300 .348 |
|
O1 0 .0496 .25 .64 |
|
O2 .27263 .37884 .11693 .583 |
|
O3 0 .13758 .06497 .470 |
|
O4 0 .63922 .04793 .645 |
|
O5 0 .6093 .25 1.56 |
|
Hw 0 .660 .199 3.9 |
|
Hh 0 .559 .054 7.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 410 K |
|
_database_code_amcsd 0001767 |
|
5.851 8.799 13.136 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ca 0 .33330 .25 .866 |
|
Al .25 .25 0 .422 |
|
Si 0 .98045 .13297 .408 |
|
O1 0 .0492 .25 .76 |
|
O2 .27274 .37907 .11683 .684 |
|
O3 0 .13763 .06521 .561 |
|
O4 0 .63952 .04797 .729 |
|
O5 0 .6097 .25 1.91 |
|
Hw 0 .661 .199 4.1 |
|
Hh 0 .563 .056 6.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Libowitzky E, Armbruster T |
|
American Mineralogist 80 (1995) 1277-1285 |
|
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite |
|
Sample: T = 500 K |
|
_database_code_amcsd 0001768 |
|
5.857 8.810 13.150 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ca 0 .33317 .25 1.176 |
|
Al .25 .25 0 .568 |
|
Si 0 .98025 .13294 .525 |
|
O1 0 .0485 .25 .99 |
|
O2 .27290 .37930 .11678 .860 |
|
O3 0 .13750 .06561 .738 |
|
O4 0 .63971 .04781 .900 |
|
O5 0 .6103 .25 2.47 |
|
Hw 0 .659 .198 3.6 |
|
Hh 0 .565 .045 7.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Comodi P, Zanazzi P F |
|
American Mineralogist 81 (1996) 833-841 |
|
Effects of temperature and pressure on the structure of lawsonite |
|
P = 0.001 kbar, T = 23 C |
|
_database_code_amcsd 0001800 |
|
8.797 5.852 13.126 90 90 90 Ccmm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .3331 0 .25 .0124 .0098 .0084 0 0 0 |
|
Al .25 .25 0 .0060 .0059 .0058 .0002 -.0003 -.0004 |
|
Si .9805 0 .1330 .0053 .0062 .0051 0 .0000 0 |
|
O1 .0496 0 .25 .0086 .0146 .0051 0 0 0 |
|
O2 .3788 .2727 .1170 .0095 .0085 .0086 .0014 -.0019 -.0021 |
|
O3 .1375 0 .0651 .0072 .0082 .0066 0 .0011 0 |
|
O4 .6394 0 .0478 .0079 .0090 .0120 0 .0025 0 |
|
O5 .6092 0 .25 .0145 .039 .0112 0 0 0 |
|
HW .668 0 .301 .09 |
|
H .556 0 .058 .11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Comodi P, Zanazzi P F |
|
American Mineralogist 81 (1996) 833-841 |
|
Effects of temperature and pressure on the structure of lawsonite |
|
P = 0.5 kbar, T = 23 C |
|
_database_code_amcsd 0001801 |
|
8.789 5.843 13.127 90 90 90 Ccmm |
|
atom x y z Uiso |
|
Ca .3330 0 .25 .0102 |
|
Al .25 .25 0 .0058 |
|
Si .9802 0 .1329 .0057 |
|
O1 .0499 0 .25 .0075 |
|
O2 .3797 .2722 .1173 .0090 |
|
O3 .1378 0 .0646 .0072 |
|
O4 .6385 0 .0481 .0103 |
|
O5 .6094 0 .25 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Comodi P, Zanazzi P F |
|
American Mineralogist 81 (1996) 833-841 |
|
Effects of temperature and pressure on the structure of lawsonite |
|
P = 28.7 kbar, T = 23 C |
|
_database_code_amcsd 0001802 |
|
8.717 5.805 13.036 90 90 90 Ccmm |
|
