|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
 |
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: untreated DISS3 |
|
_database_code_amcsd 0003995 |
|
8.959 5.7226 10.232 90 115.19 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) |
|
CaA1 .75710 .75 .15068 .792 .0205 .0302 .01717 .02021 0 .01661 0 |
|
ThA1 .75710 .75 .15068 .090 .0205 .0302 .01717 .02021 0 .01661 0 |
|
FeA1 .75710 .75 .15068 .053 .0205 .0302 .01717 .02021 0 .01661 0 |
|
LaA1 .75710 .75 .15068 .050 .0205 .0302 .01717 .02021 0 .01661 0 |
|
MnA1 .75710 .75 .15068 .009 .0205 .0302 .01717 .02021 0 .01661 0 |
|
UA1 .75710 .75 .15068 .003 .0205 .0302 .01717 .02021 0 .01661 0 |
|
NaA1 .75710 .75 .15068 .002 .0205 .0302 .01717 .02021 0 .01661 0 |
|
ErA1 .75710 .75 .15068 .001 .0205 .0302 .01717 .02021 0 .01661 0 |
|
CaA2 .59801 .75 .42706 .403 .0213 .01874 .02646 .01607 0 .00485 0 |
|
LaA2 .59801 .75 .42706 .265 .0213 .01874 .02646 .01607 0 .00485 0 |
|
CeA2 .59801 .75 .42706 .262 .0213 .01874 .02646 .01607 0 .00485 0 |
|
NdA2 .59801 .75 .42706 .038 .0213 .01874 .02646 .01607 0 .00485 0 |
|
PrA2 .59801 .75 .42706 .019 .0213 .01874 .02646 .01607 0 .00485 0 |
|
SrA2 .59801 .75 .42706 .010 .0213 .01874 .02646 .01607 0 .00485 0 |
|
SmA2 .59801 .75 .42706 .002 .0213 .01874 .02646 .01607 0 .00485 0 |
|
GdA2 .59801 .75 .42706 .001 .0213 .01874 .02646 .01607 0 .00485 0 |
|
AlM1 0 0 0 .813 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
CrM1 0 0 0 .148 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
TiM1 0 0 0 .030 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
VM1 0 0 0 .008 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
ScM1 0 0 0 .002 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
GaM1 0 0 0 .001 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
|
AlM2 0 0 .5 .948 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
|
FeM2 0 0 .5 .052 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
|
MgM3 .2989 .25 .2178 .622 .0177 .01641 .01337 .01556 0 -.00068 0 |
|
FeM3 .2989 .25 .2178 .299 .0177 .01641 .01337 .01556 0 -.00068 0 |
|
AlM3 .2989 .25 .2178 .054 .0177 .01641 .01337 .01556 0 -.00068 0 |
|
ZnM3 .2989 .25 .2178 .015 .0177 .01641 .01337 .01556 0 -.00068 0 |
|
NiM3 .2989 .25 .2178 .010 .0177 .01641 .01337 .01556 0 -.00068 0 |
|
Si1 .3376 .75 .0403 .990 .0113 .01169 .0102 .01094 0 .00378 0 |
|
Al1 .3376 .75 .0403 .007 .0113 .01169 .0102 .01094 0 .00378 0 |
|
P1 .3376 .75 .0403 .003 .0113 .01169 .0102 .01094 0 .00378 0 |
|
Si2 .6843 .25 .2764 .990 .0131 .01419 .01087 .01413 0 .00603 0 |
|
Al2 .6843 .25 .2764 .007 .0131 .01419 .01087 .01413 0 .00603 0 |
|
P2 .6843 .25 .2764 .003 .0131 .01419 .01087 .01413 0 .00603 0 |
|
Si3 .1859 .75 .3203 .990 .0105 .00982 .01227 .01024 0 .00518 0 |
|
Al3 .1859 .75 .3203 .007 .0105 .00982 .01227 .01024 0 .00518 0 |
|
P3 .1859 .75 .3203 .003 .0105 .00982 .01227 .01024 0 .00518 0 |
|
O1 .2334 .9910 .0322 .0201 .01485 .01519 .03112 .00298 .01072 .00404 |
|
O2 .3084 .9771 .3596 .0193 .0207 .02209 .01697 -.00789 .00972 -.0041 |
|
O3 .7935 .0144 .3373 .0229 .02259 .01304 .02262 .00164 -.00036 -.00212 |
|
O4 .0560 .25 .1292 .0159 .01544 .01516 .01551 0 .00497 0 |
|
O5 .0456 .75 .1475 .0140 .01496 .01661 .00959 0 .00433 0 |
|
O6 .0684 .75 .4084 .0166 .0215 .01537 .01895 0 .01438 0 |
|
O7 .5110 .75 .1780 .0222 .01817 .02273 .0165 0 -.00136 0 |
|
O8 .5331 .25 .3189 .0364 .03153 .04471 .04224 0 .02456 0 |
|
O9 .6188 .25 .1006 .0314 .03736 .04419 .01715 0 .01596 0 |
|
O10 .0843 .25 .4306 .0178 .01781 .01461 .02443 0 .01245 0 |
|
H .159 .25 .305 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: DISS3 annealed 700 C for 3 hours |
|
_database_code_amcsd 0003996 |
|
8.931 5.699 10.182 90 115.16 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) |
|
CaA1 .75676 .75 .15098 .792 .01441 .0219 .01197 .01385 0 .01192 0 |
|
ThA1 .75676 .75 .15098 .090 .01441 .0219 .01197 .01385 0 .01192 0 |
|
FeA1 .75676 .75 .15098 .053 .01441 .0219 .01197 .01385 0 .01192 0 |
|
LaA1 .75676 .75 .15098 .050 .01441 .0219 .01197 .01385 0 .01192 0 |
|
MnA1 .75676 .75 .15098 .009 .01441 .0219 .01197 .01385 0 .01192 0 |
|
UA1 .75676 .75 .15098 .003 .01441 .0219 .01197 .01385 0 .01192 0 |
|
NaA1 .75676 .75 .15098 .002 .01441 .0219 .01197 .01385 0 .01192 0 |
|
ErA1 .75676 .75 .15098 .001 .01441 .0219 .01197 .01385 0 .01192 0 |
|
CaA2 .59815 .75 .42772 .403 .01512 .01314 .01802 .01193 0 .00314 0 |
|
LaA2 .59815 .75 .42772 .265 .01512 .01314 .01802 .01193 0 .00314 0 |
|
CeA2 .59815 .75 .42772 .262 .01512 .01314 .01802 .01193 0 .00314 0 |
|
NdA2 .59815 .75 .42772 .038 .01512 .01314 .01802 .01193 0 .00314 0 |
|
PrA2 .59815 .75 .42772 .019 .01512 .01314 .01802 .01193 0 .00314 0 |
|
SrA2 .59815 .75 .42772 .010 .01512 .01314 .01802 .01193 0 .00314 0 |
|
SmA2 .59815 .75 .42772 .002 .01512 .01314 .01802 .01193 0 .00314 0 |
|
GdA2 .59815 .75 .42772 .001 .01512 .01314 .01802 .01193 0 .00314 0 |
|
AlM1 0 0 0 .813 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
CrM1 0 0 0 .148 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
TiM1 0 0 0 .030 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
VM1 0 0 0 .008 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
ScM1 0 0 0 .002 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
GaM1 0 0 0 .001 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
