|
Majorite |
 |
Hazen R M, Downs R T, Finger L W, Conrad P G, Gasparik T |
 |
American Mineralogist 79 (1994) 581-584 |
|
Crystal chemistry of Ca-bearing majorite |
|
Locality: synthetic |
|
_database_code_amcsd 0001663 |
|
11.5816 11.5816 11.5288 90 90 90 *I4_1/a |
|
.5 .25 .125 |
|
atom x y z occ Biso |
|
MgD1 .1265 .0137 .2576 .917 .83 |
|
CaD1 .1265 .0137 .2576 .083 .83 |
|
MgD2 0 .25 .6258 .677 2.20 |
|
CaD2 0 .25 .6258 .323 2.20 |
|
MgO1 0 0 .5 .44 |
|
SiO2 0 0 0 .44 |
|
SiT1 0 .25 .375 .59 |
|
SiT2 0 .25 .875 .59 |
|
SiT3 .1259 .0072 .7575 .59 |
|
O1 .0251 .0524 .6666 .61 |
|
O2 .0420 -.0462 .8635 .61 |
|
O3 .2212 .1100 .7934 .61 |
|
O4 .2172 -.0839 .7026 .61 |
|
O5 -.0530 .1585 .4697 .61 |
|
O6 -.1024 .2141 .7842 .61 |
|
|
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| |
|
Phenakite |
|
Downs J W, Gibbs G V |
|
American Mineralogist 72 (1987) 769-777 |
|
An exploratory examination of the electron density and electrostatic potential |
|
of phenakite |
|
_database_code_amcsd 0001110 |
|
12.472 12.472 8.251 90 90 120 R-3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .19562 .98402 .74990 .0035 .0030 .00300 .00141 .00005 .00014 |
|
Be1 .1943 .9841 .4156 .0052 .0055 .0048 .0026 -.0005 .0003 |
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Be2 .1941 .9822 .0846 .0045 .0056 .0053 .0023 -.0001 -.0000 |
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O1 .20975 .12125 .7503 .0075 .0042 .0036 .0037 .0000 -.0003 |
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O2 .33382 .00040 .74991 .0027 .0044 .0059 .0017 -.0002 -.0003 |
|
O3 .12223 .91217 .91497 .0043 .0047 .0035 .0014 .0003 .0001 |
|
O4 .12228 .91342 .58495 .0040 .0047 .0035 .0010 -.0002 -.0003 |
|
|
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| |
|
Bertrandite |
|
Downs J W, Ross F K |
|
American Mineralogist 72 (1987) 979-983 |
|
Neutron-diffraction study of bertrandite |
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Note: O2y has been corrected |
|
_database_code_amcsd 0001126 |
|
8.7135 15.268 4.5683 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .3251 .1141 .6540 .0103 .0030 .0090 -.0008 -.0004 .0000 |
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Be1 .1726 .05249 .1562 .0104 .0054 .0107 .0008 -.0007 -.0006 |
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Be2 .3264 .22023 .1509 .0126 .0059 .0111 .0003 -.0005 .0013 |
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H1 0 .2006 .4203 .0210 .0289 .0351 0 0 -.0176 |
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H2 .5 .3675 .4530 .0295 .0250 .0407 0 0 -.0153 |
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O1 .2899 .1243 0 .0136 .0042 .0096 -.0015 .0018 -.0005 |
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O2 .2095 .0430 .5065 .0126 .0053 .0101 -.0020 -.0012 .0003 |
|
O3 .2938 .2091 .5012 .0153 .0047 .0099 .0015 -.006 .0005 |
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O4 .5 .0847 .5916 .0077 .0092 .0172 0 0 -.0027 |
|
O5 .5 .2553 .0877 .0105 .0101 .0158 0 0 .0028 |
|
O6 0 .0876 .0978 .0122 .0104 .0137 0 0 .0011 |
|
|
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| |
|
Andradite |
|
Kingma K J, Downs J W |
|
American Mineralogist 74 (1989) 1307-1316 |
|
Crystal-structure analysis of a birefringent andradite |
|
_database_code_amcsd 0001281 |
|
12.048 12.048 12.048 90 90 90 I-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .1251 .0001 .2498 0.0006 0.0010 0.0009 .0001 -.0002 .0001 |
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Ca2 .2496 .1252 .0001 0.0010 0.0007 0.0010 .0000 .0000 .0000 |
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Ca3 -.0001 .2498 .1252 0.0008 0.0012 0.0007 .0001 .0002 -.0003 |
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Ca4 .6250 .0001 .2501 0.0005 0.0010 0.0007 -.0002 .0003 .0000 |
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Ca5 .2499 .6250 -.0001 0.0008 0.0005 0.0008 .0002 -.0001 .0000 |
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Ca6 .0000 .2500 .6251 0.0009 0.0008 0.0004 .0000 .0000 .0002 |
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Fe1 0 0 0 .88 0.0007 0.0008 0.0006 -.0001 .0000 -.0001 |
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Fe2 0 .5 .5 .99 0.0004 0.0005 0.0009 .0003 -.0002 -.0001 |
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Fe3 .5 0 .5 .91 0.0008 0.0006 0.0004 -.0001 -.0001 .0001 |
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Fe4 .5 .5 0 .98 0.0004 0.0006 0.0003 .0001 .0002 .0001 |
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Fe5 .25 .25 .25 .89 0.0007 0.0007 0.0008 -.0001 -.0002 .0000 |
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Fe6 .25 .75 .75 .92 0.0006 0.0009 0.0003 -.0003 .0001 .0003 |
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Fe7 .75 .25 .75 .98 0.0005 0.0006 0.0007 .0003 .0000 -.0001 |
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Fe8 .75 .75 .25 .99 0.0008 0.0007 0.0005 .0001 .0001 -.0001 |
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Si1 .3751 .0000 .2501 0.0004 0.0007 0.0007 .0000 .0001 -.0002 |
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Si2 .2497 .3751 -.0001 0.0005 0.0007 0.0008 .0002 .0000 -.0003 |
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Si3 -.0001 .2498 .3751 0.0008 0.0008 0.0005 .0001 -.0002 .0002 |
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Si4 .8750 .0005 .2496 0.0009 0.0008 0.0008 .0000 -.0003 .0000 |
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Si5 .2496 .8753 .0000 0.0010 0.0008 0.0005 -.0003 -.0002 .0003 |
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Si6 -.0001 .2498 .8755 0.0005 0.0007 0.0008 .0001 .0001 -.0002 |
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O1 .0391 .0490 .6556 0.41 |
|
O2 .5391 .4523 .3451 0.51 |
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O3 .9604 .5493 .8446 0.38 |
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O4 .4612 .9519 .1550 0.46 |
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O5 .6551 .0383 .0495 0.41 |
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O6 .1553 .4612 .9516 0.47 |
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O7 .3450 .5393 .4516 0.55 |
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O8 .8442 .9607 .5491 0.39 |
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O9 .0490 .6549 .0396 0.45 |
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O10 .5486 .8448 .9600 0.43 |