atom x y z Uiso |
|
Ca .3322 0 .25 .0122 |
|
Al .25 .25 0 .0073 |
|
Si .9797 0 .1334 .0084 |
|
O1 .051 0 .25 .0054 |
|
O2 .3776 .273 .1179 .011 |
|
O3 .1370 0 .0644 .012 |
|
O4 .6358 0 .0475 .0120 |
|
O5 .610 0 .25 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Comodi P, Zanazzi P F |
|
American Mineralogist 81 (1996) 833-841 |
|
Effects of temperature and pressure on the structure of lawsonite |
|
P = 0.001 kbar, T = 444 C |
|
_database_code_amcsd 0001803 |
|
8.852 5.882 13.194 90 90 90 Ccmm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .3327 0 .25 .026 .019 .018 0 0 0 |
|
Al .25 .25 0 .0116 .008 .010 .0004 -.0019 -.0011 |
|
Si .9798 0 .1330 .0099 .0087 .0084 0 .0003 0 |
|
O1 .0467 0 .25 .027 .027 .004 0 0 0 |
|
O2 .3796 .2728 .1167 .016 .010 .017 .001 -.005 -.004 |
|
O3 .1374 0 .0659 .012 .015 .011 0 .000 0 |
|
O4 .6406 0 .0474 .008 .010 .019 0 .0031 0 |
|
O5 .611 0 .25 .039 .066 .020 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Comodi P, Zanazzi P F |
|
American Mineralogist 81 (1996) 833-841 |
|
Effects of temperature and pressure on the structure of lawsonite |
|
P = 0.001 kbar, T = 538 C |
|
_database_code_amcsd 0001804 |
|
8.860 5.888 13.201 90 90 90 Ccmm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .3326 0 .25 .031 .025 .036 0 0 0 |
|
Al .25 .25 0 .014 .010 .027 .0000 -.0024 -.0019 |
|
Si .9799 0 .1329 .0111 .0110 .024 0 .0000 0 |
|
O1 .046 0 .25 .031 .031 .017 0 0 0 |
|
O2 .3793 .2736 .1168 .020 .015 .032 .000 -.005 -.004 |
|
O3 .1373 0 .0658 .014 .019 .028 0 .000 0 |
|
O4 .6396 0 .0466 .014 .013 .034 0 .0074 0 |
|
O5 .613 0 .25 .046 .079 .035 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 2 K |
|
_database_code_amcsd 0002632 |
|
5.86465 8.7652 13.1002 90 90 90 P2_1cn |
|
atom x y z occ Uiso |
|
Ca -.266 .0812 .2511 .0035 |
|
Al 0 -.000 -.002 .97 .0015 |
|
Fe 0 -.000 -.002 .03 .0015 |
|
Ala .002 -.002 .498 .97 .0015 |
|
Fea .002 -.002 .498 .03 .0015 |
|
Si -.248 .731 .133 .0021 |
|
Sia -.250 .727 .366 .0021 |
|
O1 -.239 -.2016 .2485 .0030 |
|
O2 .024 .1185 .1250 .0027 |
|
O2a .021 .1261 .3819 .0027 |
|
O2b .474 .3674 .8870 .0027 |
|
O2c .475 .3740 .6170 .0027 |
|
O3 -.253 -.1130 .0636 .0015 |
|
O3a -.252 -.1155 .4339 .0015 |
|
O4 -.258 .3916 .0513 .0016 |
|
O4a -.247 .3806 .4613 .0016 |
|
O5 -.234 .3589 .2479 .0041 |
|
Dw -.250 .3826 .1721 .0226 |
|
Dwa .699 .4402 .2841 .035 |
|
Dh -.250 .2797 .0290 .0193 |
|
Dha -.234 .3227 .4014 .028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 50 K |
|
_database_code_amcsd 0002633 |
|
5.8639 8.76442 13.099 90 90 90 P2_1cn |
|
atom x y z occ Uiso |
|
Ca -.272 .0811 .2506 .0026 |
|
Al 0 .000 -.004 .97 .0013 |
|
Fe 0 .000 -.004 .03 .0013 |
|
Ala -.006 -.002 .497 .97 .0013 |
|
Fea -.006 -.002 .497 .03 .0013 |
|