|
AlM2 0 0 .5 .948 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
|
FeM2 0 0 .5 .052 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
|
MgM3 .29705 .25 .21835 .622 .01147 .00976 .00772 .01071 0 -.00164 0 |
|
FeM3 .29705 .25 .21835 .299 .01147 .00976 .00772 .01071 0 -.00164 0 |
|
AlM3 .29705 .25 .21835 .054 .01147 .00976 .00772 .01071 0 -.00164 0 |
|
ZnM3 .29705 .25 .21835 .015 .01147 .00976 .00772 .01071 0 -.00164 0 |
|
NiM3 .29705 .25 .21835 .010 .01147 .00976 .00772 .01071 0 -.00164 0 |
|
Si1 .33785 .75 .04123 .990 .00789 .00779 .00657 .00817 0 .00227 0 |
|
Al1 .33785 .75 .04123 .007 .00789 .00779 .00657 .00817 0 .00227 0 |
|
P1 .33785 .75 .04123 .003 .00789 .00779 .00657 .00817 0 .00227 0 |
|
Si2 .68312 .25 .27672 .990 .00891 .01004 .0074 .00968 0 .00459 0 |
|
Al2 .68312 .25 .27672 .007 .00891 .01004 .0074 .00968 0 .00459 0 |
|
P2 .68312 .25 .27672 .003 .00891 .01004 .0074 .00968 0 .00459 0 |
|
Si3 .1859 .75 .32015 .990 .00693 .0067 .00799 .00644 0 .00312 0 |
|
Al3 .1859 .75 .32015 .007 .00693 .0067 .00799 .00644 0 .00312 0 |
|
P3 .1859 .75 .32015 .003 .00693 .0067 .00799 .00644 0 .00312 0 |
|
O1 .23395 .99227 .03345 .01446 .01058 .00993 .02286 .00204 .0071 .00269 |
|
O2 .30815 .9775 .35892 .01408 .01486 .01609 .01226 -.00611 .00671 -.00397 |
|
O3 .7928 .01355 .33786 .01681 .01576 .00879 .01748 .00062 -.00103 -.00169 |
|
O4 .05441 .25 .12967 .01137 .01087 .01073 .01136 0 .00362 0 |
|
O5 .04534 .75 .14737 .0097 .00826 .0112 .00781 0 .00165 0 |
|
O6 .06627 .75 .40663 .01269 .01582 .01211 .0152 0 .01147 0 |
|
O7 .51268 .75 .17843 .01612 .01234 .01625 .01292 0 -.00124 0 |
|
O8 .5318 .25 .3199 .02888 .02711 .03586 .03543 0 .02461 0 |
|
O9 .61971 .25 .10057 .0265 .03222 .03909 .01193 0 .01299 0 |
|
O10 .08335 .25 .42807 .01243 .01196 .01146 .01549 0 .00741 0 |
|
H .154 .25 .305 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: DISS3 annealed 700 C for 18 (3+15) hours |
|
_database_code_amcsd 0003997 |
|
8.934 5.6939 10.180 90 115.153 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) |
|
CaA1 .75687 .75 .15098 .792 .01401 .02087 .01221 .01304 0 .01115 0 |
|
ThA1 .75687 .75 .15098 .090 .01401 .02087 .01221 .01304 0 .01115 0 |
|
FeA1 .75687 .75 .15098 .053 .01401 .02087 .01221 .01304 0 .01115 0 |
|
LaA1 .75687 .75 .15098 .050 .01401 .02087 .01221 .01304 0 .01115 0 |
|
MnA1 .75687 .75 .15098 .009 .01401 .02087 .01221 .01304 0 .01115 0 |
|
UA1 .75687 .75 .15098 .003 .01401 .02087 .01221 .01304 0 .01115 0 |
|
NaA1 .75687 .75 .15098 .002 .01401 .02087 .01221 .01304 0 .01115 0 |
|
ErA1 .75687 .75 .15098 .001 .01401 .02087 .01221 .01304 0 .01115 0 |
|
CaA2 .59811 .75 .42772 .403 .01472 .01262 .01781 .01125 0 .0027 0 |
|
LaA2 .59811 .75 .42772 .265 .01472 .01262 .01781 .01125 0 .0027 0 |
|
CeA2 .59811 .75 .42772 .262 .01472 .01262 .01781 .01125 0 .0027 0 |
|
NdA2 .59811 .75 .42772 .038 .01472 .01262 .01781 .01125 0 .0027 0 |
|
PrA2 .59811 .75 .42772 .019 .01472 .01262 .01781 .01125 0 .0027 0 |
|
SrA2 .59811 .75 .42772 .010 .01472 .01262 .01781 .01125 0 .0027 0 |
|
SmA2 .59811 .75 .42772 .002 .01472 .01262 .01781 .01125 0 .0027 0 |
|
GdA2 .59811 .75 .42772 .001 .01472 .01262 .01781 .01125 0 .0027 0 |
|
AlM1 0 0 0 .813 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
CrM1 0 0 0 .148 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
TiM1 0 0 0 .030 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
VM1 0 0 0 .008 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
ScM1 0 0 0 .002 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
GaM1 0 0 0 .001 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
|
AlM2 0 0 .5 .948 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
|
FeM2 0 0 .5 .052 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
|
MgM3 .29668 .25 .21849 .622 .01028 .0085 .0077 .00913 0 -.00156 0 |
|
FeM3 .29668 .25 .21849 .299 .01028 .0085 .0077 .00913 0 -.00156 0 |
|
AlM3 .29668 .25 .21849 .054 .01028 .0085 .0077 .00913 0 -.00156 0 |
|
ZnM3 .29668 .25 .21849 .015 .01028 .0085 .0077 .00913 0 -.00156 0 |
|
NiM3 .29668 .25 .21849 .010 .01028 .0085 .0077 .00913 0 -.00156 0 |
|
Si1 .33797 .75 .04138 .990 .00747 .00703 .00667 .00735 0 .00174 0 |
|
Al1 .33797 .75 .04138 .007 .00747 .00703 .00667 .00735 0 .00174 0 |
|
P1 .33797 .75 .04138 .003 .00747 .00703 .00667 .00735 0 .00174 0 |
|
Si2 .68326 .25 .27692 .990 .00848 .00924 .00753 .00885 0 .00402 0 |
|
Al2 .68326 .25 .27692 .007 .00848 .00924 .00753 .00885 0 .00402 0 |
|
P2 .68326 .25 .27692 .003 .00848 .00924 .00753 .00885 0 .00402 0 |
|
Si3 .18599 .75 .32023 .990 .00679 .00619 .00818 .00624 0 .00288 0 |
|
Al3 .18599 .75 .32023 .007 .00679 .00619 .00818 .00624 0 .00288 0 |
|
P3 .18599 .75 .32023 .003 .00679 .00619 .00818 .00624 0 .00288 0 |
|
O1 .23425 .99205 .03383 .01396 .01053 .01019 .02062 .00192 .0061 .00234 |
|
O2 .30827 .97703 .35893 .01365 .014 .01617 .01158 -.00561 .00622 -.00331 |
|
O3 .79292 .01358 .3381 .01601 .01398 .00825 .01704 .00079 -.00185 -.00114 |
|
O4 .05402 .25 .12943 .011 .00917 .01116 .01107 0 .00275 0 |
|
O5 .04522 .75 .14761 .00944 .00819 .01072 .00718 0 .00111 0 |
|
O6 .06646 .75 .4068 .01226 .01447 .01176 .01507 0 .01064 0 |
|
O7 .51249 .75 .1782 .0159 .01158 .01717 .01226 0 -.00139 0 |
|
O8 .53169 .25 .3199 .02821 .02525 .03662 .0332 0 .02247 0 |