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O11 .9507 .1555 .4607 0.50 |
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O12 .4519 .3449 .5396 0.51 |
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O13 .2891 .9057 .2989 0.48 |
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O14 .7894 .5950 .7021 0.51 |
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O15 .7101 .4058 .2010 0.53 |
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O16 .2109 .0948 .7983 0.40 |
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O17 .2989 .2887 .9055 0.48 |
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O18 .7990 .2107 .0943 0.39 |
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O19 .7013 .7900 .5946 0.53 |
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O20 .2012 .7107 .4059 0.52 |
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O21 .9052 .2995 .2885 0.52 |
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O22 .4049 .2015 .7114 0.52 |
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O23 .0943 .7991 .2107 0.47 |
|
O24 .5947 .7018 .7894 0.50 |
|
|
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| |
|
Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
|
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
|
disorder |
|
Sample: SUNY 859 |
|
_database_code_amcsd 0001624 |
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8.0709 8.0709 8.0709 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .125 .125 .125 .00199 .00199 .00199 0 0 0 |
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Mg .5 .5 .5 .00263 .00263 .00263 -.00016 -.00016 -.00016 |
|
O .2441 .2441 .2441 .00197 .00197 .00197 -.00004 -.00004 -.00004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
|
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
|
disorder |
|
Sample: SUNY 1013 |
|
_database_code_amcsd 0001625 |
|
8.1763 8.1763 8.1763 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .00144 .00144 .00144 0 0 0 |
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Mg .5 .5 .5 .383 .00192 .00192 .00192 .00004 .00004 .00004 |
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Fe .5 .5 .5 .617 .00192 .00192 .00192 .00004 .00004 .00004 |
|
O .2420 .2420 .2420 .00212 .00212 .00212 .00001 .00001 .00001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
|
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
|
disorder |
|
Sample: SUNY 1097 |
|
_database_code_amcsd 0001626 |
|
8.2030 8.2030 8.2030 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .125 .125 .125 .00147 .00147 .00147 0 0 0 |
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Mg .5 .5 .5 .21 .00180 .00180 .00180 .00001 .00001 .00001 |
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Fe .5 .5 .5 .79 .00180 .00180 .00180 .00001 .00001 .00001 |
|
O .2415 .2415 .2415 .00209 .00209 .00209 -.00007 -.00007 -.00007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
|
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
|
disorder |
|
Sample: SUNY 1102 |
|
_database_code_amcsd 0001627 |
|
8.2059 8.2059 8.2059 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .125 .125 .125 .00157 .00157 .00157 0 0 0 |
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Mg .5 .5 .5 .218 .00208 .00208 .00208 .00002 .00002 .00002 |
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Fe .5 .5 .5 .782 .00208 .00208 .00208 .00002 .00002 .00002 |
|
O .2418 .2418 .2418 .00212 .00212 .00212 .00037 .00037 .00037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
|
P = room pressure |
|
Locality: Ellora Caves, India |
|
_database_code_amcsd 0001629 |
|
4.9717 4.9717 6.9223 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .30028 .30028 0 .0077 .0077 .00401 -.0003 .0008 -.0008 |
|
O .2392 .1044 .1787 .0244 .0086 .0062 -.0013 .0027 .0005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
|
P = 0.19 GPa |
|
Locality: Ellora Caves, India |
|
_database_code_amcsd 0001630 |
|
4.9501 4.9501 6.8760 90 90 90 P4_12_12 |
|
atom x y z Biso |
|
Si .3027 .3027 0 .80 |
|
O .2388 .1086 .1817 1.22 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
|
P = 0.73 GPa |
|
Locality: Ellora Caves, India |
|
_database_code_amcsd 0001631 |
|
4.9028 4.9028 6.7782 90 90 90 P4_12_12 |
|
atom x y z Biso |
|
Si .3086 .3086 0 .63 |
|
O .2364 .1198 .1870 1.07 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
|
P = 1.05 GPa |
|
Locality: Ellora Caves, India |
|
_database_code_amcsd 0001632 |
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4.8757 4.8757 6.7163 90 90 90 P4_12_12 |
|
atom x y z Biso |
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Si .3125 .3125 0 .51 |
|
O .2356 .1269 .1904 1.12 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = 0, complete data set |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001682 |
|
8.1372 12.787 7.1574 94.245 116.605 87.809 C-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al .008871 .168353 .208446 .003338 .001017 .003857 -.000249 .001828 .000082 |
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Si1m .003705 .820297 .237070 .003248 .000936 .003253 .000273 .001558 .000195 |
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Si2o .691614 .110197 .314831 .002986 .000819 .004423 .000003 .001521 .000180 |
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Si2m .681580 .881758 .360403 .002803 .000862 .004429 .000110 .001562 .000259 |
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Na .268233 .989297 .146106 .005908 .006434 .016852 -.000885 .004068 -.006040 |
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O(A1) .005227 .131136 .967327 .007137 .001633 .004859 -.000025 .003387 .000532 |
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O(A2) .591863 .997055 .280401 .003567 .001000 .005977 -.000079 .001449 .000442 |
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O(B)o .812676 .109738 .190971 .005557 .001782 .008634 -.000638 .004309 -.000318 |
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O(B)m .820129 .850983 .258483 .005818 .002325 .011244 .000916 .005770 .000292 |
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O(C)o .012877 .301867 .270911 .004959 .001163 .007863 -.000305 .002748 -.000015 |
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O(C)m .023369 .693554 .228850 .004581 .001082 .008161 .000433 .001824 .000354 |
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O(D)o .206807 .109074 .388991 .005404 .001715 .004827 .000512 .001054 .000400 |
