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(K.67Th.33)TiO3 |
| |
Chakhmouradian A R, Mitchell R H |
 |
American Mineralogist 86 (2001) 1076-1080 |
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Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3, |
|
a possible host for Th in the upper mantle |
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_database_code_amcsd 0002671 |
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3.9007 3.9007 7.8099 90 90 90 P4/mmm |
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atom x y z occ Biso |
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K1 0 0 0 .90 .60 |
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Th1 0 0 0 .10 .60 |
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K2 0 0 .5 .48 .60 |
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Th2 0 0 .5 .52 .60 |
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Ti .5 .5 .249 1.0 |
|
O1 .5 .5 0 .6 |
|
O2 .5 .5 .5 .6 |
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O3 0 .5 .267 .6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Loparite-(Ce) |
 |
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
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Sample: Loparite K |
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Locality: Khibina complex, Russia |
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_database_code_amcsd 0005639 |
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5.5108 5.5084 7.7964 90 90 90 Pbnm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na -.0034 .5003 .25 .54 .0179 |
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La -.0034 .5003 .25 .09 .0179 |
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Ce -.0034 .5003 .25 .17 .0179 |
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Pr -.0034 .5003 .25 .01 .0179 |
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Nd -.0034 .5003 .25 .03 .0179 |
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Ca -.0034 .5003 .25 .09 .0179 |
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Sr -.0034 .5003 .25 .04 .0179 |
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Ti 0 0 0 .76 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
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Nb 0 0 0 .23 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
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Ta 0 0 0 .01 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
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O1 .0508 -.0016 .25 .0344 .0242 .0622 .0166 -.0033 0 0 |
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O2 .2428 .2510 -.0181 .0597 .0610 .0530 .0652 -.0435 -.0049 .0149 |
|
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| Download AMC data (View Text File)
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| |
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Loparite-(Ce) |
|
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
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Sample: Loparite L |
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Locality: Lovozero complex, Russia |
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_database_code_amcsd 0005640 |
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5.5022 5.5084 7.7767 90 90 90 I4/mcm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .25 .46 .0197 .0196 .0196 .0200 0 0 0 |
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La 0 .5 .25 .09 .0197 .0196 .0196 .0200 0 0 0 |
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Ce 0 .5 .25 .18 .0197 .0196 .0196 .0200 0 0 0 |
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Pr 0 .5 .25 .02 .0197 .0196 .0196 .0200 0 0 0 |
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Nd 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0 |
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Ca 0 .5 .25 .13 .0197 .0196 .0196 .0200 0 0 0 |
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Sr 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0 |
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Ti 0 0 0 .87 .0122 .0127 .0127 .0113 0 0 0 |
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Nb 0 0 0 .13 .0122 .0127 .0127 .0113 0 0 0 |
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O1 0 0 .25 .0641 .0856 .0856 .0210 0 0 0 |
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O2 .2828 .7828 0 .0438 .0261 .0261 .0792 .0053 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Loparite-(Ce) |
|
