|
Beryl |
 |
Artioli G, Rinaldi R, Stahl K, Zanazzi P F |
 |
American Mineralogist 78 (1993) 762-768 |
|
Structure refinements of beryl by single-crystal neutron and X-ray diffraction |
|
Sample no. 1, morganite, probed with neutrons, T = 30 K |
|
_database_code_amcsd 0001602 |
|
9.197 9.197 9.202 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
Si .3895 .1182 0 0.34 |
|
Be .5 0 .25 .888 0.33 |
|
Li .5 0 .25 .105 0.33 |
|
Al 2/3 1/3 .25 0.26 |
|
O1 .3065 .2357 0 0.65 |
|
O2 .4988 .1468 .1449 0.62 |
|
OW 0 0 .25 .72 2.0 |
|
Cs 0 0 .25 .083 2.0 |
|
Na 0 0 0 .24 1.5 |
|
H .092 .062 .316 .123 5.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Artioli G, Rinaldi R, Stahl K, Zanazzi P F |
|
American Mineralogist 78 (1993) 762-768 |
|
Structure refinements of beryl by single-crystal neutron and X-ray diffraction |
|
Sample no. 1, morganite, probed with neutrons, T = 295 K |
|
_database_code_amcsd 0001603 |
|
9.208 9.208 9.197 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
Si .3889 .1182 0 0.29 |
|
Be .5 0 .25 .894 0.46 |
|
Li .5 0 .25 .106 0.46 |
|
Al 2/3 1/3 .25 0.33 |
|
O1 .3062 .2351 0 0.85 |
|
O2 .49842 .14681 .14499 0.71 |
|
OW 0 0 .25 .61 3.6 |
|
Cs 0 0 .25 .083 3.6 |
|
Na 0 0 0 .24 2.1 |
|
H .072 .090 .318 .105 4.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Artioli G, Rinaldi R, Stahl K, Zanazzi P F |
|
American Mineralogist 78 (1993) 762-768 |
|
Structure refinements of beryl by single-crystal neutron and X-ray diffraction |
|
Sample no. 1, morganite, probed with X-rays, T = 295 K |
|
_database_code_amcsd 0001604 |
|
9.208 9.208 9.197 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
Si .3880 .1165 0 0.32 |
|
Be .5 0 .25 .894 0.60 |
|
Li .5 0 .25 .106 0.60 |
|
Al 2/3 1/3 .25 0.35 |
|
O1 .3092 .2364 0 0.87 |
|
O2 .4988 .1459 .1454 0.62 |
|
Wat 0 0 0 .16 4.9 |
|
Cs 0 0 .25 .096 7.8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Artioli G, Rinaldi R, Stahl K, Zanazzi P F |
|
American Mineralogist 78 (1993) 762-768 |
|
Structure refinements of beryl by single-crystal neutron and X-ray diffraction |
|
Sample no. 2, aquamarine, probed with neutrons, T = 295 K |
|
_database_code_amcsd 0001605 |
|
9.218 9.218 9.197 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
Si .3872 .1157 0 0.23 |
|
Be .5 0 .25 0.45 |
|
Al 2/3 1/3 .25 .985 0.27 |
|
Fe 2/3 1/3 .25 .015 0.27 |
|
O1 .3098 .2363 0 0.69 |
|
O2 .49866 .14541 .14517 0.46 |
|
Na 0 0 .25 .016 5.0 |
|
OW 0 0 .25 .24 5.0 |
|
H 0 0 .165 .13 4.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Artioli G, Rinaldi R, Stahl K, Zanazzi P F |
|
American Mineralogist 78 (1993) 762-768 |
|
Structure refinements of beryl by single-crystal neutron and X-ray diffraction |
|
Sample no. 2, aquamarine, probed with X-rays, T = 295 K |
|
_database_code_amcsd 0001606 |
|
9.218 9.218 9.197 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
Si .38735 .11563 0 0.24 |
|
Be .5 0 .25 0.45 |
|
Al 2/3 1/3 .25 .985 0.21 |
|
Fe 2/3 1/3 .25 .015 0.21 |
|
O1 .3099 .2365 0 0.80 |
|
O2 .4986 .1454 .1452 0.47 |
|
Wat 0 0 .25 .48 8.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Artioli G, Rinaldi R, Wilson C C, Zanazzi P F |
|
American Mineralogist 80 (1995) 197-200 |
|
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal |
|
neutron diffraction study |
|
T = room temperature |
|
Atomic parameters obtained from the ICSD |
|
_database_code_amcsd 0001718 |
|
4.740 10.230 5.960 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .879 .0053 .0049 .0058 -.0012 -.0004 -.0005 |
|
Fe1 0 0 0 .121 .0053 .0049 .0058 -.0012 -.0004 -.0005 |
|
Mg2 .9897 .2788 .25 .881 .0073 .0049 .0060 .0006 0 0 |
|
Fe2 .9897 .2788 .25 .119 .0073 .0049 .0060 .0006 0 0 |
|
Si .4275 .0937 .25 .0039 .0017 .0039 .0011 0 0 |
|
O1 .7666 .0909 .25 .0050 .0072 .0060 .0007 0 0 |
|
O2 .2207 .4487 .25 .0069 .0018 .0071 .0002 0 0 |
|
O3 .2788 .1637 .0337 .0068 .0058 .0062 .0002 .0002 .0010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Artioli G, Rinaldi R, Wilson C C, Zanazzi P F |
|
American Mineralogist 80 (1995) 197-200 |
|
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal |
|
neutron diffraction study |
|
T = 880 C |
|
Atomic parameters obtained from the ICSD |
|
_database_code_amcsd 0001719 |
|
4.76 10.33 6.05 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .868 .0303 .0229 .0197 .0022 -.0050 -.0023 |
|
Fe1 0 0 0 .132 .0303 .0229 .0197 .0022 -.0050 -.0023 |
|
Mg2 .9922 .2782 .25 .892 .0251 .0141 .0252 .0029 0 0 |
|
Fe2 .9922 .2782 .25 .108 .0251 .0141 .0252 .0029 0 0 |
|
Si .4266 .0944 .25 .0058 .0081 .0194 .0037 0 0 |
|
O1 .7671 .0913 .25 .0139 .0201 .0196 .0071 0 0 |
|
O2 .2203 .4504 .25 .0117 .0090 .0292 -.0024 0 0 |
|
O3 .2813 .1630 .0356 .0203 .0170 .0196 -.0019 -.0035 .0089 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Artioli G, Rinaldi R, Wilson C C, Zanazzi P F |
|
American Mineralogist 80 (1995) 197-200 |
|
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal |
|
neutron diffraction study |
|
T = 960 C |
|
Atomic parameters obtained from the ICSD |
|
_database_code_amcsd 0001720 |
|
4.769 10.33 6.037 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .902 .0197 .0326 .0190 -.0039 -.0029 -.0048 |
|
Fe1 0 0 0 .098 .0197 .0326 .0190 -.0039 -.0029 -.0048 |
|
Mg2 .9923 .2799 .25 .858 .0253 .0207 .0259 .0028 0 0 |
|
Fe2 .9923 .2799 .25 .142 .0253 .0207 .0259 .0028 0 0 |
|
Si .4270 .0938 .25 .0084 .0191 .0140 .0022 0 0 |
|
O1 .7650 .0912 .25 .0133 .0275 .0212 .0014 0 0 |
|
O2 .2205 .4502 .25 .0214 .0125 .0233 -.0001 0 0 |
|
O3 .2825 .1634 .0355 .0200 .0228 .0208 .0003 -.0009 .0066 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Artioli G, Rinaldi R, Wilson C C, Zanazzi P F |
|
American Mineralogist 80 (1995) 197-200 |
|
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal |
|
neutron diffraction study |
|
T = 1030 C |
|
Atomic parameters obtained from the ICSD |
|
_database_code_amcsd 0001721 |
|
4.772 10.35 6.053 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .907 .0255 .0282 .0199 -.0055 -.0039 -.0058 |
|
Fe1 0 0 0 .093 .0255 .0282 .0199 -.0055 -.0039 -.0058 |
|
Mg2 .9915 .2804 .25 .853 .0299 .0175 .0268 .0013 0 0 |
|
Fe2 .9915 .2804 .25 .147 .0299 .0175 .0268 .0013 0 0 |
|
Si .4276 .0941 .25 .0108 .0181 .0165 .0025 0 0 |
|
O1 .7641 .0909 .25 .0150 .0191 .0236 .0014 0 0 |
|
O2 .2217 .4515 .25 .0243 .0108 .0262 .0010 0 0 |
|
O3 .2820 .1635 .0359 .0255 .0165 .0223 .0005 -.0013 .0078 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Artioli G, Rinaldi R, Wilson C C, Zanazzi P F |
|
American Mineralogist 80 (1995) 197-200 |
|
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal |
|
neutron diffraction study |
|
T = 1060 C |
|
Atomic parameters obtained from the ICSD |
|
_database_code_amcsd 0001722 |
|
4.770 10.380 6.070 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .914 .0256 .0384 .0300 .0064 -.0018 -.0039 |
|
Fe1 0 0 0 .086 .0256 .0384 .0300 .0064 -.0018 -.0039 |
|
Mg2 .9939 .2785 .25 .846 .0383 .0204 .0394 -.0039 0 0 |
|
Fe2 .9939 .2785 .25 .154 .0383 .0204 .0394 -.0039 0 0 |
|
Si .4269 .0951 .25 .0095 .0173 .0147 .0008 0 0 |
|
O1 .7640 .0926 .25 .0204 .0265 .0310 .0022 0 0 |
|
O2 .2206 .4513 .25 .0291 .0068 .0361 -.0024 0 0 |
|
O3 .2806 .1624 .0361 .0184 .0294 .0382 .0006 -.0009 .0093 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na(NaMg)Mg5Si8O22(OH)2 |
| |
Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
| |
American Mineralogist 90 (2004) 695-700 |
|
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
|
amphibole Na(NaMg)Mg5Si8O22(OH)2 |
|
Sample: T = 298 K |
|
_database_code_amcsd 0003767 |
|
9.71887 17.93853 5.26923 90 102.526 90 P2_1/m |
|
atom x y z occ Uiso |
|
NaA .26338 .25 .07195 .83 .0389 |
|
MgA .26338 .25 .07195 .07 .0389 |
|
Mg1 -.24026 .33930 .49828 .0111 |
|
Mg2 -.25348 .43071 .98116 .0111 |
|
Mg3 -.25237 .25 .97893 .0111 |
|
Mg4 -.25268 .50848 .48420 .37 .0111 |
|
Na4 -.25268 .50848 .48420 .31 .0111 |
|
Mg4’ -.26475 .52501 .49913 .16 .0111 |
|
Na4’ -.26475 .52501 .49913 .13 .0111 |
|
Si1A .03422 .33480 .25975 .00243 |
|
Si1B .53040 .83483 .29506 .00243 |
|
Si2A .03285 .42143 .77063 .00243 |
|
Si2B .54682 .91992 .80318 .00243 |
|
O1A -.13689 .33642 .19974 .00545 |
|
O1B .36433 .83681 .21721 .00545 |
|
O2A -.13270 .42159 .70449 .00545 |
|
O2B .37237 .92224 .74352 .00545 |
|
O3A -.14897 .25 .69317 .00545 |
|
O3B .35927 .75 .72024 .00545 |
|
O4A .11586 .50067 .79981 .00545 |
|
O4B .63000 .99316 .76836 .00545 |
|
O5A .09732 .36704 .02195 .00545 |
|
O5B .59913 .88482 .09577 .00545 |
|
O6A .09833 .37993 .53135 .00545 |
|
O6B .59665 .85784 .60458 .00545 |
|