Si -.253 .730 .132 .0011 |
|
Sia -.254 .727 .366 .0011 |
|
O1 -.247 -.2016 .2485 .0044 |
|
O2 .017 .1185 .1248 .0028 |
|
O2a .013 .1255 .3819 .0028 |
|
O2b .466 .3664 .8869 .0028 |
|
O2c .478 .3741 .6170 .0028 |
|
O3 -.261 -.1132 .0635 .0014 |
|
O3a -.257 -.1154 .4337 .0014 |
|
O4 -.264 .3912 .0512 .0022 |
|
O4a -.255 .3806 .4609 .0022 |
|
O5 -.239 .3592 .2482 .0039 |
|
Dw -.259 .3827 .1726 .0226 |
|
Dwa .694 .4408 .2843 .032 |
|
Dh -.256 .2792 .0288 .0217 |
|
Dha -.243 .3225 .4017 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 100 K |
|
_database_code_amcsd 0002634 |
|
5.86332 8.76659 13.1021 90 90 90 P2_1cn |
|
atom x y z occ Uiso |
|
Ca -.269 .0813 .2503 .0033 |
|
Al 0 .000 -.004 .97 .0017 |
|
Fe 0 .000 -.004 .03 .0017 |
|
Ala .005 -.002 .505 .97 .0017 |
|
Fea .005 -.002 .505 .03 .0017 |
|
Si -.252 .730 .132 .0018 |
|
Sia -.249 .727 .366 .0018 |
|
O1 -.244 -.20172 .2485 .0046 |
|
O2 .018 .1184 .1218 .0037 |
|
O2a .015 .127 .3862 .0037 |
|
O2b .467 .3675 .8824 .0037 |
|
O2c .470 .374 .6197 .0037 |
|
O3 -.257 -.1135 .0637 .0016 |
|
O3a -.256 -.1147 .4341 .0016 |
|
O4 -.263 .3919 .0513 .0026 |
|
O4a -.255 .3806 .4609 .0026 |
|
O5 -.241 .3590 .2485 .0072 |
|
Dw -.260 .3842 .1726 .0243 |
|
Dwa .701 .4410 .2851 .036 |
|
Dh -.254 .2797 .0295 .0216 |
|
Dha -.240 .3218 .4024 .030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 130 K |
|
_database_code_amcsd 0002635 |
|
5.86243 8.76981 13.1063 90 90 90 Pmcn |
|
atom x y z occ Uiso |
|
Ca -.25 .0812 .2496 .0059 |
|
Al 0 0 0 .97 .0010 |
|
Fe 0 0 0 .03 .0010 |
|
Ala 0 0 .5 .97 .0010 |
|
Fea 0 0 .5 .03 .0010 |
|
Si -.25 .7298 .1319 .0029 |
|
Sia -.25 .7285 .3659 .0029 |
|
O1 -.25 -.2019 .2487 .0042 |
|
O2 .0243 .1226 .1207 .0040 |
|
O2a .0230 .1230 .3848 .0040 |
|
O3 -.25 -.1139 .0628 .0023 |
|
O3a -.25 -.1136 .4333 .0023 |
|
O4 -.25 .3925 .0514 .0029 |
|
O4a -.25 .3812 .4612 .0029 |
|
O5 -.25 .3575 .2482 .0121 |
|
Dw -.25 .3841 .1723 .0280 |
|
Dwa -.25 .4379 .2878 .059 |
|
Dd -.25 .2797 .0313 .0213 |
|
Dda -.25 .3189 .4042 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 175 K |
|
_database_code_amcsd 0002636 |
|
5.86092 8.77586 13.1132 90 90 90 Pmcn |
|
atom x y z occ Uiso |
|
Ca -.25 .0810 .2493 .0065 |
|
Al 0 0 0 .97 .0016 |
|
Fe 0 0 0 .03 .0016 |
|
Ala 0 0 .5 .97 .0016 |
|
Fea 0 0 .5 .03 .0016 |
|
Si -.25 .7291 .1324 .0038 |
|
Sia -.25 .7292 .3664 .0038 |
|
O1 -.25 -.2020 .2488 .0057 |
|
O2 .0235 .1231 .1202 .0045 |
|
O2a .0230 .1305 .3847 .0045 |
|
O3 -.25 -.1137 .0636 .0027 |
|
O3a -.25 -.1137 .4332 .0027 |
|
O4 -.25 .3934 .0512 .0044 |
|
O4a -.25 .3822 .4601 .0044 |
|
O5 -.25 .3580 .2484 .0142 |
|
Dw -.25 .3875 .1734 .032 |
|
Dwa -.25 .4371 .2902 .058 |
|
Dd -.25 .2796 .0329 .0238 |
|
Dda -.25 .3158 .4063 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 225 K |