|
O9 .62027 .25 .10062 .02606 .03107 .03781 .01264 0 .01249 0 |
|
O10 .08357 .25 .42827 .01198 .01074 .01186 .014 0 .0059 0 |
|
H .156 .25 .303 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
 |
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample HO19 |
|
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain |
|
_database_code_amcsd 0004917 |
|
8.1584 8.1584 8.1584 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .75 .00781 |
|
Fe3+T .125 .125 .125 .01 .00781 |
|
AlT .125 .125 .125 .17 .00781 |
|
MgT .125 .125 .125 .05 .00781 |
|
AlM .5 .5 .5 .897 .00627 |
|
Fe2+M .5 .5 .5 .046 .00627 |
|
MgM .5 .5 .5 .044 .00627 |
|
Fe3+M .5 .5 .5 .013 .00627 |
|
O .26371 .26371 .26371 .0119 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample AVMa8.9 |
|
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain |
|
_database_code_amcsd 0004918 |
|
8.1511 8.1511 8.1511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .77 .00734 |
|
Fe3+T .125 .125 .125 .01 .00734 |
|
AlT .125 .125 .125 .16 .00734 |
|
MgT .125 .125 .125 .04 .00734 |
|
AlM .5 .5 .5 .894 .00549 |
|
Fe2+M .5 .5 .5 .051 .00549 |
|
MgM .5 .5 .5 .038 .00549 |
|
Fe3+M .5 .5 .5 .021 .00549 |
|
O .26393 .26393 .26393 .01082 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample AVHz20 |
|
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain |
|
_database_code_amcsd 0004919 |
|
8.1517 8.1517 8.1517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .77 .00732 |
|
Fe3+T .125 .125 .125 .02 .00732 |
|
AlT .125 .125 .125 .14 .00732 |
|
MgT .125 .125 .125 .06 .00732 |
|
AlM .5 .5 .5 .883 .00506 |
|
Fe2+M .5 .5 .5 .044 .00506 |
|
MgM .5 .5 .5 .043 .00506 |
|
Fe3+M .5 .5 .5 .028 .00506 |
|
TiM .5 .5 .5 .002 .00506 |
|
O .26405 .26405 .26405 .0105 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample HO15 |
|
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain |
|
_database_code_amcsd 0004920 |
|
8.1504 8.1504 8.1504 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .73 .00771 |
|
Fe3+T .125 .125 .125 .02 .00771 |
|
AlT .125 .125 .125 .18 .00771 |
|
MgT .125 .125 .125 .06 .00771 |
|
AlM .5 .5 .5 .875 .00584 |
|
Fe2+M .5 .5 .5 .059 .00584 |
|
MgM .5 .5 .5 .045 .00584 |
|
Fe3+M .5 .5 .5 .015 .00584 |
|
TiM .5 .5 .5 .003 .00584 |
|
MnM .5 .5 .5 .003 .00584 |
|
O .26352 .26352 .26352 .0123 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample HO27BC |
|
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain |
|
_database_code_amcsd 0004921 |
|
8.1474 8.1474 8.1474 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .74 .00723 |
|
Fe3+T .125 .125 .125 .02 .00723 |
|
AlT .125 .125 .125 .16 .00723 |
|
MgT .125 .125 .125 .07 .00723 |
|
AlM .5 .5 .5 .881 .00504 |
|
Fe2+M .5 .5 .5 .046 .00504 |
|
MgM .5 .5 .5 .047 .00504 |
|
Fe3+M .5 .5 .5 .020 .00504 |
|
TiM .5 .5 .5 .002 .00504 |
|
MnM .5 .5 .5 .003 .00504 |
|
ZnM .5 .5 .5 .001 .00504 |
|
O .26385 .26385 .26385 .0106 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample 441A |
|
Locality: the Anga metamorphic complex, Lake Baikal, Russia |
|
_database_code_amcsd 0004922 |
|
8.1460 8.1460 8.1460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .77 .00633 |
|
Fe3+T .125 .125 .125 .01 .00633 |
|
AlT .125 .125 .125 .11 .00633 |
|
MgT .125 .125 .125 .10 .00633 |
|
AlM .5 .5 .5 .928 .0044 |
|
Fe2+M .5 .5 .5 .019 .0044 |
|
MgM .5 .5 .5 .045 .0044 |
|
Fe3+M .5 .5 .5 .011 .0044 |
|
O .26471 .26471 .26471 .0071 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
| |
American Mineralogist 94 (2009) 657-665 |
|
Closure temperatures of intracrystalline ordering in anatectic and metamorphic |
|
hercynite, Fe2+Al2O4 |
|
Note: Sample 441B |
|
Locality: the Anga metamorphic complex, Lake Baikal, Russia |
|
_database_code_amcsd 0004923 |
|
8.1451 8.1451 8.1451 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe2+T .125 .125 .125 .76 .00582 |
|
Fe3+T .125 .125 .125 .02 .00582 |
|
AlT .125 .125 .125 .11 .00582 |
|
MgT .125 .125 .125 .11 .00582 |
|
AlM .5 .5 .5 .917 .00411 |
|
Fe2+M .5 .5 .5 .013 .00411 |
|
MgM .5 .5 .5 .048 .00411 |
|
Fe3+M .5 .5 .5 .016 .00411 |
|
TiM .5 .5 .5 .004 .00411 |
|
VM .5 .5 .5 .002 .00411 |
|
O .26464 .26464 .26464 .00724 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2B |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006982 |
|
8.0903 8.0903 8.0903 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .132 .0402 |
|
MgT .125 .125 .125 .863 .0402 |
|
ZnT .125 .125 .125 .004 .0402 |
|
AlM .5 .5 .5 .922 .0325 |
|
MgM .5 .5 .5 .0655 .0325 |
|
CrM .5 .5 .5 .0125 .0325 |
|
O .26346 .26346 .26346 .0445 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2F |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006983 |
|
8.0940 8.0940 8.0940 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .131 .0390 |
|
MgT .125 .125 .125 .862 .0390 |
|
ZnT .125 .125 .125 .007 .0390 |
|
AlM .5 .5 .5 .9045 .0337 |
|
MgM .5 .5 .5 .064 .0337 |
|
CrM .5 .5 .5 .031 .0337 |
|
O .26341 .26341 .26341 .0452 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2G |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006984 |
|
8.0981 8.0981 8.0981 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .126 .0435 |
|
MgT .125 .125 .125 .868 .0435 |
|
ZnT .125 .125 .125 .006 .0435 |
|
AlM .5 .5 .5 .8945 .0371 |
|
MgM .5 .5 .5 .062 .0371 |
|