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O(D)m .184026 .868037 .435997 .006104 .001866 .005118 -.000498 .000431 -.000159 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = 0, constrained data set |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001683 |
|
8.1372 12.7870 7.1574 94.245 116.605 87.809 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .269134 .989040 .148935 3.0 .00661 .00644 .01801 -.00103 .00518 -.00592 |
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Al1o .008896 .168193 .207617 .64 |
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Si1m .003984 .820432 .236646 .63 |
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Si2o .692220 .110443 .315895 .59 |
|
Si2m .681617 .881794 .360883 .61 |
|
O(A1) .006146 .131658 .968891 1.17 |
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O(A2) .591577 .997059 .278960 .77 |
|
O(B)o .813702 .110113 .195038 1.05 |
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O(B)m .818977 .850892 .256290 1.19 |
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O(C)o .012388 .301848 .269006 .96 |
|
O(C)m .023273 .693405 .227539 .92 |
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O(D)o .206430 .108942 .386309 1.19 |
|
O(D)m .180922 .868009 .428643 1.44 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = .44 GPa |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001684 |
|
8.1104 12.7710 7.1482 94.244 116.667 87.835 C-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .265985 .989646 .141112 3.6 .00639 .00629 .03100 -.00146 .00792 -.00681 |
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Al1o .008580 .168118 .208646 .66 |
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Si1m .003234 .820428 .236432 .65 |
|
Si2o .691465 .109935 .315916 .58 |
|
Si2m .680954 .881794 .363229 .58 |
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O(A1) .006703 .131482 .968873 1.10 |
|
O(A2) .589621 .997326 .279411 .72 |
|
O(B)o .811916 .109127 .191438 .99 |
|
O(B)m .818838 .851013 .256494 1.18 |
|
O(C)o .010657 .301451 .269789 .86 |
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O(C)m .024408 .694022 .233163 1.02 |
|
O(D)o .203183 .108542 .377684 1.25 |
|
O(D)m .176776 .866816 .422810 1.42 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = 1.22 GPa |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001685 |
|
8.0510 12.7336 7.1242 94.252 116.784 87.909 C-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .263883 .990707 .141914 4.2 .00916 .00576 .04824 -.00070 .01680 -.00482 |
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Al1o .007189 .167548 .206792 .57 |
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Si1m .001821 .820863 .236207 .54 |
|
Si2o .690937 .109614 .316885 .52 |
|
Si2m .676495 .881260 .360042 .56 |
|
O(A1) .005997 .131056 .970082 .93 |
|
O(A2) .584997 .996465 .276788 .48 |
|
O(B)o .810221 .106478 .188614 1.05 |
|
O(B)m .814714 .850320 .250473 1.24 |
|
O(C)o .008334 .300961 .272668 .86 |
|
O(C)m .021481 .694079 .228248 .88 |
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O(D)o .210446 .108983 .391119 1.08 |
|
O(D)m .174357 .866692 .423200 1.39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = 2.68 GPa |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001686 |
|
7.9567 12.6784 7.0897 94.217 116.992 88.025 C-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .258665 .993009 .139165 3.8 .01037 .00479 .04300 -.00013 .01596 -.00440 |
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Al1o .005804 .166405 .206524 .60 |
|
Si1m -.000254 .820598 .236094 .54 |
|
Si2o .687345 .108455 .311366 .49 |
|
Si2m .671640 .880229 .359855 .48 |
|
O(A1) .007293 .129230 .967437 .90 |
|
O(A2) .581026 .996411 .282414 .68 |
|
O(B)o .807880 .101963 .183963 .99 |
|
O(B)m .811602 .849250 .255032 1.27 |
|
O(C)o -.000742 .300211 .272186 .88 |
|
O(C)m .019268 .693517 .223978 .78 |
|
O(D)o .211417 .110305 .386304 1.32 |
|
O(D)m .178189 .868105 .429146 1.59 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Albite |
|
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 79 (1994) 1042-1052 |
|
The high-pressure crystal chemistry of low albite and the origin of the |
|
pressure dependency of Al-Si ordering |
|
P = 3.78 GPa |
|
Note: sample is from Crete |
|
_database_code_amcsd 0001687 |
|
7.8925 12.6400 7.0667 94.177 117.074 88.128 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .259554 .993991 .146231 2.4 .00585 .00467 .01862 -.00075 .00565 -.00564 |
|
Al1o .004071 .165725 .205574 .62 |
|
Si1m -.003004 .820357 .235064 .60 |
|
Si2o .684489 .107146 .307435 .57 |
|
Si2m .665743 .879248 .355477 .53 |
|
O(A1) .009339 .127420 .968440 .85 |
|
O(A2) .577834 .996000 .280509 .46 |
|
O(B)o .807883 .099549 .185352 1.04 |
|
O(B)m .805414 .848356 .250659 1.31 |
|
O(C)o -.006564 .299215 .270386 .85 |
|
O(C)m .016696 .693325 .222220 .87 |
|
O(D)o .212359 .111803 .387660 1.08 |
|
O(D)m .177043 .869401 .434067 1.34 |
|
|
| Download AMC data (View Text File)
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| |
|
Pb(Al,Si)4O8 |
| |
Downs R T, Hazen R M, Finger L W |
|
American Mineralogist 80 (1995) 937-940 |
|
Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure |
|
synthetic phase with octahedral Si |
|
_database_code_amcsd 0001757 |
|
9.414 9.414 2.75 90 90 90 I4 |
|
atom x y z occ Biso |
|
Pb1 .0435 0 .4146 .466 1.5 |
|
Pb2 0 0 .7179 .334 1.5 |
|
Si .3510 .1638 0 .6 .61 |
|
Al .3510 .1638 0 .4 .61 |
|
O1 .1546 .2016 0 .4 |
|
O2 .5418 .1641 0 .4 |
|
|
| Download AMC data (View Text File)
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| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #0, P = 0.0 GPa |
|
_database_code_amcsd 0001777 |
|
4.8168 10.4317 5.9650 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .431128 .091110 .25 .004852 .000976 .002874 -.000075 0 0 |
|
Li 0 0 0 .013797 .004417 .007966 -.000998 .000629 -.001532 |
|
Sc .992305 .274328 .25 .005292 .000912 .002660 .000070 0 0 |
|
O1 .763143 .101286 .25 .006870 .001418 .004258 -.000431 0 0 |
|
O2 .195412 .447740 .25 .005916 .001311 .005503 .000020 0 0 |
|
O3 .282129 .168450 .040062 .008008 .001507 .003193 .000040 .000551 .000487 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #1, P = 0.06 GPa |
|
_database_code_amcsd 0001778 |
|
4.8189 10.4373 5.9695 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4315516 .0910095 .25 .44 |
|
Li 0 0 0 1.6 |
|
Sc .9926115 .2743784 .25 .38 |
|
O1 .7646101 .1009603 .25 .57 |