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
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Sample: Loparite BM |
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Locality: Bearpaw Mountains, Montana, USA |
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_database_code_amcsd 0005641 |
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5.5076 5.5076 7.7767 90 90 90 I4/mcm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .25 .31 .0136 .0146 .0146 .0114 0 0 0 |
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La 0 .5 .25 .10 .0136 .0146 .0146 .0114 0 0 0 |
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Ce 0 .5 .25 .15 .0136 .0146 .0146 .0114 0 0 0 |
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Nd 0 .5 .25 .03 .0136 .0146 .0146 .0114 0 0 0 |
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Ca 0 .5 .25 .07 .0136 .0146 .0146 .0114 0 0 0 |
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Sr 0 .5 .25 .30 .0136 .0146 .0146 .0114 0 0 0 |
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Th 0 .5 .25 .01 .0136 .0146 .0146 .0114 0 0 0 |
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Ti 0 0 0 .94 .0073 .0075 .0075 .0067 0 0 0 |
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Nb 0 0 0 .05 .0073 .0075 .0075 .0067 0 0 0 |
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O1 0 0 .25 .0404 .0554 .0554 .0106 0 0 0 |
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O2 .2684 .7684 0 .0273 .0169 .0169 .0480 .0019 0 0 |
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|
| Download AMC data (View Text File)
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| |
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Henrymeyerite |
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Mitchell R H, Yakovenchuk V N, Chakhmouradian A R, Burns P C, |
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Pakhomovsky Y A |
|
The Canadian Mineralogist 38 (2000) 617-626 |
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Henrymeyerite, a new hollandite-type Ba-Fe titanate from the |
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Kovdor Complex, Russia |
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Locality: Kovdor Complex, Russia |
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_database_code_amcsd 0005647 |
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10.219 10.219 2.963 90 90 90 I4/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 .5 .86 .0290 .0290 .0310 0 0 0 |
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Na 0 0 .5 .09 .0290 .0290 .0310 0 0 0 |
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K 0 0 .5 .01 .0290 .0290 .0310 0 0 0 |
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La 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
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Ce 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
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Ti .34985 .16604 0 .86 .0090 .0121 .0060 .0021 0 0 |
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Fe .34985 .16604 0 .13 .0090 .0121 .0060 .0021 0 0 |
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O1 .1558 .2037 0 .010 .015 .009 .000 0 0 |
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O2 .5390 .1672 0 .010 .013 .013 .000 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Fluorcaphite |
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Chakhmouradian A R, Hughes J M, Rakovan J F |
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The Canadian Mineralogist 43 (2005) 735-746 |
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Fluorcaphite, a second occurrence and detailed structural analysis: |
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Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
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Sample: Mt. Selsurt, Lovozero, Russia |
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_database_code_amcsd 0006014 |
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9.4456 9.4456 6.9520 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .0000 .480 .0147 |
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Sr1 2/3 1/3 .0000 .115 .0147 |
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Na1 2/3 1/3 .0000 .290 .0147 |
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Ce1 2/3 1/3 .0000 .110 .0147 |
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La1 2/3 1/3 .0000 .005 .0147 |
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Ca1' 2/3 1/3 .5013 .575 .0114 |