O7A .08949 .25 .30087 .00545 |
|
O7B .58745 .75 .26427 .00545 |
|
H1 -.04703 .25 .75663 .71 .0389 |
|
D1 -.04703 .25 .75663 .29 .0389 |
|
H2 .53670 .25 .21170 .66 .0389 |
|
D2 .53670 .25 .21170 .34 .0389 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na(NaMg)Mg5Si8O22(OH)2 |
| |
Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
| |
American Mineralogist 90 (2004) 695-700 |
|
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
|
amphibole Na(NaMg)Mg5Si8O22(OH)2 |
|
Sample: T = 8 K |
|
_database_code_amcsd 0003768 |
|
9.70169 17.89537 5.25744 90 102.597 90 P2_1/m |
|
atom x y z occ Uiso |
|
NaA .26461 .25 .06038 .83 .00688 |
|
MgA .26461 .25 .06038 .07 .00688 |
|
Mg1 -.24280 .33860 .48952 .00688 |
|
Mg2 -.25451 .43158 .97520 .00688 |
|
Mg3 -.25442 .25 .95277 .00688 |
|
Mg4 -.24565 .50741 .48160 .37 .00688 |
|
Na4 -.24565 .50741 .48160 .31 .00688 |
|
Mg4’ -.27291 .52696 .50151 .16 .00688 |
|
Na4’ -.27291 .52696 .50151 .13 .00688 |
|
Si1A .03609 .33535 .25812 .00328 |
|
Si1B .53071 .83565 .30186 .00328 |
|
Si2A .03892 .42099 .76004 .00328 |
|
Si2B .54552 .91791 .80965 .00328 |
|
O1A -.13735 .33691 .19646 .00357 |
|
O1B .36675 .83608 .22068 .00357 |
|
O2A -.13335 .42242 .70321 .00357 |
|
O2B .37525 .91974 .74919 .00357 |
|
O3A -.15111 .25 .70244 .00357 |
|
O3B .35997 .75 .71712 .00357 |
|
O4A .11908 .49933 .80839 .00357 |
|
O4B .63160 .99345 .77154 .00357 |
|
O5A .09694 .36393 .01295 .00357 |
|
O5B .60373 .88605 .10438 .00357 |
|
O6A .09837 .38166 .52814 .00357 |
|
O6B .59421 .85628 .61049 .00357 |
|
O7A .08616 .25 .30292 .00357 |
|
O7B .58935 .75 .26556 .00357 |
|
H1 -.04591 .25 .75809 .71 .00688 |
|
D1 -.04591 .25 .75809 .29 .00688 |
|
H2 .53612 .25 .21111 .66 .00688 |
|
D2 .53612 .25 .21111 .34 .00688 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phillipsite |
| |
Gatta G D, Cappelletti P, Rotiroti N, Slebodnick C, Rinaldi R |
| |
American Mineralogist 94 (2009) 190-199 |
|
New insights into the crystal structure and crystal chemistry of the zeolite |
|
phillipsite |
|
Locality: "Newer Volcanic Suite," Richmond, Melbourne, Victoria, Australia |
|
Note: T = 298 K |
|
Note: Chemistry and structural occupancy are not consistent |
|
_database_code_amcsd 0004834 |
|
9.9238 14.3145 8.7416 90 124.920 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .8674 .25 .226 .58 .0543 .078 .023 .065 0 .042 0 |
|
K2 .8451 .25 .187 .30 .059 .057 .035 .112 0 .064 0 |
|
Na .6682 .37452 .5593 .36 .0324 .0334 .0416 .0267 -.0131 .0199 -.0075 |
|
Ca .6682 .37452 .5593 .16 .0324 .0334 .0416 .0267 -.0131 .0199 -.0075 |
|
Al1 .72527 .00683 .28477 .375 .01380 .0123 .0156 .0122 .0007 .0063 -.0008 |
|
Al2 .42172 .13923 .04494 .375 .01350 .0122 .0122 .0145 .0010 .0067 -.0003 |
|
Al3 .04307 .02522 .28043 .375 .01287 .0142 .0139 .0112 -.0017 .0077 -.0009 |
|
Al4 .08288 .14052 .00296 .375 .01359 .0166 .0112 .0156 -.0009 .0108 -.0005 |
|
Si1 .72527 .00683 .28477 .625 .01380 .0123 .0156 .0122 .0007 .0063 -.0008 |
|
Si2 .42172 .13923 .04494 .625 .01350 .0122 .0122 .0145 .0010 .0067 -.0003 |
|
Si3 .04307 .02522 .28043 .625 .01287 .0142 .0139 .0112 -.0017 .0077 -.0009 |
|
Si4 .08288 .14052 .00296 .625 .01359 .0166 .0112 .0156 -.0009 .0108 -.0005 |
|
O1 .0615 .11290 .1724 .0250 .0347 .0237 .0235 -.0004 .0207 .0036 |
|
O2 .6291 .58688 .1499 .0261 .0326 .0239 .0221 .0050 .0158 .0056 |
|
O3 .5947 .09597 .2286 .0276 .0204 .0280 .0241 .0072 .0067 -.0010 |
|
O4 .0399 .92452 .1868 .0267 .0306 .0196 .0251 -.0006 .0130 -.0060 |
|
O5 .8771 .04490 .2722 .0262 .0247 .0282 .0331 -.0015 .0207 -.0008 |
|
O6 .2793 .37402 .0853 .0299 .0237 .0350 .0358 -.0020 .0197 -.0015 |
|
O7 .7927 .52202 .5036 .0249 .0211 .0333 .0152 .0012 .0074 -.0020 |
|
O8 .5455 .75 -.0257 .0275 .0360 .0148 .0336 0 .0211 0 |
|
O9 .0224 .25 -.0610 .0276 .0343 .0160 .0269 0 .0143 0 |
|
Wat1 1.2177 .25 .5627 .91 .081 .130 .042 .047 0 .036 0 |
|
Wat2 .2129 .75 .4774 .95 .088 .060 .127 .039 0 .007 0 |
|
Wat3 .3513 .6450 .1717 .87 .110 .070 .180 .095 .005 .055 -.006 |
|
Wat4 .582 .786 .568 .29 .066 .032 .093 .047 .003 .008 -.008 |
|
Wat4 .545 .735 .551 .14 .051 |
|
Wat5 .5209 .9854 .5421 .432 .084 .076 .116 .096 .009 .071 .042 |
|
Wat6 .5984 .8864 .5662 .30 .133 .075 .189 .058 -.070 -.008 .064 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phillipsite |
| |
Gatta G D, Cappelletti P, Rotiroti N, Slebodnick C, Rinaldi R |
| |
American Mineralogist 94 (2009) 190-199 |
|
New insights into the crystal structure and crystal chemistry of the zeolite |
|
phillipsite |
|
Locality: "Newer Volcanic Suite," Richmond, Melbourne, Victoria, Australia |
|
Note: T = 100 K |
|
Note: Chemistry and structural occupancy are not consistent |
|
_database_code_amcsd 0004835 |
|
9.8511 14.2476 8.6422 90 124.319 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .85967 .25 .2279 .796 .0299 .0300 .0147 .0432 0 .0196 0 |
|
K2 .822 .25 .138 .075 .028 .023 .026 .047 0 .027 0 |
|
Na1 .39299 .37620 .5585 .35 .0235 .0152 .0318 .0192 .0023 .0071 -.0068 |
|
Ca1 .39299 .37620 .5585 .15 .0235 .0152 .0318 .0192 .0023 .0071 -.0068 |
|
Na2 .4560 .3150 .656 .045 .058 |
|
Ca2 .4560 .3150 .656 .025 .058 |
|
Al1 .73740 .02709 .28032 .375 .00971 .00852 .00999 .00851 .00073 .00352 -.00092 |
|
Al2 .42066 .14079 -.00085 .375 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032 |
|
Al3 .06192 .00519 .28590 .375 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032 |
|
Al4 .12529 .13921 .04726 .375 .01030 .01173 .00958 .01115 -.00097 .00739 .00008 |
|
Si1 .73740 .02709 .28032 .625 .00971 .00852 .00999 .00851 .00073 .00352 -.00092 |
|
Si2 .42066 .14079 -.00085 .625 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032 |
|
Si3 .06192 .00519 .28590 .625 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032 |
|
Si4 .12529 .13921 .04726 .625 .01030 .01173 .00958 .01115 -.00097 .00739 .00008 |
|
O1 .13911 .09415 .23177 .02237 .0293 .0225 .0188 -.0077 .0157 -.0012 |
|
O2 .64477 .57363 .18824 .02025 .0232 .0147 .0203 .0033 .0108 .0037 |
|
O3 .61319 .11578 .16950 .01856 .0138 .0167 .0179 .0026 .0045 .0020 |
|
O4 .02204 .91187 .14892 .02034 .0198 .0193 .0166 -.0004 .0070 -.0028 |
|
O5 .89803 .04451 .27452 .01971 .0160 .0207 .0232 .0011 .0115 -.0010 |
|
O6 .30724 .37356 .08322 .0239 .0196 .0280 .0293 .0001 .0169 -.0007 |
|
O7 .78704 .47439 .49591 .01927 .0189 .0253 .0121 -.0031 .0079 -.0016 |
|
O8 .58790 .75 .0709 .0219 .0282 .0152 .0186 0 .0110 0 |
|
O9 .07278 .25 .0317 .0212 .0222 .0127 .0251 0 .0110 0 |
|
Wat1 1.2322 .25 .5194 .895 .0537 .0521 .089 .0222 0 .0222 0 |
|
Wat2 .1594 .75 .4340 .873 .0347 .0419 .0204 .0276 0 .0110 0 |
|
Wat3 .3190 .8485 .1715 .748 .0717 .0485 .101 .083 .0033 .0476 .0116 |
|
Wat4 .4937 .7787 .5669 .393 .0499 .0303 .088 .0295 -.0094 .0154 .0040 |
|
Wat5 .5196 .9840 .5356 .441 .074 .031 .092 .100 .0298 .037 .035 |
|
Wat6 .4852 .8954 .5800 .277 .073 .084 .111 .029 .076 .035 .031 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
_database_code_amcsd 0017699 |
|
4.8354 7.6082 9.6335 90 90.158 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00832 .60617 .16388 .0064 .0068 .0071 .0055 .0005 .0004 .0000 |
|
B .56839 .08950 -.15909 .0051 .0053 .0059 .0042 .0002 .0007 .0003 |
|
Si .46883 .26615 .08438 .0043 .0052 .0042 .0034 .0003 .0000 -.0002 |
|
O1 .24051 .40104 .03745 .0074 .0083 .0071 .0068 .0024 -.0008 -.0001 |
|
O2 .66987 .19903 -.04273 .0063 .0071 .0070 .0049 -.0010 .0009 -.0019 |
|
O3 .67508 .33472 .21044 .0062 .0064 .0084 .0039 .0003 .0003 -.0016 |
|
O4 .31509 .08787 .14600 .0070 .0080 .0043 .0086 .0003 .0024 .0008 |
|
O5 .25854 .08652 -.16342 .0074 .0055 .0103 .0063 -.0007 .0004 .0009 |
|
H .207 .0523 -.0879 .029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Boccassuolo, Modena, Italy |
|
_database_code_amcsd 0017700 |
|
4.8332 7.6082 9.6342 90 90.147 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00835 .60619 .16389 .0067 .0073 .0079 .0049 .0005 -.0002 .0001 |
|
B .5685 .08941 -.15925 .0056 .0067 .0065 .0035 .0006 -.0003 .0003 |
|
Si .46894 .26609 .08439 .0045 .0057 .0050 .0027 .0006 -.0007 -.0003 |
|
O1 .24029 .40110 .03750 .0079 .0083 .0087 .0066 .0029 -.0020 -.0004 |
|
O2 .67035 .19913 -.04276 .0067 .0075 .0086 .0040 -.0012 .0007 -.0019 |
|
O3 .67535 .33466 .21047 .0066 .0073 .0096 .0029 .0000 -.0007 -.0017 |
|
O4 .31490 .08794 .14605 .0072 .0082 .0055 .0080 .0004 .0016 .0008 |
|
O5 .25877 .08655 -.16350 .0077 .0063 .0106 .0062 -.0011 -.0003 .0008 |
|
H .216 .037 -.096 .028 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Campotrera, Reggio Emilia, Italy |
|
_database_code_amcsd 0017701 |
|