CrM .5 .5 .5 .0435 .0371 |
|
O .26342 .26342 .26342 .0458 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2C |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006985 |
|
8.102 8.102 8.102 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .126 .0436 |
|
MgT .125 .125 .125 .868 .0436 |
|
ZnT .125 .125 .125 .005 .0436 |
|
AlM .5 .5 .5 .877 .0373 |
|
MgM .5 .5 .5 .0625 .0373 |
|
CrM .5 .5 .5 .06 .0373 |
|
O .26334 .26334 .26334 .0475 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2I |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006986 |
|
8.1044 8.1044 8.1044 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .122 .0417 |
|
MgT .125 .125 .125 .87 .0417 |
|
ZnT .125 .125 .125 .008 .0417 |
|
AlM .5 .5 .5 .873 .0362 |
|
MgM .5 .5 .5 .06 .0362 |
|
CrM .5 .5 .5 .0665 .0362 |
|
O .26337 .26337 .26337 .0448 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2L |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006987 |
|
8.1091 8.1091 8.1091 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .122 .0382 |
|
MgT .125 .125 .125 .869 .0382 |
|
ZnT .125 .125 .125 .009 .0382 |
|
AlM .5 .5 .5 .8565 .0340 |
|
MgM .5 .5 .5 .061 .0340 |
|
CrM .5 .5 .5 .083 .0340 |
|
O .26328 .26328 .26328 .0471 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Lavina B, Koneva A, Della Giusta A |
| |
European Journal of Mineralogy 15 (2003) 435-441 |
|
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel |
|
from the Olkhon metamorphic complex, Russia |
|
Sample: T4-2E |
|
Locality: Olkhon metamorphic complex, Russia |
|
_database_code_amcsd 0006988 |
|
8.1172 8.1172 8.1172 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlT .125 .125 .125 .114 .0412 |
|
MgT .125 .125 .125 .88 .0412 |
|
ZnT .125 .125 .125 .006 .0412 |
|
AlM .5 .5 .5 .8295 .0352 |
|
MgM .5 .5 .5 .054 .0352 |
|
CrM .5 .5 .5 .116 .0352 |
|
O .26333 .26333 .26333 .0466 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL2a |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008848 |
|
8.3367 8.3367 8.3367 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .990 .0048 |
|
Fe2+ .125 .125 .125 .005 .0048 |
|
Zn .125 .125 .125 .007 .0048 |
|
Al .5 .5 .5 .027 .0036 |
|
V .5 .5 .5 .071 .0036 |
|
Cr .5 .5 .5 .902 .0036 |
|
O .2611 .2611 .2611 .0049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL2d |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008849 |
|
8.3431 8.3431 8.3431 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .0059 |
|
Fe2+ .125 .125 .125 .003 .0059 |
|
Mn2+ .125 .125 .125 .002 .0059 |
|
Zn .125 .125 .125 .008 .0059 |
|
Al .5 .5 .5 .039 .0047 |
|
V .5 .5 .5 .075 .0047 |
|
Cr .5 .5 .5 .854 .0047 |
|
O .26123 .26123 .26123 .0054 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL2c |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008850 |
|
8.3334 8.3334 8.3334 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0051 |
|
Fe2+ .125 .125 .125 .002 .0051 |
|
Zn .125 .125 .125 .006 .0051 |
|
Al .5 .5 .5 .032 .0051 |
|
V .5 .5 .5 .095 .0051 |
|
Cr .5 .5 .5 .875 .0051 |
|
O .2614 .2614 .2614 .0052 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL2b |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008851 |
|
8.3369 8.3369 8.3369 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .97 .0081 |
|
Fe2+ .125 .125 .125 .003 .0081 |
|
Mn2+ .125 .125 .125 .002 .0081 |
|
Zn .125 .125 .125 .005 .0081 |
|
Al .5 .5 .5 .039 .0074 |
|
V .5 .5 .5 .13 .0074 |
|
Cr .5 .5 .5 .835 .0074 |
|
O .2613 .2613 .2613 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1r |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008852 |
|
8.3584 8.3584 8.3584 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0058 |
|
Fe2+ .125 .125 .125 .009 .0058 |
|
Mn2+ .125 .125 .125 .003 .0058 |
|
Zn .125 .125 .125 .005 .0058 |
|
Al .5 .5 .5 .014 .0046 |
|
V .5 .5 .5 .256 .0046 |
|
Cr .5 .5 .5 .73 .0046 |
|
O .26091 .26091 .26091 .0060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1p |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008853 |
|
8.3479 8.3479 8.3479 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .979 .0060 |
|
Fe2+ .125 .125 .125 .018 .0060 |
|
Mn2+ .125 .125 .125 .004 .0060 |
|
Zn .125 .125 .125 .005 .0060 |
|
Al .5 .5 .5 .045 .0047 |
|
V .5 .5 .5 .262 .0047 |
|
Cr .5 .5 .5 .69 .0047 |
|
O .26117 .26117 .26117 .00618 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1a |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008854 |
|
8.3613 8.3613 8.3613 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0048 |
|
Fe2+ .125 .125 .125 .010 .0048 |
|
Mn2+ .125 .125 .125 .003 .0048 |
|
Zn .125 .125 .125 .005 .0048 |
|
Al .5 .5 .5 .043 .0038 |
|
V .5 .5 .5 .275 .0038 |
|
Cr .5 .5 .5 .68 .0038 |
|
O .26092 .26092 .26092 .0052 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1b |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008855 |
|
8.3511 8.3511 8.3511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .987 .0042 |
|
Fe2+ .125 .125 .125 .010 .0042 |
|
Mn2+ .125 .125 .125 .003 .0042 |
|
Zn .125 .125 .125 .005 .0042 |
|
Al .5 .5 .5 .045 .0031 |
|
V .5 .5 .5 .276 .0031 |
|
Cr .5 .5 .5 .68 .0031 |
|
O .26105 .26105 .26105 .0044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL3a |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008856 |
|