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Na1' 2/3 1/3 .5013 .295 .0114 |
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Ce1' 2/3 1/3 .5013 .110 .0114 |
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Nd1' 2/3 1/3 .5013 .020 .0114 |
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Sr2 .76156 .01185 .25 .492 .01133 |
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Ca2 .76156 .01185 .25 .465 .01133 |
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La2 .76156 .01185 .25 .043 .01133 |
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P .60116 -.36970 .2522 .00992 |
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O1 .84353 .32851 .2549 .0167 |
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O2 .41362 -.46562 .2537 .0197 |
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O3 .6532 -.2591 .0736 .0206 |
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O3' .6651 -.2573 .4271 .0244 |
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F 0 0 .248 .958 .0372 |
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OH 0 0 .248 .042 .0372 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Fluorcaphite |
|
Chakhmouradian A R, Hughes J M, Rakovan J F |
|
The Canadian Mineralogist 43 (2005) 735-746 |
|
Fluorcaphite, a second occurrence and detailed structural analysis: |
|
Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
|
Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia |
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_database_code_amcsd 0006015 |
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9.4853 9.4853 6.9862 90 90 120 P6_3 |
|
atom x y z occ Uiso |
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Ca1 2/3 1/3 -.0017 .585 .0148 |
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Sr1 2/3 1/3 -.0017 .210 .0148 |
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Na1 2/3 1/3 -.0017 .195 .0148 |
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La1 2/3 1/3 -.0017 .010 .0148 |
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Ca1' 2/3 1/3 .5013 .880 .0124 |
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Ce1' 2/3 1/3 .5013 .065 .0124 |
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Nd1' 2/3 1/3 .5013 .015 .0124 |
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Pr1' 2/3 1/3 .5013 .040 .0124 |
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Sr2 .76099 .01279 .25 .278 .01182 |
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Ca2 .76099 .01279 .25 .610 .01182 |
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La2 .76099 .01279 .25 .055 .01182 |
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Ce2 .76099 .01279 .25 .040 .01182 |
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Nd2 .76099 .01279 .25 .017 .01182 |
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P .60118 -.36967 .2522 .0102 |
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O1 .8441 .3286 .2561 .0176 |
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O2 .4143 -.4654 .2493 .0221 |
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O3 .6518 -.2608 .0726 .020 |
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O3' .6665 -.2556 .4250 .030 |
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F 0 0 .246 .749 .052 |
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OH 0 0 .246 .251 .052 |
|
|
| Download AMC data (View Text File)
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| |
|
Marianoite |
| |
Chakhmouradian A R, Mitchell R H, Burns P C, Mikhailova Y, Reguir E P |
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The Canadian Mineralogist 46 (2008) 1023-1032 |
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Marianoite, a new member of the cuspidine group from the Prairie Lake |
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silicocarbonatite, Ontario |
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Note: ordering of elements in M1 and M2 could not be determined |
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Locality: Prairie Lake silicocarbonatite, Ontario, Canada |
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_database_code_amcsd 0019475 |
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10.8459 10.2260 7.2727 90 109.332 90 P2_1 |
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atom x y z occ Uiso |
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Na1 .1306 .5813 .4467 .0135 |
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Na2 .6243 .2359 .6912 .0145 |