|
_database_code_amcsd 0002637 |
|
5.85942 8.78269 13.1209 90 90 90 Pmcn |
|
atom x y z occ Uiso |
|
Ca -.25 .0812 .2492 .0083 |
|
Al 0 0 0 .97 .0026 |
|
Fe 0 0 0 .03 .0026 |
|
Ala 0 0 .5 .97 .0026 |
|
Fea 0 0 .5 .03 .0026 |
|
Si -.25 .7298 .1323 .0039 |
|
Sia -.25 .7291 .3660 .0039 |
|
O1 -.25 -.2022 .2492 .0061 |
|
O2 .0224 .1242 .1195 .0049 |
|
O2a .0234 .1304 .3845 .0049 |
|
O3 -.25 -.1138 .0638 .0039 |
|
O3a -.25 -.1129 .4330 .0039 |
|
O4 -.25 .3943 .0515 .0049 |
|
O4a -.25 .3835 .4594 .0049 |
|
O5 -.25 .3586 .2488 .0183 |
|
Dw -.25 .3912 .1746 .038 |
|
Dwa -.25 .4337 .2925 .060 |
|
Dd -.25 .2794 .0350 .026 |
|
Dda -.25 .3132 .4092 .043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 268 K |
|
_database_code_amcsd 0002638 |
|
5.85539 8.79152 13.1326 90 90 90 Pmcn |
|
atom x y z occ Uiso |
|
Ca -.25 .0803 .2471 .0092 |
|
Al 0 0 0 .97 .0040 |
|
Fe 0 0 0 .03 .0040 |
|
Ala 0 0 .5 .97 .0040 |
|
Fea 0 0 .5 .03 .0040 |
|
Si -.25 .731 .1312 .0037 |
|
Sia -.25 .729 .3664 .0037 |
|
O1 -.25 -.2034 .2510 .0068 |
|
O2 .021 .1270 .1179 .0050 |
|
O2a .024 .1289 .3842 .0050 |
|
O3 -.25 -.1135 .0661 .0034 |
|
O3a -.25 -.1116 .4333 .0034 |
|
O4 -.25 .3936 .0516 .0076 |
|
O4a -.25 .3868 .4577 .0076 |
|
O5 -.25 .3599 .249 .022 |
|
Dw -.25 .407 .1805 .057 |
|
Dwa -.25 .420 .3015 .064 |
|
Dd -.25 .2781 .0383 .036 |
|
Dda -.25 .307 .4178 .052 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 285 K |
|
_database_code_amcsd 0002639 |
|
5.85424 8.79471 13.1365 90 90 90 *Cmcm |
|
.25 .25 0 |
|
atom x y z occ Uiso |
|
Ca -.25 .0804 .25 .011 |
|
Al 0 .25 0 .97 .005 |
|
Fe 0 .25 0 .03 .005 |
|
Si -.25 .7311 .1330 .0042 |
|
O1 -.25 -.2028 .25 .0064 |
|
O2 .0225 .1283 .1166 .0061 |
|
O3 -.25 -.1122 .0675 .0009 |
|
O4 -.25 .3910 .0480 .0128 |
|
O5 -.25 .3606 .25 .017 |
|
Dw -.25 .4153 .1886 .059 |
|
Dd -.25 .2890 .0551 .073 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 300 K |
|
_database_code_amcsd 0002640 |
|
5.8543 8.79679 13.1387 90 90 90 *Cmcm |
|
.25 .25 0 |
|
atom x y z occ Uiso |
|
Ca -.25 .0807 .25 .012 |
|
Al 0 .25 0 .97 .006 |
|
Fe 0 .25 0 .03 .006 |
|
Si -.25 .7311 .1331 .0045 |
|
O1 -.25 -.2030 .25 .0066 |
|
O2 .0226 .1281 .1167 .0063 |
|
O3 -.25 -.1123 .0675 .0013 |
|
O4 -.25 .3913 .0482 .0128 |
|
O5 -.25 .3602 .25 .017 |
|
Dw -.25 .4160 .1886 .060 |
|
Dd -.25 .2889 .0554 .072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 350 K |
|
_database_code_amcsd 0002641 |
|
5.85603 8.80228 13.1442 90 90 90 *Cmcm |
|
.25 .25 0 |
|
atom x y z occ Uiso |
|
Ca -.25 .0805 .25 .014 |
|
Al 0 .25 0 .97 .007 |
|
Fe 0 .25 0 .03 .007 |
|
Si -.25 .7311 .1331 .0049 |
|
O1 -.25 -.2033 .25 .0071 |
|
O2 .0223 .1290 .1164 .0074 |
|
O3 -.25 -.1125 .0677 .0020 |
|
O4 -.25 .3915 .0482 .0142 |
|
