|
Pyrope |
 |
Pavese A, Artioli G, Prencipe M |
 |
American Mineralogist 80 (1995) 457-464 |
|
X-ray single-crystal diffraction study of pyrope in the temperature range |
|
30-973 K |
|
T = 30 K |
|
_database_code_amcsd 0001740 |
|
11.439 11.439 11.439 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .000226 .000295 .000295 0 0 0 |
|
Al 0 0 0 .000283 .000283 .000283 -.000003 -.000003 -.000003 |
|
Mg 0 .25 .125 .000631 .000631 .000393 .000113 0 0 |
|
O .032907 .050688 .653311 .000438 .000534 .000359 .000055 -.000096 .000007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Pavese A, Artioli G, Prencipe M |
|
American Mineralogist 80 (1995) 457-464 |
|
X-ray single-crystal diffraction study of pyrope in the temperature range |
|
30-973 K |
|
T = 300 K |
|
_database_code_amcsd 0001741 |
|
11.4544 11.4544 11.4544 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .000410 .000550 .000550 0 0 0 |
|
Al 0 0 0 .000520 .000520 .000520 -.000002 -.000002 -.000002 |
|
Mg 0 .25 .125 .001622 .001622 .000738 .000483 0 0 |
|
O .03295 .05032 .65334 .000757 .000939 .000589 .000133 -.000174 -.000029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Pavese A, Artioli G, Prencipe M |
|
American Mineralogist 80 (1995) 457-464 |
|
X-ray single-crystal diffraction study of pyrope in the temperature range |
|
30-973 K |
|
T = 773 K |
|
_database_code_amcsd 0001742 |
|
11.5129 11.5129 11.5129 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .000921 .001290 .001290 0 0 0 |
|
Al 0 0 0 .001216 .001216 .001216 .000003 .000003 .000003 |
|
Mg 0 .25 .125 .003870 .003870 .001720 .001060 0 0 |
|
O .03306 .04963 .65344 .001720 .002170 .001310 .000314 -.000437 -.000077 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyrope |
|
Pavese A, Artioli G, Prencipe M |
|
American Mineralogist 80 (1995) 457-464 |
|
X-ray single-crystal diffraction study of pyrope in the temperature range |
|
30-973 K |
|
T = 973 K |
|
_database_code_amcsd 0001743 |
|
11.5348 11.5348 11.5348 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .00115 .00115 .00115 0 0 0 |
|
Al 0 0 0 .00153 .00153 .00153 -.000006 -.000006 -.000006 |
|
Mg 0 .25 .125 .00479 .00479 .00213 .001330 0 0 |
|
O .03304 .04942 .65354 .00215 .00267 .00164 .00037 -.00055 -.00007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pumpellyite-(Mn2+) |
| |
Artioli G, Pavese A, Bellotto M, Collins S P, Lucchetti G |
|
American Mineralogist 81 (1996) 603-610 |
|
Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction |
|
Rietveld study using synchrotron radiation |
|
Sample: SN1 |
|
_database_code_amcsd 0001793 |
|
8.8510 5.9345 19.1247 90 96.969 90 A2/m |
|
atom x y z occ Uiso |
|
Si1 .0453 0 .0896 .0269 |
|
Si2 .1670 0 .2493 .0269 |
|
Si3 .4529 0 .4011 .0269 |
|
MgX .5 .25 .25 .178 .0346 |
|
AlX .5 .25 .25 .494 .0346 |
|
MnX .5 .25 .25 .328 .0346 |
|
AlY .2530 .2475 .4954 .738 .0346 |
|
MnY .2530 .2475 .4954 .262 .0346 |
|
Ca1 .2529 .5 .3387 .0190 |
|
Ca2 .1943 .5 .1554 .0190 |
|
O1 .1332 .2358 .0742 .0126 |
|
O2 .2733 .2252 .2522 .0126 |
|
O3 .3592 .2331 .4142 .0126 |
|
O4 .1300 .5 .4456 .0126 |
|
OH5 .1268 0 .4583 .0126 |
|
O6 .3815 .5 .0495 .0126 |
|
OH7 .3714 0 .0348 .0126 |
|
O8 .0465 0 .1772 .0126 |
|
O9 .4723 .5 .1753 .0126 |
|
OH10 .0679 0 .3171 .0126 |
|
OH11 .5113 .5 .3155 .0126 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pumpellyite-(Mn2+) |
| |
Artioli G, Pavese A, Bellotto M, Collins S P, Lucchetti G |
|
American Mineralogist 81 (1996) 603-610 |
|
Mn crystal chemistry in pumpellyite: A resonant scattering powder diffraction |
|
Rietveld study using synchrotron radiation |
|
Sample: SN5 |
|
_database_code_amcsd 0001794 |
|
8.8330 5.9153 19.1009 90 97.154 90 A2/m |
|
atom x y z occ Uiso |
|
Si1 .0428 0 .0896 .0245 |
|
Si2 .1649 0 .2490 .0245 |
|
Si3 .4512 0 .4018 .0245 |
|
MgX .5 .25 .25 .290 .0305 |
|
AlX .5 .25 .25 .442 .0305 |
|
MnX .5 .25 .25 .268 .0305 |
|
AlY .2478 .2483 .4950 .897 .0305 |
|
MnY .2478 .2483 .4950 .103 .0305 |
|
Ca1 .2527 .5 .3388 .0245 |
|
Ca2 .1925 .5 .1548 .0245 |
|
O1 .1360 .2296 .0714 .0107 |
|
O2 .2703 .2264 .2496 .0107 |
|
O3 .3608 .2268 .4154 .0107 |
|
O4 .1349 .5 .4460 .0107 |
|
OH5 .1283 0 .4575 .0107 |
|
O6 .3743 .5 .0477 .0107 |
|
OH7 .3753 0 .0320 .0107 |
|
O8 .0439 0 .1767 .0107 |
|
O9 .4761 .5 .1768 .0107 |
|
OH10 .0677 0 .3173 .0107 |
|
OH11 .5045 .5 .3155 .0107 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 0.0 kbar |
|
_database_code_amcsd 0002231 |
|
8.0704 8.0704 8.0704 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8035 .0040 |
|
Al .125 .125 .125 .1760 .0040 |
|
Al .5 .5 .5 .9324 .0041 |
|
Mg .5 .5 .5 .0675 .0041 |
|
O .26171 .26171 .26171 .0068 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 0.7 kbar |
|
_database_code_amcsd 0002232 |
|
8.0694 8.0694 8.0694 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8243 .0047 |
|
Al .125 .125 .125 .1552 .0047 |
|
Al .5 .5 .5 .9428 .0045 |
|
Mg .5 .5 .5 .0572 .0045 |
|
O .26174 .26174 .26174 .0073 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 6.3 kbar |
|
_database_code_amcsd 0002233 |
|
8.0616 8.0616 8.0616 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8139 .0067 |
|
Al .125 .125 .125 .1657 .0067 |
|
Al .5 .5 .5 .9376 .0049 |
|
Mg .5 .5 .5 .0624 .0049 |
|
O .26146 .26146 .26146 .0085 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 18.2 kbar |
|