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Ca1 .3530 .3468 .8003 .0117 |
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Ca2 .1316 .5790 .9463 .0138 |
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Ca3 .6551 .8490 .7006 .0129 |
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Ca4 .1537 .9684 .4478 .0154 |
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NbM1 .3661 .7193 .8045 .485 .0067 |
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ZrM1 .3661 .7193 .8045 .45 .0067 |
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TiM1 .3661 .7193 .8045 .045 .0067 |
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FeM1 .3661 .7193 .8045 .04 .0067 |
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MgM1 .3661 .7193 .8045 .015 .0067 |
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HfM1 .3661 .7193 .8045 .005 .0067 |
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NbM2 .8413 .4574 .0535 .485 .0093 |
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ZrM2 .8413 .4574 .0535 .45 .0093 |
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TiM2 .8413 .4574 .0535 .045 .0093 |
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FeM2 .8413 .4574 .0535 .04 .0093 |
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MgM2 .8413 .4574 .0535 .015 .0093 |
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HfM2 .8413 .4574 .0535 .005 .0093 |
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Si1 .5721 .5315 .6359 .0083 |
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Si2 .4204 .0399 .8038 .0088 |
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Si3 .9345 .7792 .1238 .0084 |
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Si4 .0597 .2809 .4365 .0105 |
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O1 .4793 .4073 .6178 .0116 |
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O2 .0104 .1383 .3495 .0170 |
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O3 .5183 .6652 .6990 .0188 |
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O4 .4949 .1653 .9178 .0138 |
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O5 .4910 .9025 .8791 .0122 |
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O6 .9724 .4038 .3210 .0164 |
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O7 .7237 .5027 .7729 .0160 |
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O8 .2671 .0427 .7912 .0151 |
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O9 .2062 .3067 .4793 .0227 |
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O10 .9603 .6298 .0741 .0148 |
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O11 .0390 .8813 .0875 .0192 |
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O12 .2540 .7829 .9537 .0157 |
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O13 .0223 .2923 .6374 .0175 |
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O14 .5878 .5622 .4213 .0220 |
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O15 .7928 .8362 .0224 .0154 |
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O16 .2853 .5593 .7754 .0137 |
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O17 .2748 .7841 .5635 .0131 |
|
F .2598 .5563 .2536 .0091 |
|
|
| Download AMC data (View Text File)
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| |
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Hibschite |
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Chakhmouradian A R, Cooper M A, Medici L, Hawthorne F C, Adar F |
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The Canadian Mineralogist 46 (2008) 1033-1042 |
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Fluorine-rich hibschite from silicocarbonatite, Afrikanda Complex, Russia: |
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Crystal chemistry and conditions of crystallization |
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Locality: silicocarbonatite, Afrikanda Complex, Russia |
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_database_code_amcsd 0019474 |
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12.037 12.037 12.037 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca 0 .25 .125 .0164 |
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AlY 0 0 0 .97 .0154 |
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FeY 0 0 0 .03 .0154 |
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SiZ .375 0 .25 .68 .011 |
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O .0460 .1493 -.0359 .68 .020 |
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OH .0460 .1493 -.0359 .22 .020 |