O5 -.25 .3615 .25 .021 |
|
Dw -.25 .4160 .1886 .062 |
|
Dd -.25 .2896 .0556 .076 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
American Mineralogist 86 (2001) 566-577 |
|
Displacive components of the low-temperature phase transitions in lawsonite |
|
T = 400 K |
|
_database_code_amcsd 0002642 |
|
5.85851 8.80727 13.149 90 90 90 *Cmcm |
|
.25 .25 0 |
|
atom x y z occ Uiso |
|
Ca -.25 .0803 .25 .014 |
|
Al 0 .25 0 .97 .007 |
|
Fe 0 .25 0 .03 .007 |
|
Si -.25 .7309 .1330 .0052 |
|
O1 -.25 -.2036 .25 .0089 |
|
O2 .0225 .1288 .1165 .0075 |
|
O3 -.25 -.1123 .0678 .0027 |
|
O4 -.25 .3916 .0481 .0137 |
|
O5 -.25 .3607 .25 .022 |
|
Dw -.25 .4161 .1889 .065 |
|
Dd -.25 .2893 .0557 .075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Sondergeld P, Schranz W, Troster A, Armbruster T, Giester G, Kityk A, Carpenter M A |
|
American Mineralogist 90 (2005) 448-456 |
|
Ordering and elasticity associated with low-temperature phase transitions in lawsonite |
|
Sample at T = 215 K |
|
_database_code_amcsd 0003737 |
|
5.8515 8.7768 13.1107 90 90 90 *Pmcn |
|
.25 .25 0 |
|
atom x y z Uiso |
|
Ca 0 .33243 .25072 .00745 |
|
Al .25 .25 0 .00413 |
|
Ala .25 .25 .5 .00383 |
|
Si 0 .98045 .13204 .00417 |
|
Sia 0 .97888 .36585 .00416 |
|
O1 0 .04971 .24903 .00699 |
|
O2 .27482 .37460 .11933 .00705 |
|
O2a .27177 .37994 .38419 .00608 |
|
O3 0 .13736 .06351 .00562 |
|
O3a 0 .13592 .43419 .00576 |
|
O4 0 .64019 .05069 .00593 |
|
O4a 0 .63476 .45762 .00739 |
|
O5 0 .60880 .24857 .01533 |
|
Hw 0 .6420 .1849 .037 |
|
Hwa 0 .681 .2870 .046 |
|
Hh 0 .5395 .0386 .047 |
|
Hha 0 .5638 .4245 .104 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: run #AU63 |
|
Locality: synthetic |
|
_database_code_amcsd 0018934 |
|
5.3032 13.174 5.8436 90 123.76 90 P2_1/m |
|
atom x y z occ |
|
Ca .342 .75 .672 .79 |
|
Sr .342 .75 .672 .21 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .960 .1324 .980 |
|
O1 .927 .75 .957 |
|
O2 .764 .114 .653 |
|
O3 .777 .389 .126 |
|
O4 .280 .068 .143 |
|
OH5 .276 .054 .636 |
|
Wat6 .760 .75 .348 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU62 |
|
Locality: synthetic |
|
_database_code_amcsd 0018935 |
|
5.3300 13.1956 5.8449 90 123.96 90 P2_1/m |
|
atom x y z occ |
|
Ca .3409 .75 .6721 .680 |
|
Sr .3409 .75 .6721 .320 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .962 .1314 .979 |
|
O1 .929 .75 .947 |
|
O2 .764 .116 .653 |
|
O3 .779 .3862 .115 |
|
O4 .291 .0660 .146 |
|
OH5 .282 .0535 .638 |
|
Wat6 .774 .75 .352 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU83 |
|
Locality: synthetic |
|
_database_code_amcsd 0018936 |
|
5.3025 13.174 5.8422 90 123.72 90 P2_1/m |
|
atom x y z occ |
|
Ca .340 .75 .671 .77 |
|
Sr .340 .75 .671 .23 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .966 .1324 .983 |