|
O2 .1965941 .4478585 .25 .57 |
|
O3 .2845206 .1678772 .0399179 .48 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 0.21 GPa |
|
_database_code_amcsd 0001779 |
|
4.8198 10.4378 5.9699 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4316791 .0911674 .25 .38 |
|
Li 0 0 0 1.6 |
|
Sc .9922526 .2742862 .25 .42 |
|
O1 .7655473 .1006997 .25 .51 |
|
O2 .1990408 .4470757 .25 .64 |
|
O3 .2844428 .1680092 .0399152 .54 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 0.23 GPa |
|
_database_code_amcsd 0001780 |
|
4.8190 10.4333 5.9672 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4321413 .0909888 .25 .48 |
|
Li 0 0 0 1.3 |
|
Sc .9917196 .2745792 .25 .37 |
|
O1 .7628070 .1001960 .25 .62 |
|
O2 .2002338 .4477317 .25 .48 |
|
O3 .2826551 .1683509 .0392019 .44 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 0.99 GPa |
|
_database_code_amcsd 0001781 |
|
4.8040 10.4117 5.9533 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4314391 .0902022 .25 .47 |
|
Li 0 0 0 1.6 |
|
Sc .9908078 .2741909 .25 .42 |
|
O1 .7637825 .0991790 .25 .68 |
|
O2 .1974812 .4470900 .25 .58 |
|
O3 .2821274 .1683816 .0393386 .67 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #1, P = 1.46 GPa |
|
_database_code_amcsd 0001782 |
|
4.7996 10.3925 5.9443 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4301067 .0902736 .25 .38 |
|
Li 0 0 0 2.0 |
|
Sc .9914462 .2741655 .25 .31 |
|
O1 .7628687 .0996600 .25 .64 |
|
O2 .1986488 .4465256 .25 .34 |
|
O3 .2821949 .1673254 .0398317 .38 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 2.17 GPa |
|
_database_code_amcsd 0001783 |
|
4.7918 10.3784 5.9365 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4307365 .0903482 .25 .46 |
|
Li 0 0 0 1.3 |
|
Sc .9906455 .2739263 .25 .38 |
|
O1 .7619395 .0995701 .25 .54 |
|
O2 .2019074 .4462019 .25 .47 |
|
O3 .2804476 .1673280 .0384211 .53 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 3.02 GPa |
|
_database_code_amcsd 0001784 |
|
4.7802 10.3514 5.9224 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4295265 .0895102 .25 .38 |
|
Li 0 0 0 1.2 |
|
Sc .9897961 .2739084 .25 .32 |
|
O1 .7585185 .0985864 .25 .43 |
|
O2 .2014213 .4459190 .25 .41 |
|
O3 .2763462 .1672952 .0390355 .37 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 3.72 GPa |
|
_database_code_amcsd 0001785 |
|
4.7717 10.3320 5.9128 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4293633 .0892922 .25 .46 |
|
Li 0 0 0 1.2 |
|
Sc .9893761 .2739497 .25 .37 |
|
O1 .7633687 .0986614 .25 .57 |
|
O2 .2065014 .4444102 .25 .51 |
|
O3 .2789554 .1663961 .0388826 .50 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 4.51 GPa |
|
_database_code_amcsd 0001786 |
|
4.7611 10.3072 5.9006 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4280926 .0885396 .25 .39 |
|
Li 0 0 0 1.1 |
|
Sc .9875963 .2736048 .25 .35 |
|
O1 .7620447 .0977352 .25 .55 |
|
O2 .2060464 .4450398 .25 .74 |
|
O3 .2758902 .1670388 .0382092 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
LiScSiO4 |
| |
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 81 (1996) 327-334 |
|
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic |
|
compression |
|
Sample: #2, P = 5.15 GPa |
|
_database_code_amcsd 0001787 |
|
4.7535 10.2864 5.8895 90 90 90 Pbnm |
|
atom x y z Biso |
|
Si .4266061 .0882744 .25 .36 |
|
Li 0 0 0 1.2 |
|
Sc .9867975 .2735075 .25 .32 |
|
O1 .7587351 .0968072 .25 .49 |
|
O2 .2073437 .4444884 .25 .57 |
|
O3 .2747774 .1666546 .0382006 .46 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kyanite |
|
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
|
American Mineralogist 82 (1997) 467-474 |
|
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
|
Sample: at P = 0.0 GPa, in air |
|
_database_code_amcsd 0001892 |
|
7.1200 7.8479 5.5738 89.974 101.117 106.000 P-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .32533 .70412 .45812 .00143 .00142 .00204 .00038 .00040 .00038 |
|
Al2 .29740 .69882 .95040 .00169 .00099 .00210 .00038 .00049 .00000 |
|
Al3 .09980 .38615 .64043 .00157 .00080 .00270 .00033 .00051 .00032 |
|
Al4 .11205 .91750 .16469 .00168 .00095 .00276 .00054 .00056 .00028 |
|
Si1 .29625 .06488 .70657 .00114 .00081 .00219 .00028 .00049 .00001 |
|
Si2 .29102 .33168 .18937 .00122 .00084 .00196 .00032 .00027 .00005 |
|
O1 .10933 .14685 .12866 .00227 .00120 .00378 .00039 .00028 -.00010 |
|
O2 .12287 .68535 .18113 .00178 .00096 .00299 .00040 .00063 .00021 |
|
O3 .27507 .45443 .95474 .00225 .00129 .00301 .00051 .00031 .00019 |
|
O4 .28353 .93570 .93567 .00215 .00122 .00318 .00066 .00099 .00033 |
|
O5 .10836 .15210 .66671 .00162 .00146 .00343 .00052 .00087 .00032 |
|
O6 .12192 .63063 .63939 .00176 .00134 .00245 .00054 .00047 .00002 |
|
O7 .28226 .44512 .42868 .00219 .00147 .00290 .00063 .00094 -.00021 |
|
O8 .29156 .94684 .46574 .00234 .00140 .00288 .00077 .00049 -.00010 |
|
O9 .50074 .27519 .24405 .00177 .00192 .00281 .00078 .00062 .00015 |
|
O10 .50154 .23099 .75595 .00166 .00165 .00261 .00078 .00051 .00014 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kyanite |
|
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
|
American Mineralogist 82 (1997) 467-474 |
|
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
|
Sample: at P = 1.35 GPa |
|
_database_code_amcsd 0001893 |
|
7.1038 7.8305 5.5605 90.023 101.112 106.001 P-1 |
|
atom x y z Biso |
|
Al1 .3249 .7041 .4581 .43 |
|
Al2 .2972 .6989 .9499 .35 |
|
Al3 .0996 .3861 .6405 .37 |
|
Al4 .1114 .9171 .1639 .37 |
|
Si1 .2964 .0647 .7067 .38 |
|
Si2 .2922 .3324 .1911 .35 |
|
O1 .1092 .1480 .1296 .37 |
|
O2 .1215 .6844 .1786 .46 |
|
O3 .2748 .4546 .9550 .42 |
|
O4 .2837 .9361 .9367 .44 |
|
O5 .1080 .1516 .6670 .46 |
|
O6 .1213 .6310 .6403 .45 |
|
O7 .2821 .4455 .4297 .45 |
|
O8 .2915 .9476 .4657 .44 |
|
O9 .5005 .2743 .2445 .57 |
|
O10 .5015 .2320 .7555 .57 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kyanite |
|
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
|
American Mineralogist 82 (1997) 467-474 |
|
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
|
Sample: at P = 2.54 GPa |
|
_database_code_amcsd 0001894 |
|
7.0896 7.8173 5.5497 90.031 101.098 105.987 P-1 |
|
atom x y z Biso |
|
Al1 .3245 .7038 .4572 .42 |
|
Al2 .2973 .6990 .9507 .38 |
|
Al3 .0997 .3862 .6408 .40 |
|
Al4 .1116 .9170 .1642 .42 |
|
Si1 .2964 .0646 .7057 .36 |
|
Si2 .2918 .3322 .1906 .39 |
|
O1 .1096 .1477 .1308 .52 |
|
O2 .1223 .6838 .1786 .41 |
|
O3 .2762 .4552 .9556 .39 |
|
O4 .2838 .9368 .9372 .52 |