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F .0460 .1493 -.0359 .10 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Isolueshite |
| |
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
| |
European Journal of Mineralogy 12 (2000) 597-607 |
|
Crystal structure of isolueshite and its synthetic compositional analogue |
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Sample: isolueshite |
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_database_code_amcsd 0006836 |
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3.909 3.909 3.909 90 90 90 Pm-3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 0 0 .75 .0182 .0182 .0182 .0182 0 0 0 |
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La 0 0 0 .19 .0182 .0182 .0182 .0182 0 0 0 |
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Ca 0 0 0 .06 .0182 .0182 .0182 .0182 0 0 0 |
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Nb 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
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Ti 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
|
O .579 0 1/2 .25 .029 .025 .012 .050 0 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Isolueshite |
| |
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
| |
European Journal of Mineralogy 12 (2000) 597-607 |
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Crystal structure of isolueshite and its synthetic compositional analogue |
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Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3 |
|
_database_code_amcsd 0006837 |
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7.7842 7.8033 7.7828 90 90 90 Cmcm |
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atom x y z occ Biso |
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NaA1 0 .002 1/4 .75 1.47 |
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LaA1 0 .002 1/4 .25 1.47 |
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NaA2 0 .499 1/4 .75 1.47 |
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LaA2 0 .499 1/4 .25 1.47 |
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NbB 1/4 1/4 0 .5 1.42 |
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TiB 1/4 1/4 0 .5 1.42 |
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O1 .215 0 0 2.7 |
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O2 0 .232 .005 1.7 |
|
O3 .298 .237 1/4 .6 |
|
|
| Download AMC data (View Text File)
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| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R |
| |
Physics and Chemistry of Minerals 26 (1999) 396-405 |
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Solid solubility in the system NaLREETi2O6 - ThTi2O6 |
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(LREE, light rare-earth elements): experimental and analytical data |
|
_database_code_amcsd 0008220 |
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5.4652 5.4652 7.7476 90 90 90 I4/mcm |
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atom x y z occ Biso |
|
Na 0 .5 .25 .45 .85 |
|
La 0 .5 .25 .34 .85 |
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Th 0 .5 .25 .13 .85 |
|
Ti 0 0 0 .74 |
|
O1 0 0 .25 2.8 |
|
O2 .224 .724 0 1.7 |
|
|
| Download AMC data (View Text File)
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| |
|
Thorutite |
|
Mitchell R H, Chakhmouradian A R |
| |
Physics and Chemistry of Minerals 26 (1999) 396-405 |
|
Solid solubility in the system NaLREETi2O6 - ThTi2O6 |
|
(LREE, light rare-earth elements): experimental and analytical data |
|
_database_code_amcsd 0008221 |
|
9.8140 3.8228 7.0313 90 118.82 90 C2/m |
|
atom x y z Biso |
|
Th 0 0 0 .81 |
|
Ti .8236 0 .3948 .78 |
|
O1 .980 0 .315 .6 |
|
O2 .660 0 .115 1.6 |
|
O3 .283 0 .410 1.2 |
|
|
| Download AMC data (View Text File)
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| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: synchrotron XRD data |
|
_database_code_amcsd 0008445 |
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5.49755 5.49755 7.78810 90 90 90 I4/mcm |
|
atom x y z occ Biso |
|
SrA 0 .5 .25 .5 .28 |
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NaA 0 .5 .25 .25 .28 |
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LaA 0 .5 .25 .25 .28 |
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Ti 0 0 0 .22 |
|
O1 0 0 .25 .26 |
|
O2 .2248 .7248 0 .26 |
|
|
| Download AMC data (View Text File)
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| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.00 |