4.8355 7.6102 9.6317 90 90.150 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00835 .60622 .16387 .0063 .0058 .0073 .0058 .0005 .0002 .0000 |
|
B .5682 .08946 -.15914 .0051 .0048 .0058 .0048 -.0002 .0001 -.0002 |
|
Si .46903 .26609 .08442 .0042 .0043 .0046 .0039 .0003 -.0002 -.0002 |
|
O1 .24040 .40095 .03741 .0077 .0077 .0076 .0077 .0025 -.0014 -.0002 |
|
O2 .66992 .19887 -.04268 .0062 .0059 .0077 .0051 -.0012 .0011 -.0023 |
|
O3 .67513 .33452 .21048 .0061 .0055 .0085 .0043 .0000 -.0003 -.0018 |
|
O4 .31507 .08816 .14600 .0070 .0070 .0046 .0094 .0005 .0025 .0007 |
|
O5 .25878 .08650 -.16356 .0073 .0045 .0107 .0066 -.0006 .0003 .0011 |
|
H .199 .048 -.088 .022 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Sasso Puzzino, Modena, Italy |
|
_database_code_amcsd 0017702 |
|
4.8336 7.6076 9.6298 90 90.165 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00828 .60620 .16386 .0062 .0058 .0066 .0062 .0005 .0000 -.0001 |
|
B .5686 .0894 -.15918 .0053 .0047 .0056 .0057 .0002 -.0004 .0002 |
|
Si .46889 .26612 .08436 .0041 .0040 .0040 .0042 .0005 -.0004 -.0004 |
|
O1 .2400 .40078 .03753 .0071 .0069 .0070 .0075 .0031 -.0013 .0001 |
|
O2 .6697 .19901 -.04245 .0060 .0056 .0071 .0054 -.0010 .0004 -.0022 |
|
O3 .6754 .33464 .21044 .0060 .0054 .0079 .0047 .0002 -.0005 -.0022 |
|
O4 .3153 .08795 .14589 .0071 .0069 .0039 .0104 -.0002 .0021 .0010 |
|
O5 .2586 .08613 -.16341 .0073 .0047 .0097 .0074 -.0010 .0002 .0006 |
|
H .205 .051 -.094 .037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Cinghi, Boccassuolo-Modena, Italy |
|
_database_code_amcsd 0017703 |
|
4.8361 7.6155 9.6392 90 90.134 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00838 .60613 .16386 .0070 .0073 .0071 .0066 .0004 .0004 .0000 |
|
B .5685 .08943 -.15906 .0059 .0067 .0061 .0049 .0000 .0004 .0004 |
|
Si .46897 .26613 .08442 .0048 .0057 .0044 .0045 .0003 .0000 -.0002 |
|
O1 .24048 .40086 .03762 .0081 .0090 .0075 .0079 .0025 -.0011 -.0003 |
|
O2 .67002 .19910 -.04259 .0070 .0074 .0077 .0058 -.0013 .0012 -.0021 |
|
O3 .67496 .33448 .21036 .0069 .0073 .0084 .0051 .0001 -.0004 -.0015 |
|
O4 .31472 .08787 .14591 .0077 .0083 .0049 .0100 .0001 .0024 .0010 |
|
O5 .25896 .08649 -.16333 .0079 .0061 .0102 .0075 -.0006 .0008 .0009 |
|
H .214 .048 -.094 .032 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Arendal, Norway |
|
_database_code_amcsd 0017704 |
|
4.8356 7.6114 9.6341 90 90.158 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00832 .60617 .16393 .0064 .0064 .0073 .0056 .0005 .0003 .0000 |
|
B .56794 .08929 -.15911 .0051 .0055 .0056 .0042 -.0002 .0003 .0004 |
|
Si .46891 .26615 .08439 .0044 .0050 .0047 .0034 .0004 -.0002 -.0003 |
|
O1 .24076 .40091 .03742 .0078 .0084 .0080 .0069 .0026 -.0010 -.0003 |
|
O2 .67004 .19900 -.04251 .0063 .0066 .0073 .0050 -.0015 .0007 -.0019 |
|
O3 .67495 .33449 .21045 .0062 .0062 .0083 .0039 -.0001 -.0001 -.0017 |
|
O4 .31495 .08789 .14598 .0071 .0075 .0053 .0084 .0004 .0023 .0007 |
|
O5 .25883 .08650 -.16350 .0074 .0054 .0104 .0065 -.0007 .0002 .0008 |
|
H .213 .047 -.0930 .030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 280 K |
|
_database_code_amcsd 0017705 |
|
4.8355 7.6085 9.6326 90 90.159 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00833 .60616 .16388 .0062 .0065 .0068 .0053 .0004 .0006 .0000 |
|
B .56856 .08933 -.15914 .0052 .0059 .0056 .0040 .0002 .0001 .0003 |
|
Si .46899 .26620 .08436 .0041 .0049 .0043 .0031 .0003 .0002 -.0002 |
|
O1 .24063 .40112 .03738 .0072 .0076 .0073 .0068 .0022 -.0010 -.0003 |
|
O2 .66991 .19903 -.04253 .0061 .0066 .0071 .0045 -.0008 .0010 -.0018 |
|
O3 .67520 .33451 .21047 .0061 .0061 .0083 .0038 .0004 .0004 -.0015 |
|
O4 .31489 .08791 .14591 .0067 .0074 .0046 .0082 .0004 .0024 .0009 |
|
O5 .25889 .08651 -.16344 .0071 .0054 .0099 .0061 -.0008 .0006 .0011 |
|
H .206 .048 -.092 .030 .012 .032 .046 .006 -.005 -.003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 250 K |
|
_database_code_amcsd 0017706 |
|
4.8330 7.6074 9.6310 90 90.175 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00835 .60620 .16389 .0056 .0060 .0061 .0047 .0004 .0005 .0001 |
|
B .56831 .08931 -.15912 .0047 .0053 .0053 .0036 .0004 .0004 .0001 |
|
Si .46911 .26634 .08435 .0038 .0047 .0038 .0029 .0003 .0002 -.0001 |
|
O1 .24073 .40130 .03729 .0065 .0070 .0066 .0060 .0019 -.0006 -.0003 |
|
O2 .67008 .19905 -.04246 .0058 .0064 .0066 .0043 -.0010 .0007 -.0017 |
|
O3 .67541 .33463 .21049 .0056 .0059 .0076 .0032 .0003 .0007 -.0013 |
|
O4 .31504 .08798 .14594 .0062 .0071 .0045 .0070 .0002 .0025 .0008 |
|
O5 .25889 .08654 -.16348 .0065 .0048 .0091 .0055 -.0010 .0006 .0010 |
|
H .207 .050 -.092 .035 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 220 K |
|
_database_code_amcsd 0017707 |
|
4.8325 7.6041 9.6300 90 90.184 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00828 .60625 .16393 .0050 .0052 .0055 .0043 .0004 .0006 .0000 |
|
B .56882 .08946 -.15909 .0044 .0049 .0050 .0034 .0001 .0006 .0003 |
|
Si .46932 .26637 .08433 .0035 .0042 .0036 .0025 .0003 .0003 -.0002 |
|
O1 .24116 .40145 .03713 .0060 .0063 .0063 .0055 .0017 -.0003 -.0002 |
|
O2 .67052 .19898 -.04243 .0053 .0057 .0062 .0039 -.0008 .0008 -.0010 |
|
O3 .67577 .33471 .21049 .0050 .0051 .0068 .0031 .0004 .0004 -.0011 |
|
O4 .31490 .08820 .14588 .0057 .0061 .0041 .0069 .0002 .0022 .0008 |
|
O5 .25916 .08658 -.16354 .0059 .0046 .0083 .0049 -.0007 .0005 .0012 |
|
H .207 .0492 -.0973 .025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 190 K |
|
_database_code_amcsd 0017708 |
|
4.8308 7.6011 9.6290 90 90.176 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00821 .60626 .16395 .0045 .0047 .0049 .0039 .0003 .0003 .0001 |
|
B .56919 .08924 -.15927 .0041 .0044 .0042 .0037 .0001 .0001 -.0001 |
|
Si .46940 .26645 .08429 .0031 .0038 .0032 .0023 .0002 .0001 -.0002 |
|
O1 .24095 .40161 .03728 .0054 .0059 .0053 .0049 .0016 -.0004 -.0003 |
|
O2 .67107 .19886 -.04244 .0048 .0053 .0055 .0035 -.0005 .0006 -.0015 |
|
O3 .67594 .33462 .21057 .0046 .0051 .0060 .0028 .0000 .0001 -.0011 |
|
O4 .31449 .08821 .14588 .0051 .0058 .0037 .0059 .0001 .0018 .0006 |
|
O5 .25875 .08665 -.16356 .0055 .0041 .0076 .0047 -.0006 .0003 .0009 |
|
H .203 .0537 -.0901 .024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 160 K |
|
_database_code_amcsd 0017709 |
|
4.8303 7.6011 9.6292 90 90.180 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00823 .60628 .16398 .0041 .0043 .0044 .0036 .0002 .0004 .0000 |
|
B .56915 .08918 -.15908 .0039 .0041 .0041 .0035 -.0002 .0003 .0002 |
|
Si .46953 .26652 .08426 .0030 .0035 .0032 .0024 .0002 .0002 -.0001 |
|
O1 .24119 .40174 .03721 .0050 .0053 .0052 .0046 .0012 .0000 -.0004 |
|
O2 .67100 .19902 -.04245 .0045 .0048 .0051 .0036 -.0005 .0004 -.0011 |
|
O3 .67631 .33466 .21064 .0044 .0046 .0056 .0029 .0001 .0002 -.0011 |
|
O4 .31466 .08819 .14591 .0047 .0052 .0031 .0059 .0001 .0016 .0006 |
|
O5 .25889 .08670 -.16354 .0050 .0036 .0069 .0044 -.0006 .0001 .0009 |
|
H .212 .0522 -.0868 .032 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 130 K |
|
_database_code_amcsd 0017710 |
|
4.8298 7.6002 9.6321 90 90.183 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00821 .60628 .16398 .0035 .0037 .0039 .0030 .0002 .0003 .0001 |
|
B .56930 .08934 -.15908 .0035 .0036 .0041 .0029 -.0001 .0002 .0000 |
|
Si .46966 .26660 .08426 .0026 .0030 .0027 .0021 .0001 .0002 -.0001 |
|
O1 .24102 .40192 .03711 .0043 .0045 .0042 .0043 .0011 -.0004 -.0002 |
|
O2 .67129 .19890 -.04238 .0040 .0043 .0045 .0032 -.0002 .0005 -.0009 |
|
O3 .67642 .33458 .21062 .0038 .0042 .0048 .0025 .0001 .0003 -.0009 |
|
O4 .31455 .08837 .14577 .0042 .0046 .0031 .0048 .0001 .0013 .0004 |
|
O5 .25886 .08678 -.16344 .0046 .0033 .0063 .0041 -.0005 .0007 .0009 |
|
H .203 .0514 -.0883 .025 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
| |
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
|
Note: T = 100 K |
|
_database_code_amcsd 0017711 |
|
4.8284 7.5995 9.6310 90 90.180 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .00814 .60632 .16403 .0031 .0033 .0035 .0026 .0002 .0002 .0000 |
|
B .56934 .08914 -.15888 .0033 .0036 .0033 .0030 -.0001 -.0001 .0001 |
|
Si .46979 .26666 .08422 .0024 .0028 .0025 .0018 .0002 .0002 -.0001 |
|
O1 .24114 .40207 .03707 .0041 .0041 .0044 .0039 .0008 -.0004 -.0001 |
|
O2 .67150 .19890 -.04237 .0037 .0041 .0041 .0028 -.0004 .0006 -.0009 |
|
O3 .67669 .33469 .21060 .0035 .0037 .0047 .0022 .0001 .0004 -.0008 |
|
O4 .31451 .08842 .14588 .0039 .0042 .0029 .0045 .0002 .0010 .0004 |
|
O5 .25872 .08669 -.16351 .0042 .0032 .0057 .0036 -.0006 .0004 .0008 |
|
H .208 .0511 -.0874 .029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stratlingite |