|
O5 .1082 .1518 .6679 .43 |
|
O6 .1216 .6312 .6400 .54 |
|
O7 .2817 .4452 .4291 .59 |
|
O8 .2923 .9480 .4659 .45 |
|
O9 .5005 .2731 .2440 .62 |
|
O10 .5013 .2315 .7553 .58 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kyanite |
|
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
|
American Mineralogist 82 (1997) 467-474 |
|
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
|
Sample: at P = 3.73 GPa |
|
_database_code_amcsd 0001895 |
|
7.0750 7.8027 5.5367 90.063 101.091 105.985 P-1 |
|
atom x y z Biso |
|
Al1 .3241 .7034 .4560 .41 |
|
Al2 .2985 .6994 .9524 .36 |
|
Al3 .1001 .3866 .6413 .34 |
|
Al4 .1124 .9176 .1652 .36 |
|
Si1 .2959 .0650 .7054 .33 |
|
Si2 .2919 .3321 .1910 .38 |
|
O1 .1085 .1478 .1299 .53 |
|
O2 .1213 .6837 .1780 .50 |
|
O3 .2763 .4551 .9547 .43 |
|
O4 .2838 .9366 .9376 .35 |
|
O5 .1083 .1522 .6671 .50 |
|
O6 .1203 .6310 .6400 .34 |
|
O7 .2822 .4456 .4292 .48 |
|
O8 .2925 .9479 .4657 .43 |
|
O9 .5011 .2730 .2439 .48 |
|
O10 .5012 .2327 .7555 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kyanite |
|
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
|
American Mineralogist 82 (1997) 467-474 |
|
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
|
Sample: at P = 4.56 GPa |
|
_database_code_amcsd 0001896 |
|
7.0648 7.7926 5.5299 90.089 101.085 105.982 P-1 |
|
atom x y z Biso |
|
Al1 .3243 .7035 .4565 .39 |
|
Al2 .2976 .6988 .9503 .38 |
|
Al3 .0998 .3861 .6403 .37 |
|
Al4 .1123 .9178 .1649 .33 |
|
Si1 .2963 .0651 .7056 .34 |
|
Si2 .2925 .3326 .1915 .36 |
|
O1 .1089 .1477 .1322 .44 |
|
O2 .1209 .6825 .1780 .39 |
|
O3 .2764 .4546 .9538 .40 |
|
O4 .2844 .9355 .9380 .43 |
|
O5 .1090 .1524 .6697 .40 |
|
O6 .1209 .6309 .6401 .27 |
|
O7 .2839 .4463 .4299 .53 |
|
O8 .2924 .9476 .4651 .47 |
|
O9 .5018 .2729 .2438 .43 |
|
O10 .5013 .2339 .7559 .62 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 0, in air |
|
_database_code_amcsd 0002214 |
|
7.83860 12.37330 6.80740 93.31900 116.36800 92.04000 C-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .258203 .007570 .133024 .004994 .003238 .011032 .000343 .002353 -.002277 |
|
B .012136 .161728 .221577 .002665 .000759 .003908 -.000107 .001309 .000030 |
|
Si1m .005847 .809643 .209724 .002503 .000718 .003272 .000274 .001197 .000165 |
|
Si2o .702788 .101809 .320489 .002367 .000596 .004091 -.000003 .001143 .000029 |
|
Si2m .684884 .864530 .354472 .002402 .000641 .003731 .000178 .001195 .000179 |
|
O(A1) .007803 .136518 .004126 .005242 .001130 .004550 .000207 .002321 .000199 |
|
O(A2) .593308 .981231 .275837 .002781 .000655 .006050 .000091 .001100 .000366 |
|
O(B)o .844947 .098941 .211170 .004927 .001207 .008694 -.000732 .004315 -.000545 |
|
O(B)m .816291 .834850 .233509 .004319 .001681 .008045 .000557 .003641 .000347 |
|
O(C)o .006614 .276454 .273598 .003832 .000859 .007981 -.000161 .003015 -.000191 |
|
O(C)m .028745 .679571 .206233 .003962 .000918 .006327 .000628 .001157 .000208 |
|
O(D)o .190273 .118399 .382777 .004384 .001668 .004108 .000990 .001039 .000160 |
|
O(D)m .192181 .867803 .417224 .004238 .001476 .004537 -.000219 .000711 -.000116 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 0.00 GPa, in cell |
|
_database_code_amcsd 0002215 |
|
7.8389 12.3715 6.8065 93.311 116.363 92.043 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .25866 .00757 .13442 .005139 .003374 .006909 .000735 .001631 -.000999 |
|
B .01340 .16114 .22209 .53 |
|
Si1m .00624 .80987 .20976 .53 |
|
Si2o .70291 .10201 .32052 .50 |
|
Si2m .68571 .86460 .35660 .49 |
|
O(A1) .00705 .13697 .00166 .84 |
|
O(A2) .59274 .98109 .27505 .60 |
|
O(B)o .84479 .09912 .21180 .85 |
|
O(B)m .81586 .83462 .23184 .96 |
|
O(C)o .00621 .27687 .27265 .64 |
|
O(C)m .02949 .67977 .20669 .76 |
|
O(D)o .19037 .11875 .38274 .98 |
|
O(D)m .19072 .86760 .41510 1.03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 0.88 GPa |
|
_database_code_amcsd 0002216 |
|
7.7852 12.3419 6.7917 93.332 116.347 92.094 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .257191 .008039 .131522 .00608 .00308 .01286 .00066 .00407 -.001590 |
|
B .013665 .160563 .222208 .65 |
|
Si1m .005359 .809869 .208540 .60 |
|
Si2o .702294 .101146 .321555 .55 |
|
Si2m .682768 .863989 .355133 .49 |
|
O(A1) .006014 .136224 .000632 .87 |
|
O(A2) .589366 .980622 .275580 .65 |
|
O(B)o .845638 .095986 .213191 .81 |
|
O(B)m .814823 .835100 .233778 1.01 |
|
O(C)o .003261 .275582 .272082 .68 |
|
O(C)m .028764 .679701 .204011 .85 |
|
O(D)o .192525 .119462 .382786 1.06 |
|
O(D)m .190407 .867657 .412472 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 1.89 GPa |
|
_database_code_amcsd 0002217 |
|
7.7231 12.3038 6.7719 93.364 116.316 92.145 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .256007 .008238 .130880 .00621 .00294 .01495 .00048 .00478 -.00211 |
|
B .011833 .159645 .218587 .6 |
|
Si1m .005236 .809963 .208893 .56 |
|
Si2o .701038 .100160 .321127 .52 |
|
Si2m .679848 .863324 .354838 .49 |
|
O(A1) .007518 .135041 .002780 .79 |
|
O(A2) .583343 .979410 .269840 .51 |
|
O(B)o .845831 .092623 .211736 .77 |
|
O(B)m .811704 .834473 .230657 .92 |
|
O(C)o -.000956 .274104 .271487 .73 |
|
O(C)m .027516 .679251 .200578 .81 |
|
O(D)o .195249 .120202 .383200 .97 |
|
O(D)m .192656 .868610 .414724 1.14 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 3.00 GPa |
|
_database_code_amcsd 0002218 |
|
7.6589 12.2675 6.7512 93.374 116.256 92.222 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .254374 .008769 .128849 .00658 .00283 .01729 .00096 .00589 -.00121 |
|
B .012769 .158859 .222044 .58 |
|
Si1m .005232 .810082 .208523 .56 |
|
Si2o .699215 .099025 .319224 .53 |
|
Si2m .676047 .862364 .353928 .54 |
|
O(A1) .008001 .134997 .004191 .87 |
|
O(A2) .581581 .979951 .274584 .51 |
|
O(B)o .848203 .089755 .216070 .78 |
|
O(B)m .810335 .833451 .229191 .95 |
|
O(C)o -.005648 .272837 .270184 .65 |
|
O(C)m .026831 .679024 .200100 .91 |
|
O(D)o .198086 .121144 .383188 1.02 |
|
O(D)m .195121 .868926 .417785 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 3.64 GPa |
|
_database_code_amcsd 0002219 |
|
7.6194 12.2465 6.7389 93.392 116.222 92.263 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .254129 .008965 .129957 .00674 .00298 .01595 .00087 .00514 -.00133 |
|
B .011828 .158118 .220194 .56 |
|
Si1m .004593 .810089 .207102 .61 |
|
Si2o .699207 .098570 .320676 .61 |
|
Si2m .673758 .861752 .352903 .61 |
|
O(A1) .005326 .133968 .999846 .83 |
|
O(A2) .578476 .978808 .271898 .71 |
|