_database_code_amcsd 0002234 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9387 .015 |
|
Al .125 .125 .125 .0500 .015 |
|
Al .5 .5 .5 .9954 .0016 |
|
O .26139 .26139 .26139 .0100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 26.5 kbar |
|
_database_code_amcsd 0002235 |
|
8.0339 8.0339 8.0339 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9386 .018 |
|
Al .125 .125 .125 .0558 .018 |
|
Al .5 .5 .5 .9916 .0002 |
|
Mg .5 .5 .5 .0007 .0002 |
|
O .26108 .26108 .26108 .0110 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 38.1 kbar |
|
_database_code_amcsd 0002236 |
|
8.0187 8.0187 8.0187 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9387 .020 |
|
Al .125 .125 .125 .0459 .020 |
|
Al .5 .5 .5 .9975 .0020 |
|
O .26079 .26079 .26079 .0119 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 300 K |
|
_database_code_amcsd 0002576 |
|
8.4418 8.4418 8.4418 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0083 |
|
Fe .125 .125 .125 .0240 .0039 |
|
Zn .125 .125 .125 .9760 .0039 |
|
O .2603 .2603 .2603 .0080 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 500 K |
|
_database_code_amcsd 0002577 |
|
8.4560 8.4560 8.4560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0112 |
|
Fe .125 .125 .125 .0262 .0078 |
|
Zn .125 .125 .125 .9738 .0078 |
|
O .2602 .2602 .2602 .0118 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 700 K |
|
_database_code_amcsd 0002578 |
|
8.4713 8.4713 8.4713 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0141 |
|
Fe .125 .125 .125 .0221 .0115 |
|
Zn .125 .125 .125 .9779 .0115 |
|
O .2601 .2601 .2601 .0147 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 800 K |
|
_database_code_amcsd 0002579 |
|
8.4785 8.4785 8.4785 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9891 .0152 |
|
Zn .5 .5 .5 .0109 .0152 |
|
Fe .125 .125 .125 .0419 .0135 |
|
Zn .125 .125 .125 .9581 .0135 |
|
O .2599 .2599 .2599 .0169 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 850 K |
|
_database_code_amcsd 0002580 |
|
8.4827 8.4827 8.4827 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9826 .0162 |
|
Zn .5 .5 .5 .0174 .0162 |
|
Fe .125 .125 .125 .0548 .0139 |
|
Zn .125 .125 .125 .9452 .0139 |
|
O .2597 .2597 .2597 .0177 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 900 K |
|
_database_code_amcsd 0002581 |
|
8.4870 8.4870 8.4870 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9746 .0152 |
|
Zn .5 .5 .5 .0254 .0152 |
|
Fe .125 .125 .125 .0709 .0157 |
|
Zn .125 .125 .125 .9291 .0157 |
|
O .2596 .2596 .2596 .0213 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 950 K |
|
_database_code_amcsd 0002582 |
|
8.4914 8.4914 8.4914 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9711 .0159 |
|
Zn .5 .5 .5 .0289 .0159 |
|
Fe .125 .125 .125 .0778 .0170 |
|
Zn .125 .125 .125 .9222 .0170 |
|
O .2594 .2594 .2594 .0226 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1000 K |
|
_database_code_amcsd 0002583 |
|
8.4956 8.4956 8.4956 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9632 .0192 |
|
Zn .5 .5 .5 .0368 .0192 |
|
Fe .125 .125 .125 .0936 .0172 |
|
Zn .125 .125 .125 .9064 .0172 |
|
O .2595 .2595 .2595 .0208 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1100 K |
|
_database_code_amcsd 0002584 |
|
8.5038 8.5038 8.5038 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9430 .0215 |
|
Zn .5 .5 .5 .0560 .0215 |
|
Fe .125 .125 .125 .1341 .0184 |
|
Zn .125 .125 .125 .8659 .0184 |
|
O .2592 .2592 .2592 .0227 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1200 K |
|
_database_code_amcsd 0002585 |
|
8.5130 8.5130 8.5130 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9128 .0229 |
|
Zn .5 .5 .5 .0872 .0229 |
|
Fe .125 .125 .125 .1975 .0213 |
|
Zn .125 .125 .125 .8025 .0213 |
|
O .2589 .2589 .2589 .0259 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1300 K |
|
_database_code_amcsd 0002586 |
|
8.5220 8.5220 8.5220 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8992 .0250 |
|
Zn .5 .5 .5 .1007 .0250 |
|
Fe .125 .125 .125 .2216 .0204 |
|
Zn .125 .125 .125 .7784 .0204 |
|
O .2586 .2586 .2586 .0289 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1400 K |
|
_database_code_amcsd 0002587 |
|
8.5318 8.5318 8.5318 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8600 .0272 |
|
Zn .5 .5 .5 .1400 .0272 |
|
Fe .125 .125 .125 .3007 .0211 |
|
Zn .125 .125 .125 .6993 .0211 |
|
O .2585 .2585 .2585 .0329 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1500 K |
|
_database_code_amcsd 0002588 |
|
8.5450 8.5450 8.5450 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8423 .0322 |
|
Zn .5 .5 .5 .1577 .0322 |
|
Fe .125 .125 .125 .3403 .0283 |
|
Zn .125 .125 .125 .6597 .0283 |
|
O .2577 .2577 .2577 .0357 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 0.0 GPa |
|
_database_code_amcsd 0002933 |
|
8.08149 8.08149 8.08149 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26262 .26262 .26262 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 0.6 GPa |
|
_database_code_amcsd 0002934 |
|
8.07262 8.07262 8.07262 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26265 .26265 .26265 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 1.1 GPa |
|
_database_code_amcsd 0002935 |
|
8.06652 8.06652 8.06652 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26261 .26261 .26261 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 1.7 GPa |
|