8.3664 8.3664 8.3664 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0054 |
|
Fe2+ .125 .125 .125 .005 .0054 |
|
Mn2+ .125 .125 .125 .002 .0054 |
|
Zn .125 .125 .125 .008 .0054 |
|
Al .5 .5 .5 .010 .0043 |
|
V .5 .5 .5 .29 .0043 |
|
Cr .5 .5 .5 .70 .0043 |
|
O .26089 .26089 .26089 .0055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1d |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008857 |
|
8.3604 8.3604 8.3604 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0050 |
|
Fe2+ .125 .125 .125 .004 .0050 |
|
Mn2+ .125 .125 .125 .003 .0050 |
|
Al .5 .5 .5 .012 .0039 |
|
V .5 .5 .5 .32 .0039 |
|
Cr .5 .5 .5 .68 .0039 |
|
O .26096 .26096 .26096 .0056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL1e |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008858 |
|
8.3629 8.3629 8.3629 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0051 |
|
Fe2+ .125 .125 .125 .010 .0051 |
|
Mn2+ .125 .125 .125 .003 .0051 |
|
Al .5 .5 .5 .010 .0039 |
|
V .5 .5 .5 .34 .0039 |
|
Cr .5 .5 .5 .65 .0039 |
|
O .26097 .26097 .26097 .0055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL3b |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008859 |
|
8.3686 8.3686 8.3686 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .99 .0060 |
|
Fe2+ .125 .125 .125 .009 .0060 |
|
Zn .125 .125 .125 .008 .0060 |
|
Al .5 .5 .5 .012 .0053 |
|
V .5 .5 .5 .37 .0053 |
|
Cr .5 .5 .5 .62 .0053 |
|
O .261 .261 .261 .0061 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lavina B, Reznitskii L Z, Bosi F |
| |
Physics and Chemistry of Minerals 30 (2003) 599-605 |
|
Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia): |
|
the influence of V3+ on structural stability |
|
Sample: VRL3c |
|
Locality: Sludyanka, Lake Baikal, Russia |
|
_database_code_amcsd 0008860 |
|
8.3800 8.3800 8.3800 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .0060 |
|
Fe2+ .125 .125 .125 .002 .0060 |
|
Zn .125 .125 .125 .015 .0060 |
|
Al .5 .5 .5 .010 .0059 |
|
V .5 .5 .5 .48 .0059 |
|
Cr .5 .5 .5 .51 .0059 |
|
O .2610 .2610 .2610 .0057 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Unannealed |
|
_database_code_amcsd 0008938 |
|
8.1396 8.1396 8.1396 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .18 .0075 |
|
Fe2+A .125 .125 .125 .62 .0075 |
|
Fe3+A .125 .125 .125 .02 .0075 |
|
MgA .125 .125 .125 .18 .0075 |
|
AlB .5 .5 .5 .88 .0045 |
|
Fe2+B .5 .5 .5 .04 .0045 |
|
Fe3+B .5 .5 .5 .02 .0045 |
|
MgB .5 .5 .5 .06 .0045 |
|
O .26344 .26344 .26344 .0089 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 500 C, t = 24 h |
|
_database_code_amcsd 0008939 |
|
8.1388 8.1388 8.1388 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .18 .0073 |
|
Fe2+A .125 .125 .125 .62 .0073 |
|
Fe3+A .125 .125 .125 .02 .0073 |
|
MgA .125 .125 .125 .18 .0073 |
|
AlB .5 .5 .5 .88 .0042 |
|
Fe2+B .5 .5 .5 .045 .0042 |
|
Fe3+B .5 .5 .5 .02 .0042 |
|
MgB .5 .5 .5 .055 .0042 |
|
O .26343 .26343 .26343 .0085 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 500 C, t = 72 h |
|
_database_code_amcsd 0008940 |
|
8.1384 8.1384 8.1384 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .18 .0074 |
|
Fe2+A .125 .125 .125 .61 .0074 |
|
Fe3+A .125 .125 .125 .01 .0074 |
|
MgA .125 .125 .125 .19 .0074 |
|
AlB .5 .5 .5 .88 .0047 |
|
Fe2+B .5 .5 .5 .045 .0047 |
|
Fe3+B .5 .5 .5 .025 .0047 |
|
MgB .5 .5 .5 .05 .0047 |
|
O .26340 .26340 .26340 .0085 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 500 C, t = 116 h |
|
_database_code_amcsd 0008941 |
|
8.1380 8.1380 8.1380 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .16 .0074 |
|
Fe2+A .125 .125 .125 .60 .0074 |
|
Fe3+A .125 .125 .125 .03 .0074 |
|
MgA .125 .125 .125 .21 .0074 |
|
AlB .5 .5 .5 .89 .0044 |
|
Fe2+B .5 .5 .5 .055 .0044 |
|
Fe3+B .5 .5 .5 .01 .0044 |
|
MgB .5 .5 .5 .045 .0044 |
|
O .26356 .26356 .26356 .0083 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 500 C, t = 212 h |
|
_database_code_amcsd 0008942 |
|
8.1380 8.1380 8.1380 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .17 .0080 |
|
Fe2+A .125 .125 .125 .61 .0080 |
|
Fe3+A .125 .125 .125 .02 .0080 |
|
MgA .125 .125 .125 .20 .0080 |
|
AlB .5 .5 .5 .89 .0050 |
|
Fe2+B .5 .5 .5 .045 .0050 |
|
Fe3+B .5 .5 .5 .02 .0050 |
|
MgB .5 .5 .5 .045 .0050 |
|
O .26360 .26360 .26360 .0087 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 236 h |
|
_database_code_amcsd 0008943 |
|
8.1366 8.1366 8.1366 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .17 .0084 |
|
Fe2+A .125 .125 .125 .54 .0084 |
|
Fe3+A .125 .125 .125 .06 .0084 |
|
MgA .125 .125 .125 .23 .0084 |
|
AlB .5 .5 .5 .88 .0062 |
|
Fe2+B .5 .5 .5 .065 .0062 |
|
Fe3+B .5 .5 .5 .02 .0062 |
|
MgB .5 .5 .5 .03 .0062 |
|
O .26316 .26316 .26316 .0101 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 242 h |
|
_database_code_amcsd 0008944 |
|
8.1347 8.1347 8.1347 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .17 .0080 |
|
Fe2+A .125 .125 .125 .54 .0080 |
|
Fe3+A .125 .125 .125 .06 .0080 |
|
MgA .125 .125 .125 .23 .0080 |
|
AlB .5 .5 .5 .875 .0054 |
|
Fe2+B .5 .5 .5 .05 .0054 |
|
Fe3+B .5 .5 .5 .03 .0054 |
|
MgB .5 .5 .5 .035 .0054 |
|
O .26310 .26310 .26310 .0093 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 260 h |
|
_database_code_amcsd 0008945 |
|
8.1329 8.1329 8.1329 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .18 .0074 |
|