|
_database_code_amcsd 0008446 |
|
3.90528 3.90528 3.90528 90 90 90 Pm-3m |
|
atom x y z |
|
SrA .5 .5 .5 |
|
Ti 0 0 0 |
|
O .5 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.05 |
|
_database_code_amcsd 0008447 |
|
3.90427 3.90427 3.90427 90 90 90 Pm-3m |
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atom x y z occ |
|
SrA .5 .5 .5 .90 |
|
NaA .5 .5 .5 .05 |
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LaA .5 .5 .5 .05 |
|
Ti 0 0 0 |
|
O .5 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.10 |
|
_database_code_amcsd 0008448 |
|
3.90170 3.90170 3.90170 90 90 90 Pm-3m |
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atom x y z occ |
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SrA .5 .5 .5 .80 |
|
NaA .5 .5 .5 .10 |
|
LaA .5 .5 .5 .10 |
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Ti 0 0 0 |
|
O .5 0 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.15 |
|
_database_code_amcsd 0008449 |
|
5.5116 5.5116 7.8036 90 90 90 I4/mcm |
|
atom x y z occ |
|
SrA 0 .5 .25 .70 |
|
NaA 0 .5 .25 .15 |
|
LaA 0 .5 .25 .15 |
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Ti 0 0 0 |
|
O1 0 0 .25 |
|
O2 .239 .739 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.20 |
|
_database_code_amcsd 0008450 |
|
5.5073 5.5073 7.8018 90 90 90 I4/mcm |
|
atom x y z occ |
|
SrA 0 .5 .25 .60 |
|
NaA 0 .5 .25 .20 |
|
LaA 0 .5 .25 .20 |
|
Ti 0 0 0 |
|
O1 0 0 .25 |
|
O2 .235 .735 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Tausonite |
|
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.25 |
|
_database_code_amcsd 0008451 |
|
5.5016 5.5016 7.7976 90 90 90 I4/mcm |
|
atom x y z occ Biso |
|
SrA 0 .5 .25 .5 .93 |
|
NaA 0 .5 .25 .25 .93 |
|
LaA 0 .5 .25 .25 .93 |
|
Ti 0 0 0 .84 |
|
O1 0 0 .25 2.2 |
|
O2 .233 .733 0 .6 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.30 |
|
_database_code_amcsd 0008452 |
|
5.5025 5.5025 7.7701 90 90 90 I4/mcm |
|
atom x y z occ |
|
SrA 0 .5 .25 .40 |
|
NaA 0 .5 .25 .30 |
|
LaA 0 .5 .25 .30 |
|
Ti 0 0 0 |
|
O1 0 0 .25 |
|
O2 .229 .729 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.35 |
|
_database_code_amcsd 0008453 |
|
5.4912 5.4912 7.7839 90 90 90 I4/mcm |
|
atom x y z occ |
|
SrA 0 .5 .25 .30 |
|
NaA 0 .5 .25 .35 |
|
LaA 0 .5 .25 .35 |
|
Ti 0 0 0 |
|
O1 0 0 .25 |
|
O2 .226 .726 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.40 |
|
_database_code_amcsd 0008454 |
|
5.4882 5.4882 13.442 90 90 120 R-3c |
|
atom x y z occ Biso |
|
SrA 0 0 .25 .20 .89 |
|
NaA 0 0 .25 .40 .89 |
|
LaA 0 0 .25 .40 .89 |
|
Ti 0 0 0 1.0 |
|
O .533 0 .25 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.45 |
|
_database_code_amcsd 0008455 |
|
5.4855 5.4855 13.440 90 90 120 R-3c |
|
atom x y z occ |
|
SrA 0 0 .25 .10 |
|
NaA 0 0 .25 .45 |
|
LaA 0 0 .25 .45 |
|
Ti 0 0 0 |
|
O .535 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Loparite |
| |
Mitchell R H, Chakhmouradian A R, Woodward P M |
| |
Physics and Chemistry of Minerals 27 (2000) 583-589 |
|
Crystal chemistry of perovskite-type compounds in the |
|
tausonite-loparite series, (Sr1-2xNaxLax)TiO3 |
|
Sample: x = 0.50 |
|
_database_code_amcsd 0008456 |
|
5.4820 5.4820 13.4104 90 90 120 R-3c |
|
atom x y z occ |
|
NaA 0 0 .25 .50 |
|
LaA 0 0 .25 .50 |
|
Ti 0 0 0 |
|
O .539 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by X-ray diffraction |
|
_database_code_amcsd 0008540 |
|
5.3607 5.4873 7.6662 90 90 90 Pbnm |
|
atom x y z Biso |
|
Na .9895 .0441 .25 1.89 |
|
Mg 0 .5 0 .89 |
|
F1 .0897 .4722 .25 1.17 |
|
F2 .7028 .2964 .0476 1.20 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction |
|
_database_code_amcsd 0008541 |
|
5.365 5.492 7.674 90 90 90 Pbnm |
|
atom x y z Biso |
|
Na .9896 .0452 .25 1.6 |
|
Mg 0 .5 0 .42 |
|
F1 .0872 .4741 .25 .80 |
|
F2 .7030 .2953 .0464 .92 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by X-ray diffraction, x = .18 |
|
_database_code_amcsd 0008542 |
|
5.4486 5.5101 7.7623 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Na .9911 .0244 .25 .82 2.09 |
|
K .9911 .0244 .25 .18 2.09 |
|
Mg 0 .5 0 .94 |
|
F1 .0778 .4831 .25 1.4 |
|
F2 .7084 .2876 .0290 1.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction, x = .5 |
|
One of two alternative models |
|
_database_code_amcsd 0008543 |
|
5.566 5.566 3.953 90 90 90 P4/mbm |
|
atom x y z occ Biso |
|
Na 0 .5 .5 .5 1.1 |
|
K 0 .5 .5 .5 1.1 |
|
Mg 0 0 0 -.5 |
|
F1 0 0 .5 1.97 |
|
F2 .2596 .7596 0 1.96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample studied by neutron diffraction, x = .5 |