_database_code_amcsd 0002936 |
|
8.05714 8.05714 8.05714 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26195 .26195 .26195 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 3.1 GPa |
|
_database_code_amcsd 0002937 |
|
8.04100 8.04100 8.04100 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26260 .26260 .26260 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 4.5 GPa |
|
_database_code_amcsd 0002938 |
|
8.02441 8.02441 8.02441 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26251 .26251 .26251 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 5.0 GPa |
|
_database_code_amcsd 0002939 |
|
8.01530 8.01530 8.01530 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26192 .26192 .26192 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 5.9 GPa |
|
_database_code_amcsd 0002940 |
|
8.00560 8.00560 8.00560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26227 .26227 .26227 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 7.2 GPa |
|
_database_code_amcsd 0002941 |
|
7.98909 7.98909 7.98909 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26226 .26226 .26226 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 8.1 GPa |
|
_database_code_amcsd 0002942 |
|
7.98193 7.98193 7.98193 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26215 .26215 .26215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 9.1 GPa |
|
_database_code_amcsd 0002943 |
|
7.97068 7.97068 7.97068 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26251 .26251 .26251 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 10.1 GPa |
|
_database_code_amcsd 0002944 |
|
7.96121 7.96121 7.96121 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26303 .26303 .26303 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 11.1 GPa |
|
_database_code_amcsd 0002945 |
|
7.94976 7.94976 7.94976 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26239 .26239 .26239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 12.4 GPa |
|
_database_code_amcsd 0002946 |
|
7.93731 7.93731 7.93731 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26240 .26240 .26240 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 13.9 GPa |
|
_database_code_amcsd 0002947 |
|
7.92235 7.92235 7.92235 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26249 .26249 .26249 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 15.6 GPa |
|
_database_code_amcsd 0002948 |
|
7.90729 7.90729 7.90729 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26295 .26295 .26295 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 17.0 GPa |
|
_database_code_amcsd 0002949 |
|
7.89371 7.89371 7.89371 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26298 .26298 .26298 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 18.5 GPa |
|
_database_code_amcsd 0002950 |
|
7.88263 7.88263 7.88263 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26222 .26222 .26222 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 20.2 GPa |
|
_database_code_amcsd 0002951 |
|
7.86493 7.86493 7.86493 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26208 .26208 .26208 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 22.6 GPa |
|
_database_code_amcsd 0002952 |
|
7.84685 7.84685 7.84685 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26299 .26299 .26299 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 25.1 GPa |
|
_database_code_amcsd 0002953 |
|
7.82825 7.82825 7.82825 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26221 .26221 .26221 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 29.0 GPa |
|
_database_code_amcsd 0002954 |
|
7.79994 7.79994 7.79994 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26220 .26220 .26220 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 298 K |
|
_database_code_amcsd 0003801 |
|
8.3291 8.3291 8.3291 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0079 |
|
Cr .5 .5 .5 .0077 |
|
O .2666 .2666 .2666 .0083 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 393 K |
|
_database_code_amcsd 0003802 |
|
8.3330 8.3330 8.3330 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0093 |
|
Cr .5 .5 .5 .0096 |
|
O .2666 .2666 .2666 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 463 K |
|
_database_code_amcsd 0003803 |
|
8.3391 8.3391 8.3391 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0097 |
|
Cr .5 .5 .5 .0097 |
|
O .2662 .2662 .2662 .0101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 613 K |
|
_database_code_amcsd 0003804 |
|
8.3456 8.3456 8.3456 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0099 |
|
Cr .5 .5 .5 .0096 |
|
O .2665 .2665 .2665 .0098 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 702 K |
|
_database_code_amcsd 0003805 |
|
8.3519 8.3519 8.3519 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0102 |
|
Cr .5 .5 .5 .0099 |
|
O .2648 .2648 .2648 .0102 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 788 K |
|
_database_code_amcsd 0003806 |
|
8.3588 8.3588 8.3588 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0103 |
|
Cr .5 .5 .5 .0101 |
|
O .2642 .2642 .2642 .0109 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 901 K |
|
_database_code_amcsd 0003807 |
|
8.3654 8.3654 8.3654 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0105 |
|
Cr .5 .5 .5 .0103 |
|
O .2669 .2669 .2669 .0107 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 994 K |
|
_database_code_amcsd 0003808 |