|
Rinaldi R, Sacerdoti M, Passaglia E |
| |
European Journal of Mineralogy 2 (1990) 841-849 |
|
Stratlingite: crystal structure, chemistry, and a reexamination |
|
of its polytype vertumnite |
|
_database_code_amcsd 0006404 |
|
5.745 5.745 37.77 90 90 120 R-3m |
|
atom x y z occ Uiso |
|
Al 0 0 0 .014 |
|
Ca 1/3 2/3 .0142 .016 |
|
Al1 0 0 .1237 .27 .032 |
|
Si1 0 0 .1237 .27 .032 |
|
Al2 2/3 1/3 .1227 .285 .033 |
|
Si2 2/3 1/3 .1227 .285 .033 |
|
O1 2/3 1/3 .1662 .086 |
|
OH1 .830 .170 .1067 .112 |
|
OH2 .749 .054 .0268 .5 .012 |
|
Wat1 1/3 2/3 .1667 .25 .098 |
|
Wat2 1/3 2/3 .0812 .035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stellerite |
|
Alberti A, Rinaldi R, Vezzalini G |
| |
Physics and Chemistry of Minerals 2 (1978) 365-375 |
|
Dynamics of dehydration in stilbite-type structures; stellerite phase B |
|
Sample: Stellerite phase B |
|
_database_code_amcsd 0007338 |
|
13.62 17.16 16.68 90 90 90 Amma |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SiT1 .1344 .3541 .1373 .779 .0015 .0050 .0035 -.0009 .0001 -.0004 |
|
AlT1 .1344 .3541 .1373 .221 .0015 .0050 .0035 -.0009 .0001 -.0004 |
|
SiT1P .1390 .2690 .3833 .7011 .0011 .0020 .0024 .0001 -.0002 -.0001 |
|
AlT1P .1390 .2690 .3833 .1989 .0011 .0020 .0024 .0001 -.0002 -.0001 |
|
SiT3 .0513 .4109 .3045 .779 .0020 .0023 .0039 -.0006 -.0002 .0002 |
|
AlT3 .0513 .4109 .3045 .221 .0020 .0023 .0039 -.0006 -.0002 .0002 |
|
SiT4 .1394 .1861 .2188 .7011 .0011 .0021 .0024 -.0002 .0001 -.0008 |
|
AlT4 .1394 .1861 .2188 .1989 .0011 .0021 .0024 -.0002 .0001 -.0008 |
|
SiT5 0 .3222 0 .779 .0018 .0023 .0031 0 .0004 0 |
|
AlT5 0 .3222 0 .221 .0018 .0023 .0031 0 .0004 0 |
|
SiT1PD .141 .302 .434 .0779 .0007 |
|
AlT1PD .141 .302 .434 .0221 .0007 |
|
SiT4D .149 .168 .174 .0779 .0002 |
|
AlT4D .149 .168 .174 .0221 .0002 |
|
O1 .0637 .3769 .0649 .0058 .0045 .0035 0 -.0033 -.0006 |
|
O1P .0741 .2343 .4579 .0082 .0073 .0031 -.0028 .0012 .0012 |
|
O3 .1284 .2569 .1525 .0054 .0037 .0041 .0009 .0005 .0005 |
|
O3P .1226 .2156 .3063 .9 .0063 .0037 .0028 .0024 .0005 -.0015 |
|
O4 .1080 .4006 .2173 .0058 .0037 .0029 -.0011 .0003 -.0017 |
|
O4P .1030 .3567 .3693 .0064 .0044 .0082 .0028 -.0019 .0036 |
|
O7 .25 .3829 .1119 .0076 .0065 .0043 0 0 -.0034 |
|
O7P .25 .2675 .4149 .0009 .0085 .0071 0 0 .0014 |
|
O8 .0678 .1194 .1998 .0026 .0046 .0086 -.0006 -.0009 .0009 |
|
O9 .0519 .5 .3311 .0088 .0016 .0080 0 0 0 |
|
O10 .25 .1552 .2063 .0001 .0062 .0094 0 0 -.0037 |
|
OH1 .150 .130 .010 .10 .0005 |
|
OH2 .160 .130 .080 .10 .0005 |
|
CaC1 .25 .252 .050 .26908 .0007 |
|
NaC1 .25 .252 .050 .03658 .0007 |
|
KC1 .25 .252 .050 .00279 .0007 |
|
MgC1 .25 .252 .050 .00155 .0007 |
|
CaC2 .216 0 .188 .0868 .0008 |
|
NaC2 .216 0 .188 .0118 .0008 |
|
KC2 .216 0 .188 .0009 .0008 |
|
MgC2 .216 0 .188 .0005 .0008 |
|
CaC3 0 0 .5 .1302 .0011 |
|
NaC3 0 0 .5 .0177 .0011 |
|
KC3 0 0 .5 .00135 .0011 |
|
MgC3 0 0 .5 .00075 .0011 |
|
CaC4 .25 .5 .211 .54684 .0005 |
|
NaC4 .25 .5 .211 .07434 .0005 |
|
KC4 .25 .5 .211 .00567 .0005 |
|
MgC4 .25 .5 .211 .00315 .0005 |
|
Wat1 .25 0 .355 .24 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 100 C |
|
_database_code_amcsd 0008457 |
|
4.8025 10.3648 6.0529 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .537 .00793 |
|
MgM1 0 0 0 .463 .00793 |
|
FeM2 .9919 .2787 1/4 .463 .00532 |
|
MgM2 .9919 .2787 1/4 .537 .00532 |
|
Si .4253 .0977 1/4 .00247 |
|
O1 .7683 .0915 1/4 .01124 |
|
O2 .2172 .4510 1/4 .00681 |
|
O3 .2826 .1641 .0348 .00738 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 200 C |
|
_database_code_amcsd 0008458 |
|
4.8065 10.3759 6.0609 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .537 .00967 |
|
MgM1 0 0 0 .463 .00967 |
|
FeM2 .9918 .2788 1/4 .463 .00719 |
|
MgM2 .9918 .2788 1/4 .537 .00719 |
|
Si .4251 .0977 1/4 .00356 |
|
O1 .7680 .0918 1/4 .01309 |
|
O2 .2174 .4515 1/4 .00826 |
|
O3 .2826 .1640 .0348 .00847 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 300 C |
|
_database_code_amcsd 0008459 |
|
4.8106 10.3863 6.0682 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .530 .01136 |
|
MgM1 0 0 0 .470 .01136 |
|
FeM2 .9925 .2787 1/4 .470 .00876 |
|
MgM2 .9925 .2787 1/4 .530 .00876 |
|
Si .4252 .0975 1/4 .00456 |
|
O1 .7680 .0923 1/4 .01462 |
|
O2 .2172 .4519 1/4 .00964 |
|
O3 .2827 .1638 .0351 .00962 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 350 C |
|
_database_code_amcsd 0008460 |
|
4.8126 10.3916 6.0721 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .525 .01187 |
|
MgM1 0 0 0 .475 .01187 |
|
FeM2 .9922 .2785 1/4 .475 .00962 |
|
MgM2 .9922 .2785 1/4 .525 .00962 |
|
Si .4250 .0974 1/4 .00524 |
|
O1 .7676 .0924 1/4 .01533 |
|
O2 .2169 .4521 1/4 .01023 |
|
O3 .2827 .1637 .0353 .00997 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 400 C |
|
_database_code_amcsd 0008461 |
|
4.8147 10.3971 6.0760 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .514 .01264 |
|
MgM1 0 0 0 .486 .01264 |
|
FeM2 .9923 .2785 1/4 .486 .01062 |
|
MgM2 .9923 .2785 1/4 .514 .01062 |
|
Si .4248 .0973 1/4 .00586 |
|
O1 .7678 .0924 1/4 .01664 |
|
O2 .2174 .4522 1/4 .01118 |
|
O3 .2827 .1636 .0353 .01068 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 450 C |
|
_database_code_amcsd 0008462 |
|
4.8168 10.4029 6.0800 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .515 .01354 |
|
MgM1 0 0 0 .485 .01354 |
|
FeM2 .9917 .2787 1/4 .485 .01127 |
|
MgM2 .9917 .2787 1/4 .515 .01127 |
|
Si .4246 .0972 1/4 .00623 |
|
O1 .7678 .0922 1/4 .0176 |
|
O2 .2174 .4522 1/4 .01149 |
|
O3 .2826 .1633 .0354 .01172 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 500 C |
|
_database_code_amcsd 0008463 |
|
4.8190 10.4091 6.0841 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .518 .01450 |
|
MgM1 0 0 0 .482 .01450 |
|
FeM2 .9919 .2787 1/4 .482 .01203 |
|
MgM2 .9919 .2787 1/4 .518 .01203 |
|
Si .4245 .0973 1/4 .00667 |
|
O1 .7679 .0919 1/4 .0189 |
|
O2 .2177 .4523 1/4 .01211 |
|
O3 .2826 .1633 .0355 .01221 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 550 C |
|
_database_code_amcsd 0008464 |
|
4.8212 10.4148 6.0882 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .515 .01573 |
|
MgM1 0 0 0 .485 .01573 |
|
FeM2 .9919 .2787 1/4 .485 .01273 |
|
MgM2 .9919 .2787 1/4 .515 .01273 |
|
Si .4242 .0973 1/4 .00741 |
|
O1 .7675 .0917 1/4 .0202 |
|
O2 .2175 .4524 1/4 .01295 |
|
O3 .2826 .1631 .0354 .01317 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 600 C |
|
_database_code_amcsd 0008465 |
|
4.8233 10.4211 6.0923 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .506 .01608 |
|
MgM1 0 0 0 .494 .01608 |
|
FeM2 .9913 .2790 1/4 .494 .01395 |
|
MgM2 .9913 .2790 1/4 .506 .01395 |
|
Si .4240 .0974 1/4 .00821 |
|
O1 .7682 .0913 1/4 .0211 |
|
O2 .2175 .4526 1/4 .01402 |
|
O3 .2824 .1629 .0355 .01384 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 700 C |
|
_database_code_amcsd 0008466 |
|
4.8276 10.4332 6.1001 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .484 .01714 |
|
MgM1 0 0 0 .516 .01714 |
|
FeM2 .9912 .2793 1/4 .516 .01678 |
|
MgM2 .9912 .2793 1/4 .484 .01678 |
|
Si .4234 .0974 1/4 .00958 |
|
O1 .7680 .0918 1/4 .0217 |
|
O2 .2168 .4529 1/4 .01623 |
|
O3 .2827 .1627 .0356 .01546 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 800 C |
|
_database_code_amcsd 0008467 |
|
4.8321 10.4453 6.1078 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .460 .01801 |
|
MgM1 0 0 0 .540 .01801 |
|
FeM2 .9906 .2793 1/4 .540 .0203 |
|
MgM2 .9906 .2793 1/4 .460 .0203 |
|
Si .4224 .0983 1/4 .01137 |
|
O1 .7661 .0932 1/4 .0239 |
|
O2 .2147 .4530 1/4 .0201 |
|
O3 .2838 .1624 .0353 .01726 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 850 C |
|
_database_code_amcsd 0008468 |
|
4.8341 10.4515 6.1115 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .449 .01864 |
|
MgM1 0 0 0 .551 .01864 |
|
FeM2 .9902 .2792 1/4 .551 .0218 |
|
MgM2 .9902 .2792 1/4 .449 .0218 |
|
Si .4221 .0985 1/4 .01201 |
|
O1 .7658 .0933 1/4 .0245 |
|
O2 .2142 .4532 1/4 .0217 |
|
O3 .2839 .1625 .0354 .01856 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 900 C |
|
_database_code_amcsd 0008469 |
|
4.8363 10.4582 6.1155 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .443 .0194 |
|
MgM1 0 0 0 .557 .0194 |
|
FeM2 .9896 .2792 1/4 .557 .0233 |
|
MgM2 .9896 .2792 1/4 .443 .0233 |
|
Si .4217 .0988 1/4 .0131 |
|
O1 .7655 .0933 1/4 .0259 |
|
O2 .2139 .4535 1/4 .0229 |
|
O3 .2837 .1625 .0355 .01972 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 1050 C |
|
_database_code_amcsd 0008470 |
|
4.8426 10.4810 6.1284 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .449 .0177 |