|
One of two alternative models |
|
_database_code_amcsd 0008544 |
|
3.9354 3.9354 3.9354 90 90 90 Pm3m |
|
atom x y z occ Biso |
|
Na .5 .5 .5 .5 1.0 |
|
K .5 .5 .5 .5 1.0 |
|
Mg 0 0 0 -.6 |
|
F .5 0 0 2.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.44K.56MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .56 |
|
_database_code_amcsd 0008545 |
|
3.9494 3.9492 3.9492 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .44 |
|
K .5 .5 .5 .56 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.4K.6MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .60 |
|
_database_code_amcsd 0008546 |
|
3.9545 3.9545 3.9545 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .40 |
|
K .5 .5 .5 .60 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.33K.67MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .67 |
|
_database_code_amcsd 0008547 |
|
3.9622 3.9622 3.9622 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .33 |
|
K .5 .5 .5 .67 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.3K.7MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .70 |
|
_database_code_amcsd 0008548 |
|
3.9659 3.9659 3.9659 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .30 |
|
K .5 .5 .5 .70 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.22K.78MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .78 |
|
_database_code_amcsd 0008549 |
|
3.9742 3.9742 3.9742 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .22 |
|
K .5 .5 .5 .78 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Na.11K.89MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .89 |
|
_database_code_amcsd 0008550 |
|
3.9824 3.9824 3.9824 90 90 90 Pm3m |
|
atom x y z occ |
|
Na .5 .5 .5 .11 |
|
K .5 .5 .5 .89 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
KMgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = 1.00 |
|
_database_code_amcsd 0008551 |
|
3.9897 3.9897 3.9897 90 90 90 Pm3m |
|
atom x y z |
|
K .5 .5 1/2 |
|
Mg 0 0 0 |
|
F .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
| |
Physics and Chemistry of Minerals 32 (2005) 277-289 |
|
Schorlomite: a discussion of the crystal chemistry, formula, |
|
and inter-species boundaries |
|
Garnet |
|
Sample: Afrikanda, Kola Peninsula, Russia |
|
_database_code_amcsd 0008963 |
|
12.1464 12.1464 12.1464 90 90 90 Ia3d |
|
atom x y z occ Uiso |
|
CaX .125 0 .25 .9663 .0110 |
|
Fe2+X .125 0 .25 .0193 .0110 |
|
NaX .125 0 .25 .0077 .0110 |
|
MnX .125 0 .25 .0067 .0110 |
|
Ti4+Y 0 0 0 .4795 .0074 |
|
Fe3+Y 0 0 0 .278 .0074 |
|
Fe2+Y 0 0 0 .0985 .0074 |
|
MgY 0 0 0 .078 .0074 |
|
ZrY 0 0 0 .040 .0074 |
|
AlY 0 0 0 .0245 .0074 |
|
NbY 0 0 0 .0015 .0074 |
|
SiZ .375 0 .25 .7673 .0077 |
|
Fe3+Z .375 0 .25 .1657 .0077 |
|
AlZ .375 0 .25 .057 .0077 |
|
HZ .375 0 .25 .0397 .0077 |
|
O .0373 .0483 .65348 .0122 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
| |
Physics and Chemistry of Minerals 32 (2005) 277-289 |
|
Schorlomite: a discussion of the crystal chemistry, formula, |
|
and inter-species boundaries |
|
Garnet |
|
Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas |
|
_database_code_amcsd 0008964 |
|
12.1524 12.1524 12.1524 90 90 90 Ia3d |
|
atom x y z occ Uiso |
|
CaX .125 0 .25 .9717 .0097 |
|
Fe2+X .125 0 .25 .0103 .0097 |
|
NaX .125 0 .25 .0067 .0097 |
|
MnX .125 0 .25 .0113 .0097 |
|
Ti4+Y 0 0 0 .527 .0059 |
|
Fe3+Y 0 0 0 .265 .0059 |
|
Fe2+Y 0 0 0 .100 .0059 |
|
MgY 0 0 0 .079 .0059 |
|
ZrY 0 0 0 .028 .0059 |
|
NbY 0 0 0 .001 .0059 |
|
SiZ .375 0 .25 .7543 .0060 |
|
Fe3+Z .375 0 .25 .1933 .0060 |
|
AlZ .375 0 .25 .0523 .0060 |
|
O .03706 .04822 .65335 .0112 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Simmonsite |
| |
Ross K C, Mitchell R H, Chakhmouradian A R |
| |
Journal of Solid State Chemistry 172 (2003) 95-101 |
|
The crystal structure of synthetic simmonsite, Na2LiAlF6 |
|
Locality: synthetic |
|
_database_code_amcsd 0014032 |
|
5.2842 5.3698 7.5063 90 89.98 90 P2_1/n |
|
atom x y z Biso |
|
Na .5010 .5389 .2506 2.1 |
|
Li .5 0 .5 1.0 |
|
Al .5 0 0 1.4 |
|
F1 .2200 .1930 .9620 1.4 |
|
F2 .3072 .7215 .9585 1.5 |
|
F3 .4239 .9796 .2310 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cryolite |
|
Ross K C, Mitchell R H, Chakhmouradian A R |
| |
Journal of Solid State Chemistry 172 (2003) 95-101 |
|
The crystal structure of synthetic simmonsite, Na2LiAlF6 |
|
Locality: natural |
|
_database_code_amcsd 0014033 |
|
5.4058 5.5926 7.7699 90 90.195 90 P2_1/n |
|
atom x y z Biso |
|
Na2 .5119 .9489 .2488 2.4 |
|
Na1 0 0 .5 1.4 |