|
8.3716 8.3716 8.3716 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0109 |
|
Cr .5 .5 .5 .0102 |
|
O .2648 .2648 .2648 .0109 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 1072 K |
|
_database_code_amcsd 0003809 |
|
8.3777 8.3777 8.3777 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0111 |
|
Cr .5 .5 .5 .0105 |
|
O .2675 .2675 .2675 .0111 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 1162 K |
|
_database_code_amcsd 0003810 |
|
8.3834 8.3834 8.3834 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0112 |
|
Cr .5 .5 .5 .0105 |
|
O .2676 .2676 .2676 .0108 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
American Mineralogist 90 (2005) 1157-1162 |
|
P-V equation of state, thermal expansion, and P-T stability of |
|
synthetic zincochromite (ZnCr2O4 spinel) |
|
Sample: T = 1236 K |
|
_database_code_amcsd 0003811 |
|
8.3880 8.3880 8.3880 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
Zn .125 .125 .125 .0117 |
|
Cr .5 .5 .5 .0106 |
|
O .2650 .2650 .2650 .0106 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = 0.0001 GPa in air |
|
_database_code_amcsd 0004673 |
|
13.084 13.084 13.784 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .3659 .3643 .1144 .948 .0642 |
|
NaK .3659 .3643 .1144 .026 .0642 |
|
FeT1 .0576 .3964 .1666 .003 .0242 |
|
AlT1 .0576 .3964 .1666 .330 .0242 |
|
SiT1 .0576 .3964 .1666 .667 .0242 |
|
FeT2 .1678 .6114 .1284 .003 .0244 |
|
AlT2 .1678 .6114 .1284 .330 .0244 |
|
SiT2 .1678 .6114 .1284 .667 .0244 |
|
FeT3 .3922 .6419 .0860 .003 .0237 |
|
AlT3 .3922 .6419 .0860 .330 .0237 |
|
SiT3 .3922 .6419 .0860 .667 .0237 |
|
O1 .1328 .3144 .1105 .040 |
|
O2 .0918 .5115 .1311 .036 |
|
O3 .1460 .6806 .2274 .032 |
|
O4 .1341 .6856 .0367 .036 |
|
O5 .2896 .5752 .1201 .032 |
|
O6 .4828 .6177 .1666 .031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = 0.0001 GPa in diamond cell |
|
_database_code_amcsd 0004674 |
|
13.097 13.097 13.755 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .36444 .3632 .1146 .948 .063 |
|
NaK .36444 .3632 .1146 .026 .063 |
|
FeT1 .0586 .3966 .1668 .003 .012 |
|
AlT1 .0586 .3966 .1668 .330 .012 |
|
SiT1 .0586 .3966 .1668 .667 .012 |
|
FeT2 .1683 .6101 .1281 .003 .012 |
|
AlT2 .1683 .6101 .1281 .330 .012 |
|
SiT2 .1683 .6101 .1281 .667 .012 |
|
FeT3 .3925 .6417 .0870 .003 .012 |
|
AlT3 .3925 .6417 .0870 .330 .012 |
|
SiT3 .3925 .6417 .0870 .667 .012 |
|
O1 .1342 .3125 .1114 .020 |
|
O2 .0886 .5107 .1284 .020 |
|
O3 .1441 .6773 .2274 .020 |
|
O4 .1320 .6837 .0363 .020 |
|
O5 .2899 .5756 .1221 .020 |
|
O6 .4839 .6179 .1665 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = 0.38 GPa |
|
_database_code_amcsd 0004675 |
|
13.053 13.053 13.732 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .3660 .3648 .1149 .948 .052 |
|
NaK .3660 .3648 .1149 .026 .052 |
|
FeT1 .0569 .3970 .1669 .003 .0094 |
|
AlT1 .0569 .3970 .1669 .330 .0094 |
|
SiT1 .0569 .3970 .1669 .667 .0094 |
|
FeT2 .1690 .6105 .1273 .003 .0094 |
|
AlT2 .1690 .6105 .1273 .330 .0094 |
|
SiT2 .1690 .6105 .1273 .667 .0094 |
|
FeT3 .3926 .6414 .0864 .003 .0094 |
|
AlT3 .3926 .6414 .0864 .330 .0094 |
|
SiT3 .3926 .6414 .0864 .667 .0094 |
|
O1 .1308 .3137 .1103 .016 |
|
O2 .0900 .5114 .1295 .016 |
|
O3 .1438 .6794 .2261 .016 |
|
O4 .1279 .6851 .0358 .016 |
|
O5 .2896 .5725 .1197 .016 |
|
O6 .4838 .6149 .1659 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = 1.20 GPa |
|
_database_code_amcsd 0004676 |
|
12.955 12.955 13.684 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .3650 .3640 .1156 .948 .050 |
|
NaK .3650 .3640 .1156 .026 .050 |
|
FeT1 .0552 .3971 .1679 .003 .011 |
|
AlT1 .0552 .3971 .1679 .330 .011 |
|
SiT1 .0552 .3971 .1679 .667 .011 |
|
FeT2 .1672 .6130 .1281 .003 .011 |
|
AlT2 .1672 .6130 .1281 .330 .011 |
|
SiT2 .1672 .6130 .1281 .667 .011 |
|
FeT3 .3920 .6399 .0875 .003 .011 |
|
AlT3 .3920 .6399 .0875 .330 .011 |
|
SiT3 .3920 .6399 .0875 .667 .011 |
|
O1 .1325 .3154 .1119 .016 |
|
O2 .0884 .5126 .1311 .016 |
|
O3 .1466 .6832 .2277 .016 |
|
O4 .1314 .6876 .0359 .016 |
|
O5 .2875 .5713 .1209 .016 |
|
O6 .4843 .6156 .1678 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = 1.77 GPa |
|
_database_code_amcsd 0004677 |
|
12.891 12.891 13.653 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .3648 .3636 .1171 .948 .043 |
|
NaK .3648 .3636 .1171 .026 .043 |
|
FeT1 .0543 .3994 .1670 .003 .012 |
|
AlT1 .0543 .3994 .1670 .330 .012 |
|
SiT1 .0543 .3994 .1670 .667 .012 |
|
FeT2 .1663 .6132 .1289 .003 .012 |
|
AlT2 .1663 .6132 .1289 .330 .012 |
|
SiT2 .1663 .6132 .1289 .667 .012 |
|
FeT3 .3921 .6401 .0867 .003 .012 |
|
AlT3 .3921 .6401 .0867 .330 .012 |
|
SiT3 .3921 .6401 .0867 .667 .012 |
|
O1 .1339 .3174 .1118 .019 |
|
O2 .0859 .5147 .1290 .019 |
|
O3 .1479 .6847 .2280 .019 |
|
O4 .1325 .6907 .0372 .019 |
|
O5 .2873 .5714 .1178 .019 |
|
O6 .4823 .6180 .1704 .019 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leucite |
|
Gatta G D, Rotiroti N, Ballaran T B, Pavese A |
| |
American Mineralogist 93 (2008) 1588-1596 |
|
Leucite at high pressure: Elastic behavior, phase stability, |
|
and petrological implications |
|
Locality: Sabatini volcanic district, Lazium, Italy |
|
Note: P = .0001 GPa in air after decompression |
|
_database_code_amcsd 0004678 |
|
13.073 13.073 13.731 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ Uiso |
|
KK .36560 .3642 .1138 .948 .0498 |