O(B)o .848591 .087720 .217107 .87 |
|
O(B)m .811086 .833418 .233406 .92 |
|
O(C)o -.007471 .272235 .272288 .70 |
|
O(C)m .026856 .678775 .198746 .97 |
|
O(D)o .200226 .121600 .383605 1.05 |
|
O(D)m .194992 .869007 .414806 1.09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Reedmergnerite |
|
Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T |
|
American Mineralogist 84 (1999) 333-340 |
|
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite |
|
Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 |
|
P = 4.68 GPa |
|
_database_code_amcsd 0002220 |
|
7.5790 12.2200 6.7141 93.373 116.303 92.345 C-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .253368 .009631 .127961 .00592 .00253 .01468 .00009 .00458 -.00257 |
|
B .012855 .156589 .219688 .549 |
|
Si1m .005519 .809759 .209219 .565 |
|
Si2o .698555 .097933 .319925 .505 |
|
Si2m .671488 .861053 .351654 .523 |
|
O(A1) .006347 .133283 .003218 .830 |
|
O(A2) .574766 .978268 .268754 .618 |
|
O(B)o .848393 .085455 .216430 .783 |
|
O(B)m .809339 .832534 .229547 .909 |
|
O(C)o -.011615 .271404 .269653 .695 |
|
O(C)m .026480 .678608 .193596 .798 |
|
O(D)o .201787 .122264 .382683 .921 |
|
O(D)m .194511 .869071 .413515 1.04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 0 GPa |
|
_database_code_amcsd 0002791 |
|
12.5731 12.5731 12.5731 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0021 .00151 .00151 0 0 .0000 |
|
Al 0 0 0 .00138 .00138 .00138 -.0000 -.0000 -.0000 |
|
SiT .375 0 .25 0 |
|
OH .0285 .0522 .6402 .0026 .0020 .0016 -.0001 .0001 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 2.15 GPa |
|
_database_code_amcsd 0002792 |
|
12.4286 12.4286 12.4286 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0021 .00125 .00125 0 0 .0001 |
|
Al 0 0 0 .00133 .00133 .00133 .0001 .0001 .0001 |
|
SiT .375 0 .25 0 |
|
OH .0289 .0530 .6410 .0023 .0022 .0013 -.0004 -.0001 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 4.21 GPa |
|
_database_code_amcsd 0002793 |
|
12.3094 12.3094 12.3094 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0027 .00148 .00148 0 0 .0002 |
|
Al 0 0 0 .00144 .00144 .00144 .0000 .0000 .0000 |
|
SiT .375 0 .25 0 |
|
OH .0299 .0529 .6414 .0025 .0019 .0016 -.0003 -.0002 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 5.09 GPa |
|
_database_code_amcsd 0002794 |
|
12.2595 12.2595 12.2595 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0034 .00163 .00163 0 0 -.0001 |
|
Al 0 0 0 .00172 .00172 .00172 .0001 .0001 .0001 |
|
SiT .375 0 .25 0 |
|
OH .0306 .0528 .6421 .0028 .0023 .0020 -.0003 -.0005 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 6.00 GPa |
|
_database_code_amcsd 0002795 |
|
12.2145 12.2145 12.2145 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0040 .0015 .0015 0 0 -.0004 |
|
Al 0 0 0 .0019 .0019 .0019 .0002 .0002 .0002 |
|
SiT .375 0 .25 0 |
|
OH .0310 .0527 .6423 .0026 .0022 .0019 -.0005 .0002 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 6.00 GPa |
|
_database_code_amcsd 0002796 |
|
12.2145 12.2145 12.2145 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1342 0 .25 .0022 .0012 .0019 0 0 -.0000 |
|
Al .0024 .0024 .0024 .00163 .00163 .00163 -.0000 -.0000 -.0000 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0339 .0510 .6381 .0012 .0029 .0018 -.0005 .0005 .0001 |
|
OH2 .1465 .9717 .0536 .0018 .0044 .0016 .0003 -.0006 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 7.09 GPa |
|
_database_code_amcsd 0002797 |
|
12.1623 12.1623 12.1623 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1354 0 .25 .0022 .0015 .0016 0 0 .0004 |
|
Al .0039 .0039 .0039 .00118 .00118 .00118 -.0003 -.0003 -.0003 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0340 .0533 .6386 .0023 .0013 .0013 -.0001 -.0008 .0004 |
|
OH2 .1468 .9719 .0518 .0014 .0029 .0030 -.0009 -.0004 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 7.78 GPa |
|
_database_code_amcsd 0002798 |
|
12.1267 12.1267 12.1267 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1370 0 .25 .0016 .0014 .0015 0 0 .0004 |
|
Al .0032 .0032 .0032 .00127 .00127 .00127 -.0001 -.0001 -.0001 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0356 .0528 .6388 .0021 .0016 .0014 -.0007 .0002 .0002 |
|
OH2 .1476 .9732 .0538 .0017 .0027 .0019 .0001 -.0008 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #1 based on HCP stacking sequence ABAB. Has the bonding topology of |
|
observed HT-C2/c pyroxenes. |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0002996 |
|
7.3936910 6 3.4641016 90 117.9383 90 C2/c |
|
atom x y z |
|
Mg1 0 11/12 1/4 |
|
Mg2 0 .25 1/4 |
|
Si 5/16 1/12 19/48 |
|
O1 1/8 1/12 5/24 |
|
O2 3/8 .25 7/24 |
|
O3 3/8 11/12 7/24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #2 based on stacking sequence ABAC. Ideal analogue of protopyroxene, |
|
high-P protopyroxene. |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0002997 |
|
6.5319726 6 3.4641016 90 90 90 *P2_1cn |
|
0 .25 0 |
|
atom x y z |
|
Mg1 0 1/12 2/3 |
|
Mg2 0 .25 1/6 |
|
SiA 11/16 11/12 5/6 |
|
SiB 5/16 1/12 0 |
|
O1A 7/8 11/12 5/6 |
|
O1B 1/8 1/12 0 |
|
O2A 5/8 3/4 0 |
|
O2B 3/8 .25 1/6 |
|
O3A 5/8 11/12 1/2 |
|
O3B 3/8 11/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #3a based on stacking sequence ABABCACABCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0002998 |
|
6.6332495 6 3.4641016 90 100.0250 90 P2/c |
|
atom x y z |
|
SiA 11/16 7/12 5/16 |
|
SiB 13/16 11/12 1/48 |
|
Mg1a 0 7/12 3/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b 1/2 1/12 3/4 |
|
Mg2b 1/2 3/4 3/4 |
|
O1A 7/8 7/12 3/8 |
|
O2A 5/8 3/4 11/24 |
|
O3A 5/8 5/12 11/24 |
|
O1B 5/8 1/12 11/24 |
|
O2B 7/8 .25 3/8 |
|
O3B 7/8 11/12 3/8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #3b based on stacking sequence ABABCACABCBC. Ideal analogue of low |
|
clinopyroxene. |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0002999 |
|
6.9282032 6 3.4641016 90 109.4712 90 P2_1/c |
|
atom x y z |
|
SiA 1/16 1/3 3/8 |
|
SiB 9/16 5/6 5/24 |
|
Mg1 .25 2/3 1/6 |
|
Mg2 .25 0 1/6 |
|
O1A 7/8 1/3 1/4 |
|
O1B 3/8 5/6 1/12 |
|
O2A 1/8 1/2 1/4 |
|
O2B 5/8 0 5/12 |
|
O3A 1/8 1/3 3/4 |
|
O3B 5/8 2/3 5/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #4 based on CCP stacking sequence ABCABCABCABC. Ideal analogue of HP-C2/c |
|
pyroxene and eight-coordinaSiEd Mg2-C2/c pyroxene. |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003000 |
|
6.6332495 6.0 3.4641016 90 100.0250 90 C2/c |
|
atom x y z |
|
Si 5/16 1/12 3/16 |
|
Mg1 0 11/12 1/4 |
|