|
MgM1 0 0 0 .551 .0177 |
|
FeM2 .9798 .2815 1/4 .551 .0267 |
|
MgM2 .9798 .2815 1/4 .449 .0267 |
|
Si .4205 .0958 1/4 .0165 |
|
O1 .7677 .0953 1/4 .0230 |
|
O2 .2211 .4537 1/4 .0260 |
|
O3 .2861 .1650 .0387 .0212 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 1150 C |
|
_database_code_amcsd 0008471 |
|
4.8472 10.4955 6.1368 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .436 .0196 |
|
MgM1 0 0 0 .564 .0196 |
|
FeM2 .9794 .2819 1/4 .564 .0301 |
|
MgM2 .9794 .2819 1/4 .436 .0301 |
|
Si .4203 .0959 1/4 .0180 |
|
O1 .7676 .0954 1/4 .0242 |
|
O2 .2214 .4540 1/4 .0283 |
|
O3 .2861 .1652 .0392 .0238 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 1200 C |
|
_database_code_amcsd 0008472 |
|
4.8488 10.5009 6.1399 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .420 .0202 |
|
MgM1 0 0 0 .580 .0202 |
|
FeM2 .9786 .2817 1/4 .580 .0317 |
|
MgM2 .9786 .2817 1/4 .420 .0317 |
|
Si .4202 .0960 1/4 .0186 |
|
O1 .7666 .0957 1/4 .0239 |
|
O2 .2207 .4543 1/4 .0289 |
|
O3 .2859 .1653 .0395 .0249 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 1225 C |
|
_database_code_amcsd 0008473 |
|
4.8494 10.5023 6.1409 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .418 .0200 |
|
MgM1 0 0 0 .582 .0200 |
|
FeM2 .9781 .2817 1/4 .582 .0317 |
|
MgM2 .9781 .2817 1/4 .418 .0317 |
|
Si .4210 .0955 1/4 .0184 |
|
O1 .7663 .0961 1/4 .0230 |
|
O2 .2211 .4541 1/4 .0292 |
|
O3 .2855 .1654 .0395 .0248 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Redfern S A T, Artioli G, Rinaldi R, Henderson C M B, Knight K S, Wood B J |
| |
Physics and Chemistry of Minerals 27 (2000) 630-637 |
|
Octahedral cation ordering in olivine at high temperature. II: an in situ |
|
neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) |
|
Sample: T = 1250 C |
|
_database_code_amcsd 0008474 |
|
4.8497 10.5034 6.1418 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
FeM1 0 0 0 .420 .0201 |
|
MgM1 0 0 0 .580 .0201 |
|
FeM2 .9764 .2818 1/4 .580 .0327 |
|
MgM2 .9764 .2818 1/4 .420 .0327 |
|
Si .4209 .0954 1/4 .0183 |
|
O1 .7672 .0967 1/4 .0219 |
|
O2 .2211 .4540 1/4 .0298 |
|
O3 .2857 .1658 .0399 .0252 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CoMgSiO4 |
| |
Rinaldi R, Gatta G D, Artioli G, Knight K S, Geiger C A |
| |
Physics and Chemistry of Minerals 32 (2005) 655-664 |
|
Crystal chemistry, cation ordering and thermoelastic |
|
behavior of CoMgSiO4 olivine at high temperature |
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as studied by in situ neutron powder diffraction |
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Sample: T = 20 C |
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_database_code_amcsd 0009012 |
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4.77572 10.27159 6.00235 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Co1 0 0 0 .698 .00278 |
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Mg1 0 0 0 .302 .00278 |
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Co2 .9912 .27708 .25 .302 .00507 |
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Mg2 .9912 .27708 .25 .698 .00507 |
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Si .42513 .09485 .25 .00385 |
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O1 .76762 .09247 .25 .00556 |
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O2 .21814 .44846 .25 .00542 |
|
O3 .27961 .16408 .03348 .00595 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CoMgSiO4 |
| |
Rinaldi R, Gatta G D, Artioli G, Knight K S, Geiger C A |
| |
Physics and Chemistry of Minerals 32 (2005) 655-664 |
|
Crystal chemistry, cation ordering and thermoelastic |
|
behavior of CoMgSiO4 olivine at high temperature |
|
as studied by in situ neutron powder diffraction |
|
Sample: T = 300 C |
|
_database_code_amcsd 0009013 |
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4.78873 10.30879 6.02484 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Co1 0 0 0 .684 .00868 |
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Mg1 0 0 0 .316 .00868 |
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Co2 .9899 .27732 .25 .316 .00886 |
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Mg2 .9899 .27732 .25 .684 .00886 |
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Si .4256 .09517 .25 .00635 |
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O1 .7667 .09342 .25 .01082 |
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O2 .2163 .44893 .25 .01067 |
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O3 .27897 .16389 .03391 .01111 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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|
CoMgSiO4 |
| |
Rinaldi R, Gatta G D, Artioli G, Knight K S, Geiger C A |
| |
Physics and Chemistry of Minerals 32 (2005) 655-664 |
|
Crystal chemistry, cation ordering and thermoelastic |
|
behavior of CoMgSiO4 olivine at high temperature |
|
as studied by in situ neutron powder diffraction |
|
Sample: T = 600 C |
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_database_code_amcsd 0009014 |
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4.80159 10.34656 6.04592 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Co1 0 0 0 .690 .01287 |
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Mg1 0 0 0 .310 .01287 |
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Co2 .9880 .27787 .25 .310 .01358 |
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Mg2 .9880 .27787 .25 .690 .01358 |
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Si .4257 .09582 .25 .01001 |
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O1 .7656 .09386 .25 .01497 |
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O2 .2173 .44962 .25 .01623 |
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O3 .27975 .16435 .03417 .01580 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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|
CoMgSiO4 |
| |
Rinaldi R, Gatta G D, Artioli G, Knight K S, Geiger C A |
| |
Physics and Chemistry of Minerals 32 (2005) 655-664 |
|
Crystal chemistry, cation ordering and thermoelastic |
|
behavior of CoMgSiO4 olivine at high temperature |
|
as studied by in situ neutron powder diffraction |
|
Sample: T = 800 C |
|
_database_code_amcsd 0009015 |
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4.81065 10.37135 6.06168 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Co1 0 0 0 .694 .01308 |
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Mg1 0 0 0 .306 .01308 |
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Co2 .9874 .28007 .25 .306 .01814 |
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Mg2 .9874 .28007 .25 .694 .01814 |
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Si .4250 .09449 .25 .01201 |
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O1 .7643 .09452 .25 .01703 |
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O2 .2178 .44985 .25 .01979 |
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O3 .28001 .16484 .03481 .02008 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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CoMgSiO4 |
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Rinaldi R, Gatta G D, Artioli G, Knight K S, Geiger C A |
| |
Physics and Chemistry of Minerals 32 (2005) 655-664 |
|
Crystal chemistry, cation ordering and thermoelastic |
|
behavior of CoMgSiO4 olivine at high temperature |
|
as studied by in situ neutron powder diffraction |
|
Sample: T = 1000 C |
|
_database_code_amcsd 0009016 |
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4.82045 10.39863 6.07821 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Co1 0 0 0 .659 .01773 |
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Mg1 0 0 0 .341 .01773 |
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Co2 .9875 .27961 .25 .341 .02268 |
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Mg2 .9875 .27961 .25 .659 .02268 |
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Si .4249 .09516 .25 .01518 |
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O1 .7640 .09441 .25 .02242 |
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O2 .2171 .45040 .25 .02325 |
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O3 .2801 .16480 .03503 .02233 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
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Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 20 C |
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_database_code_amcsd 0009057 |
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18.2429 8.8171 5.1894 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3780 .6514 .8714 .967 .00695 |