|
NaK .36560 .3642 .1138 .026 .0498 |
|
FeT1 .0574 .3964 .1669 .003 .0109 |
|
AlT1 .0574 .3964 .1669 .330 .0109 |
|
SiT1 .0574 .3964 .1669 .667 .0109 |
|
FeT2 .1674 .6115 .1281 .003 .0101 |
|
AlT2 .1674 .6115 .1281 .330 .0101 |
|
SiT2 .1674 .6115 .1281 .667 .0101 |
|
FeT3 .3925 .6417 .08628 .003 .0102 |
|
AlT3 .3925 .6417 .08628 .330 .0102 |
|
SiT3 .3925 .6417 .08628 .667 .0102 |
|
O1 .1320 .3146 .1101 .0270 |
|
O2 .0914 .5111 .1309 .0237 |
|
O3 .1455 .6804 .2272 .0173 |
|
O4 .1334 .6851 .0360 .0217 |
|
O5 .2893 .5760 .1205 .0197 |
|
O6 .4836 .6173 .1668 .0176 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pollucite |
|
Gatta G D, Rotiroti N, Boffa Ballaran T, Sanchez-Valle C, Pavese A |
| |
American Mineralogist 94 (2009) 1137-1143 |
|
Elastic behavior and phase stability of pollucite, a potential host for nuclear waste |
|
Locality: Greenwood, Oxford County, Maine, USA |
|
_database_code_amcsd 0004971 |
|
13.667 13.667 13.667 90 90 90 Ia3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs .125 .125 .125 .670 .0348 .0348 .0348 .0348 .0040 .0040 .0040 |
|
Wat .125 .125 .125 .330 .0348 .0348 .0348 .0348 .0040 .0040 .0040 |
|
Na .25 .125 0 .068 .022 |
|
SiT .125 .66217 .58783 .739 .0152 .0144 .0156 .0156 .0025 .0025 -.0022 |
|
AlT .125 .66217 .58783 .256 .0152 .0144 .0156 .0156 .0025 .0025 -.0022 |
|
O .1047 .1336 .7196 .0402 .049 .045 .025 .009 .0100 .0022 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vesuvianite |
|
Pavese A, Prencipe M, Tribaudino M |
|
The Canadian Mineralogist 36 (1998) 1029-1037 |
|
X-ray and neutron single-crystal study of P4/n vesuvianite |
|
Sample: neutron |
|
_database_code_amcsd 0005551 |
|
15.532 15.532 11.821 90 90 90 *P4/n |
|
-.25 .25 0 |
|
atom x y z occ Uiso |
|
Si1a .25 .75 0 .0066 |
|
Si1b .75 .25 .5 .0087 |
|
Si2a .6801 .4604 .1295 .0055 |
|
Si2b .4590 .6803 .3710 .0039 |
|
Si3a .3492 .4164 .1358 .0076 |
|
Si3b .4163 .3495 .3639 .0081 |
|
Ca1 .75 .25 .2520 .012 |
|
Ca2a .5434 .3106 .1205 .0057 |
|
Ca2b .3108 .5437 .3807 .0086 |
|
Ca3a .6018 .6816 .1129 .019 |
|
Ca3b .6819 .6013 .3872 .0178 |
|
Ca4a .25 .25 .3523 .72 .0170 |
|
Ca4b .25 .25 .15040 .28 .0170 |
|
AlM1a .5 .5 0 .0127 |
|
AlM1b .5 .5 .5 .0127 |
|
AlM2a .3888 .6210 .1258 .75 .0068 |
|
MgM2a .3888 .6210 .1258 .23 .0068 |
|
FeM2a .3888 .6210 .1258 .02 .0068 |
|
AlM2b .6208 .3872 .3743 .73 .0068 |
|
MgM2b .6208 .3872 .3743 .25 .0068 |
|
FeM2b .6208 .3872 .3743 .02 .0068 |
|
FeM3a .25 .25 .0329 .70 .0159 |
|
FeM3b .25 .25 .4691 .30 .0159 |
|
H10a .75 .75 .2133 .21 |
|
H10b .75 .75 .4448 .21 |
|
H10c .75 .75 .2841 .21 |
|
H11a .4961 .5603 .2179 .26 |
|
H11b .5606 .4972 .2825 .26 |
|
O1a .2791 .6727 .0845 .0083 |
|
O1b .6728 .2800 .4146 .0049 |
|
O2a .6594 .3824 .2215 .0067 |
|
O2b .3828 .6604 .2776 .0088 |
|
O3a .4517 .7221 .0763 .0076 |
|
O3b .7225 .4523 .4243 .0064 |
|
O4a .6065 .4382 .0311 .0075 |
|
O4b .4374 .6066 .4710 .0061 |
|
O5a .3294 .5143 .1785 .0095 |
|
O5b .5146 .3297 .3222 .0079 |
|
O6a .2712 .3796 .0597 .0124 |
|
O6b .3802 .2714 .4405 .0108 |
|
O7a .6726 .5555 .1780 .0075 |
|
O7b .5550 .6734 .3202 .0097 |
|
O8a .4386 .4092 .0657 .0065 |
|
O8b .4092 .4394 .4328 .0079 |
|
O9 .3550 .3553 .2485 .0069 |
|
Oh10a .75 .75 .1330 .011 |
|
Oh10b .75 .75 .3645 .011 |
|
Oh11a .4961 .5603 .1375 .0077 |
|
Oh11b .5606 .4972 .3628 .0091 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vesuvianite |
|
Pavese A, Prencipe M, Tribaudino M |
|
The Canadian Mineralogist 36 (1998) 1029-1037 |
|
X-ray and neutron single-crystal study of P4/n vesuvianite |
|
Sample: X-ray |
|
_database_code_amcsd 0005552 |
|
15.532 15.532 11.821 90 90 90 *P4/n |
|
-.25 .25 0 |
|
atom x y z occ Uiso |
|
Si1a .25 .75 0 .0056 |
|
Si1b .75 .25 .5 .0042 |
|
Si2a .6814 .4602 .1303 .0058 |
|
Si2b .4584 .6796 .3728 .0047 |
|
Si3a .3488 .4129 .1342 .0065 |
|
Si3b .4196 .3496 .3633 .0056 |
|
Ca1 .75 .25 .2498 .0077 |
|
Ca2a .5453 .3117 .1195 .0069 |
|
Ca2b .3100 .5429 .3789 .0075 |
|
Ca3a .5992 .6784 .1212 .0111 |
|
Ca3b .6853 .6041 .3959 .0127 |
|
Ca4a .25 .25 .3504 .85 .0080 |
|
Ca4b .25 .25 .153 .15 .0080 |
|
AlM1a .5 .5 0 .0056 |
|
AlM1b .5 .5 .5 .0056 |
|
AlM2a .3865 .6199 .1258 .75 .0029 |
|
MgM2a .3865 .6199 .1258 .23 .0029 |
|
FeM2a .3865 .6199 .1258 .02 .0029 |
|
AlM2b .6228 .3893 .3730 .73 .0029 |
|
MgM2b .6228 .3893 .3730 .25 .0029 |
|
FeM2b .6228 .3893 .3730 .02 .0029 |
|
FeM3a .25 .25 .0315 .85 .0117 |
|
FeM3b .25 .25 .463 .15 .0117 |
|
O1a .2785 .6725 .0856 .008 |
|
O1b .6733 .2814 .4152 .006 |
|
O2a .6619 .3840 .2231 .0053 |
|
O2b .3819 .6576 .2822 .009 |
|
O3a .4523 .7222 .0759 .008 |
|
O3b .7224 .4514 .4251 .007 |
|
O4a .6063 .4391 .0332 .008 |
|
O4b .4374 .6054 .4724 .0074 |
|
O5a .3273 .5105 .1775 .0089 |
|
O5b .5179 .3315 .3196 .0075 |
|
O6a .2719 .3753 .0573 .010 |
|
O6b .3847 .2715 .4379 .011 |
|
O7a .6755 .5562 .1825 .010 |
|
O7b .5560 .6702 .3261 .0073 |
|
O8a .4398 .4079 .0650 .008 |
|
O8b .4092 .4391 .4314 .009 |
|
O9 .3582 .3515 .2494 .0075 |
|
OH10a .75 .75 .1275 .008 |
|
OH10b .75 .75 .3569 .012 |
|
OH11a .4953 .5600 .1367 .0085 |
|
OH11b .5629 .4962 .3649 .0094 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Prencipe M, Tribaudino M, Pavese A, Hoser A, Reehuis M |
|
The Canadian Mineralogist 38 (2000) 183-189 |
|
A single-crystal neutron-diffraction investigation of diopside at 10 K |
|
_database_code_amcsd 0005645 |