|
O1 .926 .75 .957 |
|
O2 .760 .115 .653 |
|
O3 .765 .388 .106 |
|
O4 .278 .068 .143 |
|
OH5 .275 .054 .633 |
|
Wat6 .764 .75 .358 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU86 |
|
Locality: synthetic |
|
_database_code_amcsd 0018937 |
|
5.3427 13.2039 5.8448 90 124.10 90 P2_1/m |
|
atom x y z occ |
|
Ca .3431 .75 .6772 .64 |
|
Sr .3431 .75 .6772 .36 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .966 .1332 .986 |
|
O1 .928 .75 .941 |
|
O2 .760 .1148 .661 |
|
O3 .778 .3915 .118 |
|
O4 .280 .0687 .142 |
|
OH5 .277 .0548 .633 |
|
Wat6 .770 .75 .349 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU87 |
|
Locality: synthetic |
|
_database_code_amcsd 0018938 |
|
5.3510 13.2073 5.8443 90 124.17 90 P2_1/m |
|
atom x y z occ |
|
Ca .343 .75 .679 .59 |
|
Sr .343 .75 .6772 .41 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .964 .1319 .987 |
|
O1 .934 .75 .942 |
|
O2 .762 .1155 .656 |
|
O3 .774 .3894 .120 |
|
O4 .280 .0688 .137 |
|
OH5 .280 .0544 .638 |
|
Wat6 .762 .75 .340 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU82 |
|
Locality: synthetic |
|
_database_code_amcsd 0018939 |
|
5.3640 13.2175 5.8452 90 124.25 90 P2_1/m |
|
atom x y z occ |
|
Ca .3428 .75 .6802 .507 |
|
Sr .3428 .75 .6802 .493 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .9653 .1315 .9880 |
|
O1 .937 .75 .939 |
|
O2 .761 .1149 .658 |
|
O3 .776 .3914 .118 |
|
O4 .285 .0686 .141 |
|
OH5 .282 .0542 .637 |
|
Wat6 .758 .75 .329 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU76 |
|
Locality: synthetic |
|
_database_code_amcsd 0018946 |
|
5.8422 8.7904 13.1344 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3337 .25 .982 |
|
Sr 0 .3337 .25 .018 |
|
Al .25 .25 0 |
|
Si 0 .9810 .1329 |
|
O1 0 .0484 .25 |
|
O2 .2734 .3796 .1175 |
|
O3 0 .1390 .0651 |
|
OH4 0 .6391 .0487 |
|
Wat5 0 .609 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU77 |
|
Locality: synthetic |
|
_database_code_amcsd 0018947 |
|
5.8417 8.7904 13.1345 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3320 .25 .971 |
|
Sr 0 .3320 .25 .029 |
|
Al .25 .25 0 |
|
Si 0 .9805 .1332 |
|
O1 0 .0481 .25 |
|
O2 .2725 .3796 .1171 |
|
O3 0 .1387 .0652 |
|
OH4 0 .6401 .0492 |
|
Wat5 0 .608 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU78 |
|
Locality: synthetic |
|
_database_code_amcsd 0018948 |
|
5.8415 8.7916 13.1360 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3328 .25 .965 |
|
Sr 0 .3328 .25 .035 |
|
Al .25 .25 0 |
|
Si 0 .9809 .1330 |
|
O1 0 .048 .25 |
|
O2 .2726 .3796 .1175 |
|
O3 0 .1384 .0652 |
|
OH4 0 .6395 .0489 |
|
Wat5 0 .608 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU79 |
|
Locality: synthetic |
|
_database_code_amcsd 0018949 |
|
5.8419 8.7940 13.1393 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3323 .25 .979 |