Fe2+A .125 .125 .125 .53 .0074 |
|
Fe3+A .125 .125 .125 .07 .0074 |
|
MgA .125 .125 .125 .22 .0074 |
|
AlB .5 .5 .5 .865 .0047 |
|
Fe2+B .5 .5 .5 .05 .0047 |
|
Fe3+B .5 .5 .5 .035 .0047 |
|
MgB .5 .5 .5 .035 .0047 |
|
O .26292 .26292 .26292 .0090 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 308 h |
|
_database_code_amcsd 0008946 |
|
8.1291 8.1291 8.1291 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .21 .0084 |
|
Fe2+A .125 .125 .125 .49 .0084 |
|
Fe3+A .125 .125 .125 .10 .0084 |
|
MgA .125 .125 .125 .18 .0084 |
|
AlB .5 .5 .5 .855 .0057 |
|
Fe2+B .5 .5 .5 .04 .0057 |
|
Fe3+B .5 .5 .5 .04 .0057 |
|
MgB .5 .5 .5 .055 .0057 |
|
O .26255 .26255 .26255 .0103 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 356 h |
|
_database_code_amcsd 0008947 |
|
8.1198 8.1198 8.1198 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .19 .0083 |
|
Fe2+A .125 .125 .125 .36 .0083 |
|
Fe3+A .125 .125 .125 .20 .0083 |
|
MgA .125 .125 .125 .23 .0083 |
|
AlB .5 .5 .5 .845 .0061 |
|
Fe2+B .5 .5 .5 .05 .0061 |
|
Fe3+B .5 .5 .5 .045 .0061 |
|
MgB .5 .5 .5 .03 .0061 |
|
O .26220 .26220 .26220 .0107 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 452 h |
|
_database_code_amcsd 0008948 |
|
8.1172 8.1172 8.1172 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .21 .0082 |
|
Fe2+A .125 .125 .125 .35 .0082 |
|
Fe3+A .125 .125 .125 .19 .0082 |
|
MgA .125 .125 .125 .22 .0082 |
|
AlB .5 .5 .5 .83 .0063 |
|
Fe2+B .5 .5 .5 .04 .0063 |
|
Fe3+B .5 .5 .5 .06 .0063 |
|
MgB .5 .5 .5 .035 .0063 |
|
O .26178 .26178 .26178 .0108 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 596 h |
|
_database_code_amcsd 0008949 |
|
8.1076 8.1076 8.1076 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .22 .0083 |
|
Fe2+A .125 .125 .125 .24 .0083 |
|
Fe3+A .125 .125 .125 .27 .0083 |
|
MgA .125 .125 .125 .24 .0083 |
|
AlB .5 .5 .5 .81 .0065 |
|
Fe2+B .5 .5 .5 .04 .0065 |
|
Fe3+B .5 .5 .5 .08 .0065 |
|
MgB .5 .5 .5 .02 .0065 |
|
O .26131 .26131 .26131 .0112 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 860 h |
|
_database_code_amcsd 0008950 |
|
8.1045 8.1045 8.1045 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .23 .0088 |
|
Fe2+A .125 .125 .125 .22 .0088 |
|
Fe3+A .125 .125 .125 .28 .0088 |
|
MgA .125 .125 .125 .24 .0088 |
|
AlB .5 .5 .5 .805 .0075 |
|
Fe2+B .5 .5 .5 .035 .0075 |
|
Fe3+B .5 .5 .5 .085 .0075 |
|
MgB .5 .5 .5 .025 .0075 |
|
O .26078 .26078 .26078 .0119 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 1196 h |
|
_database_code_amcsd 0008951 |
|
8.0989 8.0989 8.0989 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .26 .0085 |
|
Fe2+A .125 .125 .125 .16 .0085 |
|
Fe3+A .125 .125 .125 .32 .0085 |
|
MgA .125 .125 .125 .22 .0085 |
|
AlB .5 .5 .5 .78 .0074 |
|
Fe2+B .5 .5 .5 .025 .0074 |
|
Fe3+B .5 .5 .5 .095 .0074 |
|
MgB .5 .5 .5 .035 .0074 |
|
O .26048 .26048 .26048 .0121 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hercynite |
|
Lavina B, Princivalle F, Della Giusta A |
| |
Physics and Chemistry of Minerals 32 (2005) 83-88 |
|
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite |
|
Spinel structure |
|
Sample: Annealing temperature and time T = 600 C, t = 1842 h |
|
_database_code_amcsd 0008952 |
|
8.0975 8.0975 8.0975 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
AlA .125 .125 .125 .27 .0085 |
|
Fe2+A .125 .125 .125 .15 .0085 |
|
Fe3+A .125 .125 .125 .33 .0085 |
|
MgA .125 .125 .125 .21 .0085 |
|
AlB .5 .5 .5 .77 .0073 |
|
Fe2+B .5 .5 .5 .025 .0073 |
|
Fe3+B .5 .5 .5 .10 .0073 |
|
MgB .5 .5 .5 .04 .0073 |
|
O .26029 .26029 .26029 .01185 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tyrrellite |
|
Yang H, Hubler D K, Lavina B, Downs R T, Costin G |
 |
Acta Crystallographica C63 (2007) i73-i74 |
|
Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel |
|
Locality: Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada |
|
_database_code_amcsd 0010334 |
|
9.98850 9.98850 9.98850 90 90 90 *Fd3m |
|
0.125 0.125 0.125 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .125 .125 .125 .01020 .01020 .01020 .01020 0 0 0 |
|
Co .5 0 0 .68 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031 |
|
Ni .5 0 0 .32 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031 |
|
Se .26192 -.01192 -.01192 .00705 .00705 .00705 .00705 .00027 .00027 -.00027 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiP |
| |
Dera P, Lazarz J D, Lavina B |
| |
Journal of Solid State Chemistry 184 (2011) 1997-2003 |
|
Pressure-induced development of bonding in NiAs type compounds and |
|
polymorphism of NiP |
|
Locality: Synthetic |
|
Note: P = 1.29 GPa |
|
_database_code_amcsd 0018497 |
|
6.0360 4.8684 6.8788 90 90 90 Pbca |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ni .1945 .0117 .3968 .008 .008 .007 .009 .000 -.001 .001 |
|
P .0589 .1744 .1127 .010 .007 .009 .014 .000 .001 .003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NiP |
| |
Dera P, Lazarz J D, Lavina B |
| |
Journal of Solid State Chemistry 184 (2011) 1997-2003 |
|
Pressure-induced development of bonding in NiAs type compounds and |
|
polymorphism of NiP |
|
Locality: Synthetic |
|
Note: P = 5.79 GPa |
|
_database_code_amcsd 0018498 |
|
23.801 5.9238 4.8479 90 90 90 Cmc2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ni1 .4368 .0496 .4200 .009 .011 .010 .005 .001 .001 .000 |
|