|
9.735 8.898 5.242 90 105.72 90 C2/c |
|
atom x y z Biso |
|
Ca2 0 .3020 .25 .26 |
|
Mg1 0 .9085 .25 .11 |
|
Si .2865 .0936 .2293 .08 |
|
O1 .1155 .0880 .1425 .13 |
|
O2 .3612 .2504 .3193 .18 |
|
O3 .3510 .0180 .9946 .18 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
European Journal of Mineralogy 6 (1994) 171-178 |
|
Powder neutron diffraction study of 2M_1 muscovite |
|
at room pressure and at 2 GPa |
|
Sample: P = 1 bar |
|
_database_code_amcsd 0006533 |
|
5.2108 9.0399 20.021 90 95.76 90 C2/c |
|
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 0 .0949 1/4 .90 2.1 |
|
Na 0 .0949 1/4 .07 2.1 |
|
Al .2489 .0834 -.0010 .80 .61 |
|
Fe .2489 .0834 -.0010 .11 .61 |
|
Mg .2489 .0834 -.0010 .08 .61 |
|
Ti .2489 .0834 -.0010 .01 .61 |
|
Si1 .4636 .9267 .1375 .80 .8 |
|
Al1 .4636 .9267 .1375 .20 .8 |
|
Si2 .4544 .2586 .1365 .80 1.2 |
|
Al2 .4544 .2586 .1365 .20 1.2 |
|
O1 .4284 .0934 .1687 1.20 |
|
O2 .2453 .8154 .1580 1.34 |
|
O3 .2475 .3663 .1695 1.48 |
|
O4 .4638 .9419 .0537 .69 |
|
O5 .3906 .2505 .0535 .82 |
|
O6 .4539 .5625 .0515 1.48 |
|
H .3642 .6525 .0559 4.2 .0042 .0035 .0006 .0000 .0018 .0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
European Journal of Mineralogy 6 (1994) 171-178 |
|
Powder neutron diffraction study of 2M_1 muscovite |
|
at room pressure and at 2 GPa |
|
Sample: P = 2 GPa |
|
_database_code_amcsd 0006534 |
|
5.187 8.995 19.502 90 95.78 90 C2/c |
|
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 0 .0949 1/4 .90 2.1 |
|
Na 0 .0949 1/4 .07 2.1 |
|
Al .2489 .0834 -.0010 .80 .61 |
|
Fe .2489 .0834 -.0010 .11 .61 |
|
Mg .2489 .0834 -.0010 .08 .61 |
|
Ti .2489 .0834 -.0010 .01 .61 |
|
Si1 .4636 .9267 .1375 .80 .8 |
|
Al1 .4636 .9267 .1375 .20 .8 |
|
Si2 .4544 .2586 .1365 .80 1.2 |
|
Al2 .4544 .2586 .1365 .20 1.2 |
|
O1 .4284 .0934 .1717 1.20 |
|
O2 .2453 .8154 .1642 1.34 |
|
O3 .2475 .3663 .1746 1.48 |
|
O4 .4638 .9419 .0537 .69 |
|
O5 .3906 .2505 .0535 .82 |
|
O6 .4648 .5693 .0501 1.48 |
|
H .374 .661 .065 4.2 .0042 .0035 .0006 .0000 .0018 .0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nafertisite |
| |
Ferraris G, Ivaldi G, Khomyakov A P, Soboleva S V, Belluso E, Pavese A |
| |
European Journal of Mineralogy 8 (1996) 241-249 |
|
Nafertisite, a layer titanosilicate member of a polysomatic series including mica |
|
_database_code_amcsd 0006619 |
|
5.353 16.176 21.95 90 94.6 90 A2/m |
|
atom x y z occ Uiso |
|
Na1 1/2 0 0 .05 |
|
Na2 0 -.154 0 .5 .02 |
|
Na2' 0 -.279 0 .5 .02 |
|
Fe1 .242 .3994 -.2649 .8 .010 |
|
Fe2 .257 .8001 -.2453 .8 .016 |
|
Fe3 .258 0 -.2319 .8 .012 |
|
Ti -.036 0 -.0980 .005 |
|
Si1 .444 -.122 -.117 .073 |
|
Si2 .434 .312 -.133 .042 |
|
Si3 -.064 .408 -.136 .030 |
|
O1 .387 .301 -.206 .02 |
|
OH2 .390 1/2 -.223 .03 |
|
O3 .411 -.104 -.186 .01 |
|
O4 -.109 .404 -.207 .05 |
|
OH5 .104 .295 -.305 .02 |
|
O6 .075 1/2 -.328 .02 |
|
O7 .215 .362 -.109 .02 |
|
O8 .725 -.089 -.081 .01 |
|
O9 .247 .082 -.079 .06 |
|
O10 .455 .222 -.100 .01 |
|
O11 .752 .360 -.105 .05 |
|
O12 -.073 1/2 -.105 .03 |
|
O13 0 0 0 .00 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aluminoceladonite |
| |
Pavese A, Ferraris G, Prencipe M, Ibberson R |
| |
European Journal of Mineralogy 9 (1997) 1183-1190 |
|
Cation site ordering in phengite 3T from the Dora-Maira |
|
massif (western Alps): a variable-temperature neutron |
|
powder diffraction study |
|
Note: at T = 293 K |
|
Locality: Dora-Maira massif, western Alps |
|
_database_code_amcsd 0006704 |
|
5.21379 5.21379 29.7382 90 90 120 P3_112 |
|
atom x y z occ Uiso |
|
K .129 .258 1/6 .034 |
|
AlM2 .772 .886 0 .019 |
|
AlM3 .438 .219 0 .36 .033 |
|
MgM3 .438 .219 0 .64 .033 |
|
SiT1 .785 .577 .0894 .786 .021 |
|
AlT1 .785 .577 .0894 .214 .021 |
|
SiT2 .466 .920 .0910 .021 |
|
O1 .756 .569 .0353 .021 |
|
O2 .491 .934 .0368 .025 |
|
O3 .661 .781 .1123 .037 |
|
O4 .123 .712 .1073 .024 |
|
O5 .613 .252 .1140 .021 |
|
O6 .120 .197 .0357 .028 |
|
H .147 .387 .0379 .077 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phengite |
| |
Pavese A, Ferraris G, Prencipe M, Ibberson R |
| |
European Journal of Mineralogy 9 (1997) 1183-1190 |
|
Cation site ordering in phengite 3T from the Dora-Maira |
|
massif (western Alps): a variable-temperature neutron |
|
powder diffraction study |
|
Note: at T = 893 K |
|
Locality: Dora-Maira massif, western Alps |
|
_database_code_amcsd 0006705 |
|
5.23169 5.23169 30.1227 90 90 120 P3_112 |
|
atom x y z occ Uiso |
|
K .127 .253 1/6 .063 |
|
AlM2 .455 .227 0 .95 .012 |
|
MgM2 .455 .227 0 .05 .012 |
|
AlM3 .780 .890 0 .47 .044 |
|
MgM3 .780 .890 0 .53 .044 |
|
SiT1 .791 .583 .0922 .786 .016 |
|
AlT1 .791 .583 .0922 .214 .016 |
|
SiT2 .472 .923 .0868 .027 |
|
O1 .750 .565 .0342 .030 |
|
O2 .492 .929 .0378 .025 |
|
O3 .638 .763 .1115 .028 |
|
O4 .126 .734 .1064 .048 |
|
O5 .602 .240 .1129 .067 |
|
O6 .124 .199 .0351 .040 |
|
H .147 .387 .0379 .089 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phengite |
| |
Pavese A, Ferraris G, Pischedda V, Ibberson R |
| |
European Journal of Mineralogy 11 (1999) 309-320 |
|
Tetrahedral order in phengite 2M_1 upon heating, from powder |
|
neutron diffraction, and thermodynamic consequences |
|
Sample: T = 293 K |
|
Note: O5 z-coordinate altered. |
|
_database_code_amcsd 0006768 |
|
5.21397 9.0521 19.9968 90 95.736 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .0932 1/4 .94 .022 |