|
Sr 0 .3323 .25 .021 |
|
Al .25 .25 0 |
|
Si 0 .9799 .1322 |
|
O1 0 .046 .25 |
|
O2 .2707 .3793 .1162 |
|
O3 0 .1401 .0676 |
|
OH4 0 .6359 .0507 |
|
Wat5 0 .604 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU63 |
|
Locality: synthetic |
|
_database_code_amcsd 0018950 |
|
5.8439 8.8112 13.1618 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3330 .25 .889 |
|
Sr 0 .3330 .25 .111 |
|
Al .25 .25 0 |
|
Si 0 .9824 .1333 |
|
O1 0 .051 .25 |
|
O2 .275 .377 .1199 |
|
O3 0 .139 .064 |
|
OH4 0 .642 .049 |
|
Wat5 0 .606 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU62 |
|
Locality: synthetic |
|
_database_code_amcsd 0018951 |
|
5.8457 8.8286 13.1834 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3320 .25 .807 |
|
Sr 0 .3320 .25 .193 |
|
Al .25 .25 0 |
|
Si 0 .9820 .1365 |
|
O1 0 .044 .25 |
|
O2 .272 .381 .1143 |
|
O3 0 .136 .070 |
|
OH4 0 .640 .051 |
|
Wat5 0 .627 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Liebscher A, Dorsam G, Franz G, Wunder B, Gottschalk M |
|
American Mineralogist 95 (2010) 724-735 |
|
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 |
|
[(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition |
|
Note: Run #AU83 |
|
Locality: synthetic |
|
_database_code_amcsd 0018952 |
|
5.8433 8.8169 13.1726 90 90 90 Cmcm |
|
atom x y z occ |
|
Ca 0 .3312 .25 .82 |
|
Sr 0 .3312 .25 .18 |
|
Al .25 .25 0 |
|
Si 0 .9808 .1324 |
|
O1 0 .049 .25 |
|
O2 .271 .381 .1175 |
|
O3 0 .142 .066 |
|
OH4 0 .641 .049 |
|
Wat5 0 .610 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Armbruster T, Oberhansli R, Bermanec V |
| |
European Journal of Mineralogy 4 (1992) 17-22 |
|
Crystal structure of SrMn2(Si2O7)(OH)2.H2O, a new mineral of the lawsonite type |
|
_database_code_amcsd 0006433 |
|
6.255 9.034 13.397 90 90 90 Cmcm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr 0 .3114 1/4 1.29 .0267 .0142 .0082 0 0 0 |
|
Mn 1/4 1/4 0 .97 .0144 .0126 .0100 -.0029 .0043 -.0030 |
|
Si 0 -.0306 .1322 .93 .017 .011 .007 0 0 0 |
|
O1 0 .022 1/4 1.3 .024 .018 .009 0 0 0 |
|
O2 .285 .3707 .1160 1.5 .024 .015 .016 -.005 .005 -.005 |
|
O3 0 .1259 .0747 1.0 .017 .008 .012 0 0 -.002 |
|
OH4 0 .368 .5413 1.5 .022 .017 .016 0 0 -.007 |
|
Wat5 .043 .607 1/4 .5 1.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Kolesov B A, Lager G A, Schultz A J |
| |
European Journal of Mineralogy 20 (2008) 63-72 |
|
Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and |
|
Raman spectroscopic investigation |
|
Sample: T = 295 K |
|
_database_code_amcsd 0007253 |
|
5.850 8.790 13.122 90 90 90 Cmcm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .3333 .25 .0093 .0095 .0091 .0093 0 0 0 |
|
Al .25 .25 0 .0024 .0014 .0014 .0045 .0001 -.0010 .0003 |
|