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FeM1 .3780 .6514 .8714 .023 .00695 |
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MgM2 .3754 .4879 .3508 .853 .01089 |
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FeM2 .3754 .4879 .3508 .127 .01089 |
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SiA .2700 .3468 .0527 .00153 |
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SiB .4724 .3370 .7975 .97 .00153 |
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AlB .4724 .3370 .7975 .03 .00153 |
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O1A .1840 .3305 .0362 .00218 |
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O1B .5618 .3462 .7963 .00218 |
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O2A .3092 .5042 .0396 .00218 |
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O2B .4318 .4895 .6888 .00218 |
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O3A .3036 .2281 -.1686 .00218 |
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O3B .4478 .1967 .6015 .00218 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
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Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,200 C |
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_database_code_amcsd 0009058 |
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18.4588 8.9638 5.2848 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3814 .6504 .8953 .919 .04519 |
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FeM1 .3814 .6504 .8953 .071 .04519 |
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MgM2 .3723 .4848 .3715 .901 .05034 |
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FeM2 .3723 .4848 .3715 .079 .05034 |
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SiA .2710 .3464 .0655 .01735 |
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SiB .4757 .3423 .7714 .97 .01735 |
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AlB .4757 .3423 .7714 .03 .01735 |
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O1A .1854 .3383 .0582 .01959 |
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O1B .5632 .3427 .7823 .01959 |
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O2A .3113 .5029 .0474 .01959 |
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O2B .4324 .4964 .7068 .01959 |
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O3A .3027 .2368 -.1691 .01959 |
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O3B .4503 .2093 .5739 .01959 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,175 C |
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_database_code_amcsd 0009059 |
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18.4517 8.9612 5.2797 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3814 .6514 .8937 .928 .04322 |
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FeM1 .3814 .6514 .8937 .062 .04322 |
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MgM2 .3729 .4850 .3692 .892 .04855 |
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FeM2 .3729 .4850 .3692 .088 .04855 |
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SiA .2712 .3464 .0647 .01682 |
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SiB .4756 .3417 .7733 .97 .01682 |
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AlB .4756 .3417 .7733 .03 .01682 |
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O1A .1856 .3390 .0562 .01900 |
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O1B .5629 .3435 .7843 .01900 |
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O2A .3119 .5031 .0477 .01900 |
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O2B .4321 .4956 .7053 .01900 |
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O3A .3028 .2363 -.1702 .01900 |
|
O3B .4503 .2082 .5758 .01900 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,150 C |
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_database_code_amcsd 0009060 |
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18.4450 8.9589 5.2749 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3812 .6516 .8913 .927 .04139 |
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FeM1 .3812 .6516 .8913 .063 .04139 |
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MgM2 .3731 .4852 .3673 .893 .04650 |
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FeM2 .3731 .4852 .3673 .087 .04650 |
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SiA .2710 .3473 .0621 .01572 |
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SiB .4753 .3398 .7761 .97 .01572 |
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AlB .4753 .3398 .7761 .03 .01572 |
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O1A .1852 .3395 .0535 .01780 |
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O1B .5626 .3430 .7859 .01780 |
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O2A .3115 .5039 .0470 .01780 |
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O2B .4321 .4944 .7045 .01780 |
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O3A .3024 .2353 -.1706 .01780 |
|
O3B .4499 .2071 .5776 .01780 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,125 C |
|
_database_code_amcsd 0009061 |
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18.4378 8.9555 5.2711 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3811 .6518 .8904 .925 .04085 |
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FeM1 .3811 .6518 .8904 .065 .04085 |
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MgM2 .3732 .4852 .3656 .895 .04562 |
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FeM2 .3732 .4852 .3656 .085 .04562 |
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SiA .2712 .3470 .0615 .01538 |
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SiB .4753 .3398 .7762 .97 .01538 |
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AlB .4753 .3398 .7762 .03 .01538 |
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O1A .1854 .3386 .0530 .01742 |
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O1B .5626 .3437 .7859 .01742 |
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O2A .3114 .5040 .0467 .01742 |
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O2B .4321 .4944 .7037 .01742 |
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O3A .3024 .2351 -.1703 .01742 |
|
O3B .4499 .2067 .5783 .01742 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,100 C |
|
_database_code_amcsd 0009062 |
|
18.4314 8.9520 5.2674 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3809 .6518 .8889 .925 .04020 |
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FeM1 .3809 .6518 .8889 .065 .04020 |
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MgM2 .3736 .4855 .3648 .895 .04412 |
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FeM2 .3736 .4855 .3648 .085 .04412 |
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SiA .2712 .3475 .0612 .01488 |
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SiB .4751 .3392 .7769 .97 .01488 |
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AlB .4751 .3392 .7769 .03 .01488 |
|
O1A .1853 .3386 .0516 .01687 |
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O1B .5627 .3429 .7863 .01687 |
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O2A .3112 .5045 .0467 .01687 |
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O2B .4321 .4934 .7026 .01687 |
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O3A .3026 .2348 -.1702 .01687 |
|
O3B .4499 .2061 .5792 .01687 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,075 C |
|
_database_code_amcsd 0009063 |
|
18.4244 8.9481 5.2639 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3807 .6519 .8876 .924 .03851 |
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FeM1 .3807 .6519 .8876 .066 .03851 |
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MgM2 .3740 .4848 .3645 .896 .04247 |
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FeM2 .3740 .4848 .3645 .084 .04247 |
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SiA .2712 .3473 .0599 .01460 |
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SiB .4751 .3385 .7767 .97 .01460 |
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AlB .4751 .3385 .7767 .03 .01460 |
|
O1A .1851 .3403 .0497 .01656 |
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O1B .5626 .3420 .7869 .01656 |
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O2A .3112 .5046 .0470 .01656 |
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O2B .4321 .4929 .7024 .01656 |