|
Na 0 .0932 1/4 .03 .022 |
|
AlM2 .2471 .0827 .0007 .835 .0252 |
|
MgM2 .2471 .0827 .0007 .02 .0252 |
|
FeM2 .2471 .0827 .0007 .17 .0252 |
|
SiT1 .4649 .9299 .1351 .79 .018 |
|
AlT1 .4649 .9299 .1351 .21 .018 |
|
SiT2 .4543 .2581 .1366 .83 .015 |
|
AlT2 .4543 .2581 .1366 .17 .015 |
|
O1 .4310 .0931 .1680 .0257 |
|
O2 .2415 .8180 .1599 .0358 |
|
O3 .2406 .3623 .1692 .031 |
|
O4 .4578 .9426 .0530 .026 |
|
O5 .3917 .2519 .0540 .0169 |
|
O6 .4604 .5645 .0511 .94 .026 |
|
F6 .4604 .5645 .0511 .06 .026 |
|
H .360 .652 .0569 .94 .079 .056 .083 .012 -.008 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phengite |
| |
Pavese A, Ferraris G, Pischedda V, Ibberson R |
| |
European Journal of Mineralogy 11 (1999) 309-320 |
|
Tetrahedral order in phengite 2M_1 upon heating, from powder |
|
neutron diffraction, and thermodynamic consequences |
|
Sample: T = 873 K |
|
_database_code_amcsd 0006769 |
|
5.23899 9.1048 20.2440 90 95.684 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .088 1/4 .94 .049 |
|
Na 0 .088 1/4 .03 .049 |
|
AlM2 .2495 .0811 .0020 .835 .0333 |
|
MgM2 .2495 .0811 .0020 .02 .0333 |
|
FeM2 .2495 .0811 .0020 .17 .0333 |
|
SiT1 .4643 .9277 .1336 .62 .025 |
|
AlT1 .4643 .9277 .1336 .38 .025 |
|
SiT2 .4501 .2615 .1350 .015 |
|
O1 .4516 .0952 .1676 .046 |
|
O2 .2317 .8228 .1586 .054 |
|
O3 .2326 .3534 .1688 .039 |
|
O4 .4644 .9421 .0537 .043 |
|
O5 .3943 .2530 .0546 .029 |
|
O6 .4573 .5642 .0485 .94 .047 |
|
F6 .4573 .5642 .0485 .06 .047 |
|
H .366 .6464 .0650 .94 .19 .054 .23 .011 .03 .046 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 10 K |
|
_database_code_amcsd 0007274 |
|
5.3187 9.2104 10.1967 90 100.148 90 C2/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) |
|
K 0 .5 0 .86 .013 |
|
Na 0 .5 0 .08 .013 |
|
Ba 0 .5 0 .04 .013 |
|
MgM1 0 0 .5 .59 .008 |
|
FeM1 0 0 .5 .23 .008 |
|
AlM1 0 0 .5 .17 .008 |
|
MnM1 0 0 .5 .01 .008 |
|
MgM2 0 .3329 .5 .69 .006 |
|
FeM2 0 .3329 .5 .22 .006 |
|
TiM2 0 .3329 .5 .09 .006 |
|
SiT .070 .1669 .2239 .68 .0102 |
|
AlT .070 .1669 .2239 .32 .0102 |
|
O1 .329 .2213 .1683 .019 |
|
O2 .001 0 .1673 .018 |
|
O3 .1318 .1667 .3903 .0132 |
|
O4 .130 .5 .3995 .94 .0161 |
|
F4 .130 .5 .3995 .06 .0161 |
|
H .099 .527 .315 .30 .040 .034 .05 .033 .013 -.019 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 298 K, neutron |
|
_database_code_amcsd 0007275 |
|
5.3291 9.2281 10.2279 90 100.078 90 C2/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) |
|
K 0 .5 0 .86 .042 |
|
Na 0 .5 0 .08 .042 |
|
Ba 0 .5 0 .04 .042 |
|
MgM1 0 0 .5 .59 .011 |
|
FeM1 0 0 .5 .23 .011 |
|
AlM1 0 0 .5 .17 .011 |
|
MnM1 0 0 .5 .01 .011 |
|
MgM2 0 .3331 .5 .69 .012 |
|
FeM2 0 .3331 .5 .22 .012 |
|
TiM2 0 .3331 .5 .09 .012 |
|
SiT .072 .1681 .2247 .68 .0143 |
|
AlT .072 .1681 .2247 .32 .0143 |
|
O1 .327 .2253 .1663 .025 |
|
O2 .008 0 .171 .024 |
|
O3 .131 .1664 .3908 .015 |
|
O4 .129 .5 .3995 .94 .016 |
|
F4 .129 .5 .3995 .06 .016 |
|
H .100 .529 .320 .30 .05 .03 .05 .05 -.01 -.02 .01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 673 K, neutron |
|
_database_code_amcsd 0007276 |
|
5.3582 9.2816 10.2972 90 100.157 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .076 |
|
Na 0 .5 0 .08 .076 |
|
Ba 0 .5 0 .04 .076 |
|
MgM1 0 0 .5 .59 .015 |
|
FeM1 0 0 .5 .23 .015 |
|
AlM1 0 0 .5 .17 .015 |
|
MnM1 0 0 .5 .01 .015 |
|
MgM2 0 .3332 .5 .69 .020 |
|
FeM2 0 .3332 .5 .22 .020 |
|
TiM2 0 .3332 .5 .09 .020 |
|
SiT .071 .1664 .2253 .68 .0194 |
|
AlT .071 .1664 .2253 .32 .0194 |
|
O1 .319 .2332 .1688 .039 |
|
O2 .027 0 .168 .051 |
|
O3 .132 .1663 .3915 .026 |
|
O4 .127 .5 .3991 .94 .035 |
|
F4 .127 .5 .3991 .06 .035 |
|
H .084 .540 .322 .30 .13 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 873 K, neutron |
|
_database_code_amcsd 0007277 |
|
5.3729 9.3057 10.3469 90 100.148 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .090 |
|
Na 0 .5 0 .08 .090 |
|
Ba 0 .5 0 .04 .090 |
|
MgM1 0 0 .5 .59 .022 |
|
FeM1 0 0 .5 .23 .022 |
|
AlM1 0 0 .5 .17 .022 |
|
MnM1 0 0 .5 .01 .022 |
|
MgM2 0 .3337 .5 .69 .023 |
|
FeM2 0 .3337 .5 .22 .023 |
|
TiM2 0 .3337 .5 .09 .023 |
|
SiT .069 .166 .2272 .68 .023 |
|
AlT .069 .166 .2272 .32 .023 |
|
O1 .314 .2365 .1715 .041 |
|
O2 .041 0 .168 .065 |
|
O3 .131 .1667 .3918 .030 |
|
O4 .128 .5 .4003 .94 .039 |
|
F4 .128 .5 .4003 .06 .039 |
|
H .086 .542 .324 .30 .16 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 298 K, X-Ray |
|
_database_code_amcsd 0007278 |
|
5.3305 9.2301 10.2241 90 100.018 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .0247 |
|
Na 0 .5 0 .08 .0247 |
|
Ba 0 .5 0 .04 .0247 |
|
MgM1 0 0 .5 .59 .0053 |
|
FeM1 0 0 .5 .23 .0053 |
|
AlM1 0 0 .5 .17 .0053 |
|
MnM1 0 0 .5 .01 .0053 |
|
MgM2 0 .3347 .5 .69 .0089 |
|
FeM2 0 .3347 .5 .22 .0089 |
|
TiM2 0 .3347 .5 .09 .0089 |
|
SiT .078 .1661 .2254 .68 .0093 |
|
AlT .078 .1661 .2254 .32 .0093 |
|
O1 .331 .2279 .1668 .0264 |
|
O2 .010 0 .1647 .0204 |
|
O3 .131 .1676 .3920 .0113 |
|
O4 .133 .5 .3977 .34 .0164 |
|
OH4 .133 .5 .3977 .60 .0164 |
|
F4 .133 .5 .3977 .06 .0164 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 0.0001 GPa |
|
_database_code_amcsd 0007912 |
|
3.14979 3.14979 4.7702 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 .43 |
|
O 1/3 2/3 .2203 .42 |
|
H 1/3 2/3 .4130 .11121 .11121 .00901 .055605 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 7.8 GPa |