Mg2 0 .25 1/4 |
|
O1 1/8 1/12 1/8 |
|
O2 3/8 .25 3/8 |
|
O3 3/8 1/12 7/8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #5 based on stacking sequence ABABABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003001 |
|
13.063945 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 31/32 11/12 1/6 |
|
SiB 29/32 5/12 0 |
|
Mg1a 13/16 1/12 1/3 |
|
Mg2a 13/16 3/4 1/3 |
|
SiC 23/32 7/12 5/6 |
|
SiD 21/32 11/12 1/2 |
|
Mg1b 9/16 7/12 1/6 |
|
Mg2b 9/16 .25 1/6 |
|
SiE 13/32 7/12 1/2 |
|
SiF 15/32 1/12 1/3 |
|
Mg1c 5/16 1/12 2/3 |
|
Mg2c 5/16 3/4 2/3 |
|
SiG 5/32 1/12 0 |
|
SiH 7/32 5/12 1/3 |
|
Mg1d 1/16 5/12 2/3 |
|
Mg2d 1/16 .25 1/6 |
|
O1A 7/8 11/12 1/6 |
|
O2A 0 3/4 0 |
|
O3A 0 1/12 0 |
|
O1B 0 5/12 0 |
|
O2B 7/8 7/12 1/6 |
|
O3B 7/8 3/4 2/3 |
|
O1C 5/8 5/12 1/3 |
|
O2C 3/4 3/4 0 |
|
O3C 3/4 5/12 0 |
|
O1D 3/4 1/12 0 |
|
O2D 5/8 3/4 1/3 |
|
O3D 5/8 1/12 1/3 |
|
O1E 1/2 5/12 0 |
|
O2E 3/8 3/4 1/3 |
|
O3E 3/8 5/12 1/3 |
|
O1F 3/8 1/12 1/3 |
|
O2F 1/2 3/4 0 |
|
O3F 1/2 1/12 0 |
|
O1G .25 1/12 0 |
|
O2G 1/8 3/4 1/3 |
|
O3G 1/8 1/12 1/3 |
|
O1H 1/8 5/12 1/3 |
|
O2H .25 .25 1/2 |
|
O3H .25 5/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #6 based on stacking sequence ABABACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003002 |
|
13.063945 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 31/32 11/12 1/6 |
|
SiB 29/32 5/12 0 |
|
Mg1a 13/16 1/12 0 |
|
Mg2a 13/16 3/4 0 |
|
SiC 23/32 5/12 2/3 |
|
SiD 21/32 1/12 1/3 |
|
Mg1b 9/16 5/12 1/3 |
|
Mg2b 9/16 3/4 1/3 |
|
SiE 13/32 7/12 1/2 |
|
SiF 15/32 1/12 1/3 |
|
Mg1c 5/16 1/12 2/3 |
|
Mg2c 5/16 3/4 2/3 |
|
SiG 5/32 1/12 0 |
|
SiH 7/32 5/12 1/3 |
|
Mg1d 1/16 5/12 2/3 |
|
Mg2d 1/16 .25 1/6 |
|
O1A 7/8 11/12 1/6 |
|
O2A 0 3/4 0 |
|
O3A 0 1/12 0 |
|
O1B 0 5/12 0 |
|
O2B 7/8 7/12 1/6 |
|
O3B 7/8 3/4 2/3 |
|
O1C 5/8 5/12 2/3 |
|
O2C 3/4 .25 5/6 |
|
O3C 3/4 5/12 1/3 |
|
O1D 3/4 1/12 1/3 |
|
O2D 5/8 .25 1/6 |
|
O3D 5/8 11/12 1/6 |
|
O1E 1/2 5/12 0 |
|
O2E 3/8 3/4 1/3 |
|
O3E 3/8 5/12 1/3 |
|
O1F 3/8 1/12 1/3 |
|
O2F 1/2 3/4 0 |
|
O3F 1/2 1/12 0 |
|
O1G .25 1/12 0 |
|
O2G 1/8 3/4 1/3 |
|
O3G 1/8 1/12 1/3 |
|
O1H 1/8 5/12 1/3 |
|
O2H .25 .25 1/2 |
|
O3H .25 5/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #7 based on stacking sequence ABABACAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003003 |
|
13.063945 6 3.4641016 90 90 90 P2_1ca |
|
atom x y z |
|
SiA 31/32 11/12 11/12 |
|
SiB 29/32 5/12 3/4 |
|
Mg1a 5/16 1/12 5/12 |
|
Mg2a 5/16 3/4 5/12 |
|
SiC 5/32 1/12 3/4 |
|
SiD 7/32 5/12 1/12 |
|
Mg1b 1/16 5/12 5/12 |
|
Mg2b 1/16 .25 11/12 |
|
O1A 7/8 11/12 11/12 |
|
O2A 0 3/4 3/4 |
|
O3A 0 1/12 3/4 |
|
O1B 0 5/12 3/4 |
|
O2B 7/8 7/12 11/12 |
|
O3B 7/8 3/4 5/12 |
|
O1C .25 1/12 3/4 |
|
O2C 1/8 3/4 1/12 |
|
O3C 1/8 1/12 1/12 |
|
O1D 1/8 5/12 1/12 |
|
O2D .25 .25 1/4 |
|
O3D .25 5/12 3/4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #8a based on stacking sequence ABABCABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003004 |
|
13.063945 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 29/32 11/12 1/12 |
|
SiB 27/32 5/12 11/12 |
|
SiC 13/32 11/12 3/4 |
|
SiD 11/32 7/12 1/12 |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b .25 11/12 1/12 |
|
Mg2b .25 .25 1/12 |
|
Mg1c 1/2 7/12 3/4 |
|
Mg2c 1/2 .25 3/4 |
|
O1A 13/16 11/12 1/12 |
|
O2A 15/16 3/4 11/12 |
|
O3A 15/16 1/12 11/12 |
|
O1B 15/16 5/12 11/12 |
|
O2B 13/16 .25 1/12 |
|
O3B 13/16 7/12 1/12 |
|
O1C 5/16 11/12 3/4 |
|
O2C 7/16 3/4 7/12 |
|
O3C 7/16 11/12 1/12 |
|
O1D 7/16 7/12 1/12 |
|
O2D 5/16 3/4 1/4 |
|
O3D 5/16 7/12 3/4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #8b based on stacking sequence ABABCABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003005 |
|
13.063945 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 31/32 1/6 1/3 |
|
Mg1a 7/8 2/3 1/2 |
|
Mg2a 7/8 0 1/2 |
|
SiB 9/32 1/3 1/6 |
|
SiC 7/32 2/3 1/2 |
|
SiD 15/32 1/3 1/6 |
|
Mg1b 3/8 2/3 1/6 |
|
Mg2b 3/8 0 1/6 |
|
O1A 1/16 1/6 1/3 |
|
O2A 15/16 0 1/6 |
|
O3A 15/16 1/3 1/6 |
|
O1B 3/16 1/3 1/6 |
|
O2B 5/16 1/2 0 |
|
O3B 5/16 1/3 1/2 |
|
O1C 5/16 2/3 1/2 |
|
O2C 3/16 1/2 2/3 |
|
O3C 3/16 2/3 1/6 |
|
O1D 9/16 1/3 1/6 |
|
O2D 7/16 1/2 1/3 |
|
O3D 7/16 1/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #9a based on stacking sequence ABABCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003006 |
|
13.063948 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 29/32 11/12 1/12 |
|
SiB 27/32 5/12 11/12 |
|
SiC 13/32 11/12 3/4 |
|
SiD 11/32 7/12 5/12 |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b .25 11/12 1/12 |
|
Mg2b .25 .25 1/12 |
|
Mg1c 1/2 7/12 3/4 |
|
Mg2c 1/2 .25 3/4 |
|
O1A 13/16 11/12 1/12 |
|
O2A 15/16 3/4 11/12 |
|
O3A 15/16 1/12 11/12 |
|
O1B 15/16 5/12 11/12 |
|
O2B 13/16 .25 1/12 |
|
O3B 13/16 7/12 1/12 |
|
O1C 5/16 11/12 3/4 |
|
O2C 7/16 3/4 11/12 |
|
O3C 7/16 1/12 11/12 |
|
O1D 7/16 7/12 5/12 |
|
O2D 5/16 3/4 1/4 |
|
O3D 5/16 7/12 3/4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #9b based on stacking sequence ABABCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003007 |
|
13.063945 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 31/32 1/6 1/3 |
|
Mg1a 7/8 2/3 1/2 |
|
Mg2a 7/8 0 1/2 |
|
SiB 9/32 1/3 1/6 |
|
SiC 7/32 2/3 1/2 |
|
SiD 15/32 1/6 1/3 |
|
Mg1b 3/8 2/3 5/6 |
|
Mg2b 3/8 0 5/6 |
|
O1A 1/16 1/6 1/3 |
|
O2A 15/16 0 1/6 |
|
O3A 15/16 1/3 1/6 |
|
O1B 3/16 1/3 1/6 |
|
O2B 5/16 1/2 0 |
|
O3B 5/16 1/3 1/2 |
|
O1C 5/16 2/3 1/2 |
|
O2C 3/16 1/2 2/3 |
|
O3C 3/16 2/3 1/6 |
|
O1D 9/16 1/6 1/3 |
|
O2D 7/16 0 1/6 |
|
O3D 7/16 1/3 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #10 based on stacking sequence ABACBABC. Ideal analogue to orthopyroxene. |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003008 |
|
13.063945 6 3.4641016 90 90 90 *P2_1ca |
|
0 .25 0 |
|
atom x y z |
|
SiA 9/32 1/6 7/12 |
|
SiB 7/32 2/3 5/12 |
|
Mg1a 1/8 1/3 5/12 |
|
Mg2a 1/8 0 5/12 |
|
SiC 15/32 1/6 1/4 |
|
SiD 17/32 5/6 7/12 |
|
Mg1b 7/8 2/3 3/4 |
|
Mg2b 7/8 1/2 1/4 |
|
O1A 3/16 1/6 7/12 |
|
O2A 5/16 0 5/12 |
|
O3A 5/16 1/3 5/12 |
|
O1B 5/16 2/3 5/12 |
|
O2B 3/16 1/2 7/12 |
|
O3B 3/16 5/6 7/12 |
|
O1C 9/16 1/6 1/4 |
|
O2C 7/16 0 1/12 |
|
O3C 7/16 1/6 7/12 |
|
O1D 7/16 5/6 7/12 |
|
O2D 9/16 0 3/4 |
|
O3D 9/16 5/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #11a based on stacking sequence ABABABABCABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003009 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 1/16 7/12 5/12 |
|
SiB 5/48 1/12 7/12 |
|