Ni2 .1477 .0552 .4066 .007 .006 .007 .008 .000 .002 .002 |
|
Ni3 .2071 .4438 .3842 .008 .008 .008 .008 .003 .000 -.001 |
|
Ni4 0 .0518 .8991 .008 .010 .008 .006 0 0 .003 |
|
P1 .4306 .3187 .0991 .008 .003 .008 .013 -.002 -.005 .001 |
|
P2 .1444 .3094 .0706 .008 .009 .005 .009 -.001 -.001 .000 |
|
P3 .2894 .3120 .2200 .008 .007 .008 .007 .000 -.003 -.003 |
|
P4 0 .3141 .2362 .008 .009 .009 .005 0 0 -.004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P0, P = 0.02 GPa |
|
_database_code_amcsd 0017561 |
|
4.694 4.694 15.43 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0062 |
|
C 0 0 .25 .005 |
|
O .2745 0 .25 . 006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P1, P = 1.89 GPa |
|
_database_code_amcsd 0017562 |
|
4.676 4.676 15.310 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0086 |
|
C 0 0 .25 .005 |
|
O .2741 0 .25 . 010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P2, P = 3.48 GPa |
|
_database_code_amcsd 0017563 |
|
4.664 4.664 15.168 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .008 |
|
C 0 0 .25 .005 |
|
O .273 0 .25 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P3, P = 4.89 GPa |
|
_database_code_amcsd 0017564 |
|
4.650 4.650 15.12 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .010 |
|
C 0 0 .25 .005 |
|
O .275 0 .25 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P4, P = 7.31 GPa |
|
_database_code_amcsd 0017565 |
|
4.637 4.637 14.98 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .009 |
|
C 0 0 .25 .005 |
|
O .278 0 .25 .004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P5, P = 14.4 GPa |
|
_database_code_amcsd 0017566 |
|
4.607 4.607 14.415 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0090 |
|
C 0 0 .25 .005 |
|
O .2764 0 .25 .0101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P6, P = 18.37 GPa |
|
_database_code_amcsd 0017567 |
|
4.587 4.587 14.258 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0092 |
|
C 0 0 .25 .005 |
|
O .2779 0 .25 .0115 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P7, P = 18.82 GPa |
|
_database_code_amcsd 0017568 |
|
4.575 4.575 14.29 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0075 |
|
C 0 0 .25 .005 |
|
O .2777 0 .25 .0095 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P8, P = 19.19 GPa |
|
_database_code_amcsd 0017569 |
|
4.579 4.579 14.28 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0093 |
|
C 0 0 .25 .005 |
|
O .2779 0 .25 .0109 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P9, P = 28.62 GPa |
|
_database_code_amcsd 0017570 |
|
4.548 4.548 13.89 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0089 |
|
C 0 0 .25 .005 |
|
O .2787 0 .25 .0091 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P10, P = 30.6 GPa |
|
_database_code_amcsd 0017571 |
|
4.539 4.539 13.80 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0092 |
|
C 0 0 .25 .005 |
|
O .2795 0 .25 .0093 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P11, P = 36.3 GPa |
|
_database_code_amcsd 0017572 |
|
4.527 4.527 13.57 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0090 |
|
C 0 0 .25 .005 |
|
O .2788 0 .25 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P12, P = 38.5 GPa |
|
_database_code_amcsd 0017573 |
|
4.519 4.519 13.47 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0098 |
|
C 0 0 .25 .005 |
|
O .2779 0 .25 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P13-1, P = 39.05 GPa |
|
_database_code_amcsd 0017574 |
|
4.523 4.523 13.40 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .009 |
|
C 0 0 .25 .005 |
|
O .2800 0 .25 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P13-2, P = 39.0 GPa |
|
_database_code_amcsd 0017575 |
|
4.518 4.518 13.457 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0106 |
|
C 0 0 .25 .005 |
|
O .2780 0 .25 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P14, P = 41.2 GPa |
|
_database_code_amcsd 0017576 |
|
4.514 4.514 13.34 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0088 |
|
C 0 0 .25 .005 |
|
O .278 0 .25 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P15, P = 43.9 GPa |
|
_database_code_amcsd 0017577 |
|
4.502 4.502 13.23 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0091 |
|
C 0 0 .25 .005 |
|
O .2788 0 .25 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P16, P = 44.14 GPa |
|
_database_code_amcsd 0017578 |
|
4.500 4.500 13.25 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .007 |
|
C 0 0 .25 .005 |
|
O .280 0 .25 .005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P18_HS, P = 45.13 GPa |
|
_database_code_amcsd 0017579 |
|
4.485 4.485 13.19 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0115 |
|
C 0 0 .25 .005 |
|
O .2811 0 .25 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P19, P = 46.4 GPa |
|
_database_code_amcsd 0017580 |
|
4.367 4.367 12.78 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0059 |
|
C 0 0 .25 .005 |
|
O .2884 0 .25 .0058 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P20-1, P = 46.92 GPa |
|
_database_code_amcsd 0017581 |
|
4.372 4.372 12.72 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0074 |
|
C 0 0 .25 .005 |
|
O .2892 0 .25 .0080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P20-2, P = 47.2 GPa |
|
_database_code_amcsd 0017582 |
|
4.368 4.368 12.75 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0041 |