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O3A .3025 .2344 -.1702 .01656 |
|
O3B .4499 .2054 .5800 .01656 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,050 C |
|
_database_code_amcsd 0009064 |
|
18.4197 8.9449 5.2609 90 90 90 Pbca |
|
atom x y z occ Uiso |
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MgM1 .3806 .6508 .8844 .924 .03678 |
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FeM1 .3806 .6508 .8844 .066 .03678 |
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MgM2 .3736 .4851 .3667 .896 .04140 |
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FeM2 .3736 .4851 .3667 .084 .04140 |
|
SiA .2707 .3470 .0616 .01394 |
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SiB .4746 .3391 .7768 .97 .01394 |
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AlB .4746 .3391 .7768 .03 .01394 |
|
O1A .1847 .3419 .0484 .01583 |
|
O1B .5623 .3399 .7884 .01583 |
|
O2A .3105 .5052 .0453 .01583 |
|
O2B .4316 .4926 .7020 .01583 |
|
O3A .3024 .2343 -.1697 .01583 |
|
O3B .4501 .2047 .5813 .01583 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,025 C |
|
_database_code_amcsd 0009065 |
|
18.4125 8.9408 5.2577 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3806 .6516 .8829 .929 .03836 |
|
FeM1 .3806 .6516 .8829 .061 .03836 |
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MgM2 .3738 .4853 .3643 .891 .04045 |
|
FeM2 .3738 .4853 .3643 .089 .04045 |
|
SiA .2708 .3471 .0603 .01337 |
|
SiB .4745 .3387 .7781 .97 .01337 |
|
AlB .4745 .3387 .7781 .03 .01337 |
|
O1A .1849 .3416 .0481 .01520 |
|
O1B .5624 .3400 .7888 .01520 |
|
O2A .3105 .5057 .0452 .01520 |
|
O2B .4319 .4922 .7018 .01520 |
|
O3A .3023 .2340 -.1701 .01520 |
|
O3B .4498 .2041 .5818 .01520 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,000 C |
|
_database_code_amcsd 0009066 |
|
18.4047 8.9366 5.2543 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3801 .6525 .8848 .928 .03640 |
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FeM1 .3801 .6525 .8848 .062 .03640 |
|
MgM2 .3748 .4852 .3611 .892 .03988 |
|
FeM2 .3748 .4852 .3611 .088 .03988 |
|
SiA .2711 .3481 .0582 .01347 |
|
SiB .4747 .3375 .7783 .97 .01347 |
|
AlB .4747 .3375 .7783 .03 .01347 |
|
O1A .1852 .3385 .0474 .01531 |
|
O1B .5624 .3426 .7875 .01531 |
|
O2A .3108 .5052 .0462 .01531 |
|
O2B .4322 .4911 .7018 .01531 |
|
O3A .3027 .2335 -.1701 .01531 |
|
O3B .4496 .2037 .5820 .01531 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 975 C |
|
_database_code_amcsd 0009067 |
|
18.3995 8.9329 5.2519 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3803 .6520 .8821 .927 .03589 |
|
FeM1 .3803 .6520 .8821 .063 .03589 |
|
MgM2 .3743 .4852 .3617 .893 .03947 |
|
FeM2 .3743 .4852 .3617 .087 .03947 |
|
SiA .2707 .3472 .0590 .01273 |
|
SiB .4744 .3376 .7791 .97 .01273 |
|
AlB .4744 .3376 .7791 .03 .01273 |
|
O1A .1849 .3408 .0471 .01450 |
|
O1B .5622 .3409 .7890 .01450 |
|
O2A .3104 .5058 .0446 .01450 |
|
O2B .4320 .4916 .7012 .01450 |
|
O3A .3022 .2333 -.1700 .01450 |
|
O3B .4494 .2033 .5835 .01450 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 150 C |
|
_database_code_amcsd 0009068 |
|
18.2513 8.8274 5.1929 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3793 .6526 .8682 .972 .00709 |
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FeM1 .3793 .6526 .8682 .018 .00709 |
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MgM2 .3745 .4876 .3531 .848 .00974 |
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FeM2 .3745 .4876 .3531 .132 .00974 |
|
SiA .2694 .3475 .0505 .00361 |
|
SiB .4729 .3354 .7952 .97 .00361 |
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AlB .4729 .3354 .7952 .03 .00361 |
|
O1A .1832 .3374 .0381 .00447 |
|
O1B .5617 .3426 .7963 .00447 |
|
O2A .3094 .5056 .0372 .00447 |
|
O2B .4318 .4858 .6893 .00447 |
|
O3A .3044 .2255 -.1702 .00447 |
|
O3B .4474 .1976 .6020 .00447 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Phillipsite-Ca |
| |
Rinaldi R, Pluth J J, Smith J V |
 |
Acta Crystallographica B30 (1974) 2426-2433 |
|
Zeolites of the phillipsite family. Refinement of the crystal structure of |
|
phillipsite and harmotome |
|
_database_code_amcsd 0009518 |
|
9.865 14.300 8.668 90 124.20 90 P2_1/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K .8480 .25 .2076 2.4 .016524 .002323 .031131 0 .013933 0 |
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Ca .6080 .6262 .4401 .41 2.14 .006009 .004279 .009728 .000921 .001923 -.001609 |
|
Al1 .7362 .0248 .2805 .334 1.08 |
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Si1 .7362 .0248 .2805 .666 1.08 |
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Al2 .4206 .1409 .0019 .334 1.06 |
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Si2 .4206 .1409 .0019 .666 1.06 |
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Al3 .0604 .0078 .2844 .334 1.11 |
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Si3 .0604 .0078 .2844 .666 1.11 |
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Al4 .1204 .1396 .0421 .334 1.14 |
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Si4 .1204 .1396 .0421 .666 1.14 |
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O1 .1335 .0976 .2289 2.04 |
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O2 .6445 .5766 .1878 1.94 |
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O3 .6100 .1130 .1728 1.89 |
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O4 .0254 .9154 .1494 1.85 |
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O5 .8957 .0440 .2713 2.06 |
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O6 .3022 .3738 .0783 2.32 |
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O7 .7872 .4795 .4982 1.9 |
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O8 .5814 .75 .0616 1.94 |
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O9 .0665 .25 .0196 2.12 |
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Wat1 .7551 .75 .4733 7.8 .031545 .011125 .013620 0 .012394 0 |
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Wat2 .1552 .75 .4382 7.3 .036802 .005379 .019457 0 .005129 0 |
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Wat3 .3208 .8525 .174 8.8 .019903 .017727 .030158 -.001714 .014104 -.002682 |
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Wat4 .5085 .25 .4384 18.7 .016148 .069686 .013620 0 .009403 0 |
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Wat5 .5 .5 .5 16.6 .018026 .029830 .085609 .006857 .034619 .026581 |
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Harmotome |
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Rinaldi R, Pluth J J, Smith J V |
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Acta Crystallographica B30 (1974) 2426-2433 |
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Zeolites of the phillipsite family. Refinement of the crystal structure of |
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phillipsite and harmotome |
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_database_code_amcsd 0009519 |
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9.879 14.139 8.693 90 124.81 90 P2_1/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .86290 .25 .19441 5.5 .009783 .001515 .009986 0 .006095 0 |
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Ca .5869 .6286 .4799 .15 .029292 .014182 .045237 -.001714 -.001710 .002682 |
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Al1 .7367 .0248 .2840 .31 .82 |
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Si1 .7367 .0248 .2840 .69 .82 |
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Al2 .4214 .1410 .0136 .31 .77 |
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Si2 .4214 .1410 .0136 .69 .77 |
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Al3 .0577 .0075 .2898 .31 .78 |
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Si3 .0577 .0075 .2898 .69 .78 |
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Al4 .1216 .1390 .0375 .31 .85 |
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Si4 .1216 .1390 .0375 .69 .85 |
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O1 .1042 .0896 .1958 2.45 |
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O2 .6470 .5726 .1679 1.8 |
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O3 .6163 .1186 .1792 1.58 |
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O4 .0050 .9083 .1711 2.05 |
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O5 .9057 .0515 .2955 1.47 |
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O6 .3137 .3709 .1017 1.84 |
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O7 .7808 .4856 .4976 1.68 |
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O8 .5885 .75 .0573 1.76 |