|
Al 0 0 0 .9 |
|
F1 .1036 .0442 .2196 1.3 |
|
F2 .7257 .1741 .0425 1.9 |
|
F3 .1693 .2683 -.0609 1.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cryolite |
|
Ross K C, Mitchell R H, Chakhmouradian A R |
| |
Journal of Solid State Chemistry 172 (2003) 95-101 |
|
The crystal structure of synthetic simmonsite, Na2LiAlF6 |
|
Locality: synthetic |
|
_database_code_amcsd 0014034 |
|
5.4054 5.5934 7.7672 90 89.81 90 P2_1/n |
|
atom x y z Biso |
|
Na2 .5138 .5520 .2518 2.3 |
|
Na1 .5 0 .5 1.6 |
|
Al1 .5 0 0 1.8 |
|
F1 .2255 .1765 .9530 1.6 |
|
F2 .3353 .7285 .9362 1.4 |
|
F3 .3970 .9564 .2182 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cerianite-(Ce) |
|
Zaitsev A N, Chakhmouradian A R, Siidra O I, Spratt J, Williams C T, |
|
Stanley C J, Petrov S V, Britvin S N, Polyakova E A |
| |
Mineralogical Magazine 75 (2011) 2813-2822 |
|
Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the |
|
Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania |
|
Locality: Gregory Rift, northern Tanzania |
|
_database_code_amcsd 0018569 |
|
5.4203 5.4203 5.4203 90 90 90 Fm-3m |
|
atom x y z occ Uiso |
|
CeA 0 0 .5 .62 .0093 |
|
YA 0 0 .5 .20 .0093 |
|
NdA 0 0 .5 .06 .0093 |
|
LaA 0 0 .5 .03 .0093 |
|
PrA 0 0 .5 .01 .0093 |
|
SmA 0 0 .5 .01 .0093 |
|
GdA 0 0 .5 .02 .0093 |
|
DyA 0 0 .5 .02 .0093 |
|
ErA 0 0 .5 .01 .0093 |
|
YbA 0 0 .5 .02 .0093 |
|
OX .25 .25 .25 .84 .0128 |
|
FX .25 .25 .25 .12 .0128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Magbasite |
|
Welch M D, Mitchell R H, Kampf A R, Chakhmouradian, Smith D, Carter M |
| |
Mineralogical Magazine 78 (2014) 29-45 |
|
Crystal structure and topological affinities of magbasite, |
|
KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite |
|
Locality: Eldor carbonatite complex, Labrador Trough, Quebec, Canada |
|
_database_code_amcsd 0020127 |
|
18.9506 22.5045 5.2780 90 90 90 Cmma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA .5 .25 .1671 .0218 .0253 .0194 .0209 0 0 0 |
|
BaB .25 0 0 .0142 .0231 .00886 .01064 0 0 0 |
|
Fe1 .25 .17858 0 .026 .0082 .0097 .0075 .0075 0 .0003 0 |
|
Mg1 .25 .17858 0 .974 .0082 .0097 .0075 .0075 0 .0003 0 |
|
Mg2 .25 .10953 .5 .967 .0086 .0102 .0078 .0078 0 .0013 0 |
|
Fe2 .25 .10953 .5 .033 .0086 .0102 .0078 .0078 0 .0013 0 |
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Mg3 .25 .25 .5 .997 .0074 .0090 .0066 .0065 0 -.0007 0 |
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Fe3 .25 .25 .5 .003 .0074 .0090 .0066 .0065 0 -.0007 0 |
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Mg4 .08910 0 .5 .694 .0099 .0113 .0099 .0084 -.0021 0 0 |
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Fe4 .08910 0 .5 .306 .0099 .0113 .0099 .0084 -.0021 0 0 |
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Al5 0 0 0 .100 .0078 .0099 .0068 .0067 0 0 .0000 |
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Fe5 0 0 0 .900 .0078 .0099 .0068 .0067 0 0 .0000 |
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Si1 .10920 .18227 .33473 .0069 .0081 .0059 .0067 -.0002 .0001 -.0001 |
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Si2 .39170 .11413 .16654 .0072 .0083 .0064 .0068 .0007 .0000 .0002 |
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O2 .07852 .25 .3314 .0110 .0112 .0059 .0159 0 -.0004 0 |
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O3 .19395 .18251 .3343 .0084 .0090 .0081 .0082 -.0007 -.0000 -.0006 |
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O4 .30704 .11463 .1727 .0091 .0094 .0088 .0090 .0009 .0005 .0004 |
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O5 .42215 .15204 .4110 .0109 .0106 .0120 .0100 -.0001 .0005 -.0032 |
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O6 .07865 .15062 .0815 .0101 .0102 .0113 .0088 -.0001 -.0001 -.0029 |
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O7 .42252 .04791 .1718 .0101 .0121 .0077 .0104 .0026 .0007 .0007 |
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O1 0 .04359 .3220 .0109 .0159 .0060 .0108 0 0 -.0012 |
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H 0 .077 .313 .05 |
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F1 .30215 .25 .1643 .0113 .0130 .0103 .0106 0 .0012 0 |
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F2 .17678 .05164 .3728 .0161 .0191 .0141 .0153 -.0043 .0013 -.0026 |
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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 (permalink) |
| |
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Total number of retrieved datasets: 