|
C 0 0 .25 .005 |
|
O .2875 0 .25 .0051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P21, P = 47.49 GPa |
|
_database_code_amcsd 0017583 |
|
4.367 4.367 12.74 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0053 |
|
C 0 0 .25 .005 |
|
O .2885 0 .25 .0058 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P22, P = 49.2 GPa |
|
_database_code_amcsd 0017584 |
|
4.364 4.364 12.66 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0055 |
|
C 0 0 .25 .005 |
|
O .2883 0 .25 .007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P23, P = 51.9 GPa |
|
_database_code_amcsd 0017585 |
|
4.355 4.355 12.59 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0064 |
|
C 0 0 .25 .005 |
|
O .2890 0 .25 .004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P24, P = 52.6 GPa |
|
_database_code_amcsd 0017586 |
|
4.358 4.358 12.62 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0070 |
|
C 0 0 .25 .005 |
|
O .2901 0 .25 .008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P25, P = 54.0 GPa |
|
_database_code_amcsd 0017587 |
|
4.355 4.355 12.54 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0075 |
|
C 0 0 .25 .005 |
|
O .2898 0 .25 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P26, P = 55.96 GPa |
|
_database_code_amcsd 0017588 |
|
4.343 4.343 12.497 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0053 |
|
C 0 0 .25 .005 |
|
O .2901 0 .25 .0047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P27-1, P = 55.0 GPa |
|
_database_code_amcsd 0017589 |
|
4.3474 4.3474 12.534 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .010 |
|
C 0 0 .25 .005 |
|
O .2887 0 .25 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P27-2, P = 55.0 GPa |
|
_database_code_amcsd 0017590 |
|
4.3462 4.3462 12.519 90 90 120 R-3c |
|
atom x y z Uiso |
|
Fe 0 0 0 .0078 |
|
C 0 0 .25 .005 |
|
O .2904 0 .25 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Siderite |
|
Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
| |
Physical Review B82 (2010) 064110-8 |
|
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
|
Locality: Invigtut, Greenland |
|
Note: run P27-3, P = 55.0 GPa |
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_database_code_amcsd 0017591 |
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4.3480 4.3480 12.52 90 90 120 R-3c |
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atom x y z Uiso |
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Fe 0 0 0 .0096 |
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C 0 0 .25 .005 |
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O .2886 0 .25 .0093 |
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| 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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Siderite |
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Lavina B, Dera P, Downs R T, Yang W, Sinogeikin S, Meng Y, Shen G, Schiferl D |
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Physical Review B82 (2010) 064110-8 |
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Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition |
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Locality: Invigtut, Greenland |
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Note: run P27-4, P = 55.0 GPa |
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_database_code_amcsd 0017592 |
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4.347 4.347 12.477 90 90 120 R-3c |
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atom x y z Uiso |
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Fe 0 0 0 .007 |
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C 0 0 .25 .005 |
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O .2896 0 .25 .009 |
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|
| 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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Fe4O5 |
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Lavina B, Dera P, Kim E, Meng Y, Downs R T, Weck P F, Sutton S R, Zhao Y |
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Proceedings of the National Academy of Sciences 108 (2011) 17281-17284 |
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Discovery of the recoverable high-pressure iron oxide Fe4O5 |
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Locality: synthetic |
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Note: P = 10 GPa |
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_database_code_amcsd 0018509 |
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2.8430 9.700 12.29 90 90 90 Cmcm |
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atom x y z Uiso |
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Fe1 0 0 0 .02 |
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Fe2 0 .2616 .1131 .02 |
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Fe3 0 .5048 .25 .02 |
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O1 0 .158 .25 .02 |
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O2 0 .365 .55 .02 |
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O3 0 .085 .643 .02 |
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| 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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