|
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)
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View JMOL 3-D Structure
|
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
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