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O9 .0661 .25 .0256 1.99 |
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Wat1 .8004 .75 .4889 5.5 .020279 .007947 .012647 0 .006411 0 |
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Wat2 .1148 .75 .4593 4.8 .027414 .003301 .014592 0 .010685 0 |
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Wat3 .3027 .8628 .1324 5.8 .018777 .008436 .017997 -.001286 .009830 -.003170 |
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Wat4 .4611 .75 .5134 47 .048068 .079466 .012160 0 .007693 0 |
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Wat5 .5 .5 .5 35 .022157 .103917 .067612 -.010928 .029490 -.034140 |
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Griphite |
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Rinaldi R |
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Bulletin de Mineralogie 101 (1978) 543-547 |
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The crystal structure of griphite, a complex phosphate, not a garnetoid |
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Locality: Alberes, East Pyrenees, France |
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_database_code_amcsd 0012066 |
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12.205 12.205 12.205 90 90 90 Pa3 |
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atom x y z occ Biso |
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Mn .0057 .1208 .2608 .59 1.333 |
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Na .0057 .1208 .2608 .17 1.333 |
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Li .0057 .1208 .2608 .09 1.333 |
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Ca .0057 .1208 .2608 .07 1.333 |
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Fe2+ .0057 .1208 .2608 .05 1.333 |
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Mg .0057 .1208 .2608 .01 1.333 |
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Ca 0 0 0 1.025 |
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Fe2+ .5 .5 .5 .7 1.05 |
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Al .5 .5 .5 .13 1.05 |
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Al .2846 .2846 .2846 .96 .92 |
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Fe3+ .2846 .2846 .2846 .04 .92 |
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P .0403 .3597 .2352 .97 .96 |
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O1 .1276 .2848 .2876 .97 1.17 |
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OH1 .1276 .2848 .2876 .03 1.17 |
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O2 .2785 .4403 .2828 .97 1.26 |
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OH2 .2785 .4403 .2828 .03 1.26 |
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O3 .0782 .3959 .1194 .97 1.42 |
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OH3 .0782 .3959 .1194 .03 1.42 |
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O4 .0171 .4604 .3036 .97 1.56 |
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OH4 .0171 .4604 .3036 .03 1.56 |
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F .1145 .1145 .1145 .8 1.86 |
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OH .1145 .1145 .1145 .2 1.86 |
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Wakefieldite-(Ce) |
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Baudracco-Gritti C, Quartieri S, Vezzalini G, Permingeat F, Pillard F, Rinaldi R |
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Bulletin de Mineralogie 110 (1987) 657-663 |
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Une wakefieldite-(Ce) non plombifere: nouvelles donnees sur |
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l'espece minerale correspondant a l'orthovanadate de cerium |
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_database_code_amcsd 0012088 |
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7.354 7.354 6.488 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce 0 .75 .125 .52 .74 .0112 .0112 .0059 0 0 0 |
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La 0 .75 .125 .18 .74 .0112 .0112 .0059 0 0 0 |
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Nd 0 .75 .125 .15 .74 .0112 .0112 .0059 0 0 0 |
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Y 0 .75 .125 .07 .74 .0112 .0112 .0059 0 0 0 |
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Pr 0 .75 .125 .05 .74 .0112 .0112 .0059 0 0 0 |
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Sm 0 .75 .125 .02 .74 .0112 .0112 .0059 0 0 0 |
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V 0 .75 .625 .92 .84 .0126 .0126 .0068 0 0 0 |
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As 0 .75 .625 .08 .84 .0126 .0126 .0068 0 0 0 |
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O 0 .0716 .2067 1.37 .024 .015 .013 0 0 -.001 |
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Gismondine |
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Artioli G, Rinaldi R, Kvick A, Smith J V |
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Zeolites 6 (1986) 361-366 |
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Neutron diffraction structure refinement of the zeolite gismondine at 15 K |
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Locality: synthetic |
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Sample: T = 15 K |
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_database_code_amcsd 0015867 |
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10.011 10.614 9.853 90 93.11 90 P2_1/c |
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atom x y z occ Uiso |
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Ca .71243 .07174 .35977 .111 |
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Al1 .09783 .11445 .16605 .059 |
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Al2 .58866 .86492 .14799 .056 |
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Si1 .41701 .11342 .18365 .052 |
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Si2 .90696 .87029 .16244 .049 |
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O1 .08594 .16268 .99653 .080 |
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O2 .26410 .08016 .21490 .079 |
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O3 .43831 .14684 .02648 .070 |
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O4 .24580 .40345 .30058 .077 |
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O5 .99985 .98818 .20919 .086 |
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O6 .04313 .24651 .25317 .070 |
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O7 .47039 .22764 .28039 .075 |
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O8 .51143 .99265 .22922 .070 |
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Ow1 .25843 .10659 .49653 .100 |
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H11 .20848 .31767 .01194 .175 |
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H12 .26257 .09735 .39871 .157 |
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Ow2 .59508 .13096 .55060 .093 |
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H21 .53278 .29830 .03790 .157 |
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H22 .56213 .41867 .12553 .152 |
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Ow3 .90921 .11782 .49859 .105 |
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H13 .97987 .17930 .47756 .384 .153 |
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H23 .94105 .42852 .07771 .197 |
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H33 .96046 .30710 .00027 .616 .115 |
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Ow4 .77553 .23209 .23491 .697 .114 |
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H14 .72229 .28729 .17445 .613 .159 |
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H24 .86970 .25232 .22989 .697 .153 |
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H34 .65855 .27923 .19458 .084 .164 |
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Ow5 .73447 .32137 .41318 .303 .128 |
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H15 .76015 .15794 .00480 .303 .209 |
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H25 .74585 .39881 .35918 .303 .191 |
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Ow6 .77947 .19590 .16474 .303 .142 |
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H16 .73394 .26797 .14126 .303 .217 |
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H26 .87648 .22894 .19538 .303 .220 |
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