Si 0 .9807 .1328 .0028 .0031 .0014 .0041 0 0 -.0008 |
|
O1 0 .0496 .25 .0063 .0104 .0048 .0037 0 0 0 |
|
O2 .2727 .37853 .11698 .0058 .0049 .0057 .0067 -.0026 .0009 -.0023 |
|
O3 0 .1371 .06485 .0040 .0049 .0020 .0052 0 0 .0018 |
|
O4 0 .6382 .0477 .0064 .0055 .0037 .010 0 0 .0028 |
|
O5 0 .6101 .25 .018 .033 .0126 .0091 0 0 0 |
|
Hw 0 .6623 .1886 .062 .050 .068 .068 0 0 .053 |
|
Hh 0 .5383 .0610 .063 .033 .027 .128 0 0 .034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Pawley A R, Allan D R |
| |
Mineralogical Magazine 65 (2001) 41-58 |
|
A high-pressure study of lawsonite using angle-dispersive |
|
powder-diffraction methods with synchrotron radiation |
|
Note: Run #BN82, P = 0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0018953 |
|
5.849 8.790 13.132 90 90 90 Cmcm |
|
atom x y z |
|
Ca 0 .3359 .25 |
|
Al .25 .25 0 |
|
Si 0 .9857 .1262 |
|
O1 0 .046 .25 |
|
O2 .2780 .3815 .1130 |
|
O3 0 .153 .0589 |
|
OH4 0 .6359 .0469 |
|
Wat5 0 .600 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Pawley A R, Allan D R |
| |
Mineralogical Magazine 65 (2001) 41-58 |
|
A high-pressure study of lawsonite using angle-dispersive |
|
powder-diffraction methods with synchrotron radiation |
|
Note: Run #BN89, P = 9.8 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0018954 |
|
5.714 8.592 12.871 90 90 90 Cmcm |
|
atom x y z |
|
Ca 0 .333 .25 |
|
Al .25 .25 0 |
|
Si 0 .9846 .1273 |
|
O1 0 .069 .25 |
|
O2 .275 .381 .1219 |
|
O3 0 .169 .051 |
|
OH4 0 .625 .053 |
|
Wat5 0 .592 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Pawley A R, Allan D R |
| |
Mineralogical Magazine 65 (2001) 41-58 |
|
A high-pressure study of lawsonite using angle-dispersive |
|
powder-diffraction methods with synchrotron radiation |
|
Note: Run #BN90, P = 11.9 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0018955 |
|
5.197 12.863 5.681 90 124.48 90 P2_1/m |
|
atom x y z |
|
Ca .310 .75 .660 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .934 .1326 .939 |
|
O1 .824 .75 .842 |
|
O2 .755 .120 .670 |
|
O3 .812 .394 .203 |
|
O4 .274 .068 .159 |
|
OH5 .290 .058 .630 |
|
Wat6 .734 .75 .298 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Lawsonite |
|
Pawley A R, Allan D R |
| |
Mineralogical Magazine 65 (2001) 41-58 |
|
A high-pressure study of lawsonite using angle-dispersive |
|
powder-diffraction methods with synchrotron radiation |
|
Note: Run #BN97, P = 16.5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0018956 |
|
5.178 12.787 5.634 90 124.67 90 P2_1/m |
|
atom x y z |
|
Ca .277 .75 .649 |
|
Al1 .5 0 0 |
|
Al2 .5 0 .5 |
|
Si .937 .1320 .944 |
|
O1 .842 .75 .905 |
|
O2 .767 .115 .685 |
|
O3 .894 .392 .255 |
|
O4 .279 .075 .169 |
|
OH5 .258 .056 .625 |
|
Wat6 .702 .75 .258 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 