|
_database_code_amcsd 0007913 |
|
3.0698 3.0698 4.429 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 1.0 |
|
O 1/3 2/3 .2357 .61 |
|
H 1/3 2/3 .4415 .09904 .09904 .04461 .04952 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 10.9 GPa |
|
_database_code_amcsd 0007914 |
|
3.0467 3.0467 4.3554 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 .05 |
|
O 1/3 2/3 .2470 .18 |
|
H 1/3 2/3 .4480 .10773 .10773 .01450 .053865 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 10.9 GPa, split H site |
|
_database_code_amcsd 0007915 |
|
3.0464 3.0464 4.3553 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
Mg 0 0 0 .01 |
|
O 1/3 2/3 .2473 .18 |
|
H .3371 .6742 .4474 1/3 .7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008209 |
|
8.0670 8.0670 8.0670 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0115 |
|
MgT 1/8 1/8 1/8 .5881 .0115 |
|
AlT 1/8 1/8 1/8 .0819 .0115 |
|
MgM 1/2 1/2 1/2 .0558 .0081 |
|
AlM 1/2 1/2 1/2 .9445 .0081 |
|
O .2598 .2598 .2598 .0130 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 523 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008210 |
|
8.0811 8.0811 8.0811 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0149 |
|
MgT 1/8 1/8 1/8 .5857 .0149 |
|
AlT 1/8 1/8 1/8 .0843 .0149 |
|
MgM 1/2 1/2 1/2 .0570 .0116 |
|
AlM 1/2 1/2 1/2 .9433 .0116 |
|
O .2598 .2598 .2598 .0157 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 773 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008211 |
|
8.0973 8.0973 8.0973 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0185 |
|
MgT 1/8 1/8 1/8 .5845 .0185 |
|
AlT 1/8 1/8 1/8 .0855 .0185 |
|
MgM 1/2 1/2 1/2 .0575 .0147 |
|
AlM 1/2 1/2 1/2 .9427 .0147 |
|
O .2597 .2597 .2597 .0188 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 973 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008212 |
|
8.1115 8.1115 8.1115 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0209 |
|
MgT 1/8 1/8 1/8 .1483 .0209 |
|
AlT 1/8 1/8 1/8 .6217 .0209 |
|
MgM 1/2 1/2 1/2 .2763 .0175 |
|
AlM 1/2 1/2 1/2 .6737 .0175 |
|
O .2595 .2595 .2595 .0213 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1123 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008213 |
|
8.1256 8.1256 8.1256 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0239 |
|
MgT 1/8 1/8 1/8 .1481 .0239 |
|
AlT 1/8 1/8 1/8 .6219 .0239 |
|
MgM 1/2 1/2 1/2 .2764 .0188 |
|
AlM 1/2 1/2 1/2 .6737 .0188 |
|
O .2595 .2595 .2595 .0239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1273 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008214 |
|
8.1437 8.1437 8.1437 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0252 |
|
MgT 1/8 1/8 1/8 .1499 .0252 |
|
AlT 1/8 1/8 1/8 .6201 .0252 |
|
MgM 1/2 1/2 1/2 .2756 .0206 |
|
AlM 1/2 1/2 1/2 .6744 .0206 |
|
O .2597 .2597 .2597 .0262 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1423 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008215 |
|
8.1612 8.1612 8.1612 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0284 |
|
MgT 1/8 1/8 1/8 .1528 .0284 |
|
AlT 1/8 1/8 1/8 .6172 .0284 |
|
MgM 1/2 1/2 1/2 .2742 .0220 |
|
AlM 1/2 1/2 1/2 .6757 .0220 |
|
O .2598 .2598 .2598 .0291 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1573 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008216 |
|
8.1768 8.1768 8.1768 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0313 |
|
MgT 1/8 1/8 1/8 .1524 .0313 |
|
AlT 1/8 1/8 1/8 .6176 .0313 |
|
MgM 1/2 1/2 1/2 .2745 .0230 |
|
AlM 1/2 1/2 1/2 .6755 .0230 |
|
O .2599 .2599 .2599 .0326 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1723 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008217 |
|
8.1907 8.1907 8.1907 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0341 |
|
MgT 1/8 1/8 1/8 .1530 .0341 |
|
AlT 1/8 1/8 1/8 .6170 .0341 |
|
MgM 1/2 1/2 1/2 .2742 .0240 |
|
AlM 1/2 1/2 1/2 .6758 .0240 |
|
O .2602 .2602 .2602 .0353 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 0.0 GPa |
|
_database_code_amcsd 0008475 |
|
8.4412 8.4412 8.4412 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2605 .2605 .2605 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 1.8 GPa |
|
_database_code_amcsd 0008476 |
|
8.4129 8.4129 8.4129 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2593 .2593 .2593 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 4.6 GPa |
|
_database_code_amcsd 0008477 |
|
8.3731 8.3731 8.3731 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2574 .2574 .2574 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 5.5 GPa |
|
_database_code_amcsd 0008478 |
|
8.3603 8.3603 8.3603 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2567 .2567 .2567 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 6.8 GPa |
|
_database_code_amcsd 0008479 |
|
8.3470 8.3470 8.3470 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2535 .2535 .2535 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 9.0 GPa |
|
_database_code_amcsd 0008480 |
|
8.3177 8.3177 8.3177 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2523 .2523 .2523 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 10.2 GPa |
|
_database_code_amcsd 0008481 |
|
8.3069 8.3069 8.3069 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2529 .2529 .2529 |
|
|
| 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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