SiC 11/48 1/12 11/12 |
|
SiD 13/48 5/12 7/12 |
|
SiE 19/48 5/12 7/12 |
|
SiF 7/16 1/12 1/4 |
|
Mg1a 0 1/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b 1/6 5/12 1/4 |
|
Mg2b 1/6 .25 3/4 |
|
Mg1c 1/3 1/12 7/12 |
|
Mg2c 1/3 .25 1/12 |
|
Mg1d 1/2 5/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 7/12 5/12 |
|
O2A 1/24 3/4 7/12 |
|
O3A 1/24 5/12 7/12 |
|
O1B 1/24 1/12 7/12 |
|
O2B 1/8 .25 5/12 |
|
O3B 1/8 1/12 11/12 |
|
O1C 7/24 1/12 11/12 |
|
O2C 5/24 .25 1/12 |
|
O3C 5/24 1/12 7/12 |
|
O1D 5/24 5/12 7/12 |
|
O2D 7/24 .25 5/12 |
|
O3D 7/24 7/12 5/12 |
|
O1E 11/24 5/12 7/12 |
|
O2E 3/8 .25 3/4 |
|
O3E 3/8 7/12 3/4 |
|
O1F 3/8 1/12 1/4 |
|
O2F 11/24 .25 1/12 |
|
O3F 11/24 1/12 7/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #11b based on stacking sequence ABABABABCABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003010 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
Mg1a 1/12 2/3 1/2 |
|
Mg2a 1/12 1/2 0 |
|
Mg1b .25 1/3 1/2 |
|
Mg2b .25 1/2 0 |
|
Mg1c 5/12 5/6 2/3 |
|
Mg2c 5/12 1/2 2/3 |
|
SiA 7/48 1/6 1/3 |
|
SiB 3/16 5/6 2/3 |
|
SiC 5/16 2/3 1/2 |
|
SiD 17/48 1/3 1/6 |
|
SiE 23/48 1/6 2/3 |
|
SiF 1/48 1/6 2/3 |
|
O1A 5/24 1/6 1/3 |
|
O2A 1/8 0 1/6 |
|
O3A 1/8 1/6 2/3 |
|
O1B 1/8 5/6 2/3 |
|
O2B 5/24 0 5/6 |
|
O3B 5/24 5/6 1/3 |
|
O1C 3/8 2/3 1/2 |
|
O2C 7/24 1/2 2/3 |
|
O3C 7/24 5/6 2/3 |
|
O1D 7/24 1/3 1/6 |
|
O2D 3/8 1/2 0 |
|
O3D 3/8 1/6 0 |
|
O1E 13/24 1/6 2/3 |
|
O2E 11/24 0 5/6 |
|
O3E 11/24 1/6 1/3 |
|
O1F 23/24 1/6 2/3 |
|
O2F 1/24 0 5/6 |
|
O3F 1/24 1/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #12a based on stacking sequence ABABABABCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003011 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 1/16 7/12 5/12 |
|
SiB 5/48 1/12 7/12 |
|
SiC 11/48 1/12 11/12 |
|
SiD 13/48 5/12 7/12 |
|
SiE 19/48 7/12 5/12 |
|
SiF 7/16 1/12 1/4 |
|
Mg1a 0 1/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b 1/6 5/12 1/4 |
|
Mg2b 1/6 .25 3/4 |
|
Mg1c 1/3 1/12 7/12 |
|
Mg2c 1/3 .25 1/12 |
|
Mg1d 1/2 5/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 7/12 5/12 |
|
O2A 1/24 3/4 7/12 |
|
O3A 1/24 5/12 7/12 |
|
O1B 1/24 1/12 7/12 |
|
O2B 1/8 .25 5/12 |
|
O3B 1/8 1/12 11/12 |
|
O1C 7/24 1/12 11/12 |
|
O2C 5/24 .25 1/12 |
|
O3C 5/24 1/12 7/12 |
|
O1D 5/24 5/12 7/12 |
|
O2D 7/24 .25 5/12 |
|
O3D 7/24 7/12 5/12 |
|
O1E 11/24 7/12 5/12 |
|
O2E 3/8 .25 3/4 |
|
O3E 3/8 7/12 3/4 |
|
O1F 3/8 1/12 1/4 |
|
O2F 11/24 .25 5/12 |
|
O3F 11/24 11/12 5/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #12b based on stacking sequence ABABABABCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003012 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
Mg1a 1/12 2/3 1/2 |
|
Mg2a 1/12 1/2 0 |
|
Mg1b .25 1/3 1/2 |
|
Mg2b .25 1/2 0 |
|
Mg1c 5/12 2/3 5/6 |
|
Mg2c 5/12 1/2 1/3 |
|
SiA 7/48 1/6 1/3 |
|
SiB 3/16 5/6 2/3 |
|
SiC 5/16 2/3 1/2 |
|
SiD 17/48 1/3 1/6 |
|
SiE 23/48 1/6 1/3 |
|
SiF 1/48 1/6 2/3 |
|
O1A 5/24 1/6 1/3 |
|
O2A 1/8 0 1/6 |
|
O3A 1/8 1/6 2/3 |
|
O1B 1/8 5/6 2/3 |
|
O2B 5/24 0 5/6 |
|
O3B 5/24 5/6 1/3 |
|
O1C 3/8 2/3 1/2 |
|
O2C 7/24 1/2 2/3 |
|
O3C 7/24 5/6 2/3 |
|
O1D 7/24 1/3 1/6 |
|
O2D 3/8 1/2 0 |
|
O3D 3/8 1/6 0 |
|
O1E 13/24 1/6 1/3 |
|
O2E 11/24 0 1/6 |
|
O3E 11/24 1/6 2/3 |
|
O1F 23/24 1/6 2/3 |
|
O2F 1/24 0 5/6 |
|
O3F 1/24 1/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #13 based on stacking sequence ABABABACACAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003013 |
|
19.595917 6 3.4641016 90 90 90 P2_1cn |
|
atom x y z |
|
SiA 1/48 2/3 1/3 |
|
SiB 1/16 1/3 0 |
|
SiC 3/16 1/6 5/6 |
|
SiD 11/48 2/3 0 |
|
SiE 17/48 2/3 1/3 |
|
SiF 19/48 1/3 0 |
|
Mg1a 1/8 2/3 2/3 |
|
Mg2a 1/8 0 2/3 |
|
Mg1b 7/24 1/3 2/3 |
|
Mg2b 7/24 0 2/3 |
|
Mg1c 11/24 2/3 2/3 |
|
Mg2c 11/24 0 2/3 |
|
O1A 1/12 2/3 1/3 |
|
O2A 0 1/2 1/2 |
|
O3A 0 5/6 1/2 |
|
O1B 0 1/3 0 |
|
O2B 1/12 0 1/3 |
|
O3B 1/12 1/3 1/3 |
|
O1C .25 1/6 5/6 |
|
O2C 1/6 0 0 |
|
O3C 1/6 1/3 0 |
|
O1D 1/6 2/3 0 |
|
O2D .25 0 1/3 |
|
O3D .25 2/3 1/3 |
|
O1E 5/12 2/3 1/3 |
|
O2E 1/3 0 0 |
|
O3E 1/3 2/3 0 |
|
O1F 1/3 1/3 0 |
|
O2F 5/12 0 1/3 |
|
O3F 5/12 1/3 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #14a based on stacking sequence ABABABCABABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003014 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 7/48 5/6 2/3 |
|
SiB 3/16 1/6 1/3 |
|
SiC 5/16 1/6 1/3 |
|
SiD 17/48 5/6 0 |
|
SiE 25/48 1/3 1/6 |
|
SiF 1/48 5/6 1/3 |
|
Mg1a 1/12 1/6 0 |
|
Mg2a 1/12 0 1/2 |
|
Mg1b .25 2/3 5/6 |
|
Mg2b .25 1/2 1/3 |
|
Mg1c 5/12 1/6 0 |
|
Mg2c 5/12 0 1/2 |
|
O1A 5/24 5/6 2/3 |
|
O2A 1/8 0 5/6 |
|
O3A 1/8 5/6 1/3 |
|
O1B 1/8 1/6 1/3 |
|
O2B 5/24 0 1/6 |
|
O3B 5/24 1/6 2/3 |
|
O1C 3/8 1/6 1/3 |
|
O2C 7/24 0 1/2 |
|
O3C 7/24 1/6 0 |
|
O1D 7/24 5/6 0 |
|
O2D 3/8 0 5/6 |
|
O3D 3/8 5/6 1/3 |
|
O1E 11/24 1/3 1/6 |
|
O2E 13/24 0 5/6 |
|
O3E 13/24 1/6 1/3 |
|
O1F 23/24 5/6 1/3 |
|
O2F 1/24 0 1/6 |
|
O3F 1/24 5/6 2/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #14b based on stacking sequence ABABABCABABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003015 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 1/16 7/12 1/12 |
|
SiB 5/48 1/12 11/12 |
|
SiC 11/48 1/12 1/4 |
|
SiD 13/48 7/12 5/12 |
|
SiE 19/48 7/12 5/12 |
|
SiF 7/16 1/12 7/12 |
|
Mg1a 0 1/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
Mg1b 1/6 5/12 1/4 |
|
Mg2b 1/6 .25 3/4 |
|
Mg1c 1/3 1/12 11/12 |
|
Mg2c 1/3 .25 5/12 |
|
Mg1d 1/2 5/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 7/12 1/12 |
|
O2A 1/24 .25 5/12 |
|
O3A 1/24 7/12 5/12 |
|
O1B 1/24 1/12 11/12 |
|
O2B 1/8 .25 1/12 |
|
O3B 1/8 1/12 7/12 |
|
O1C 7/24 1/12 1/4 |
|
O2C 5/24 .25 5/12 |
|
O3C 5/24 1/12 11/12 |
|
O1D 5/24 7/12 5/12 |
|
O2D 7/24 3/4 1/4 |
|
O3D 7/24 5/12 1/4 |
|
O1E 11/24 7/12 5/12 |
|
O2E 3/8 .25 1/12 |
|
O3E 3/8 7/12 1/12 |
|
O1F 3/8 1/12 7/12 |
|
O2F 11/24 .25 5/12 |
|
O3F 11/24 1/12 11/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #15a based on stacking sequence ABABABCBABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003016 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 1/48 5/6 1/3 |
|
Mg1a 1/12 1/6 0 |
|
Mg2a 1/12 0 1/2 |
|
SiB 7/48 2/3 1/6 |
|
SiC 3/16 1/6 1/3 |
|
Mg1b .25 2/3 5/6 |
|
Mg2b .25 0 5/6 |
|
SiD 5/16 1/3 1/6 |
|
SiE 17/48 5/6 0 |
|
Mg1c 5/12 1/6 0 |
|
Mg2c 5/12 0 1/2 |
|
SiF 23/48 2/3 1/6 |
|
O1A 23/24 5/6 1/3 |
|
O2A 1/24 0 1/6 |
|
O3A 1/24 5/6 2/3 |
|
O1B 5/24 2/3 1/6 |
|
O2B 1/8 0 5/6 |
|
O3B 1/8 5/6 1/3 |
|
O1C 1/8 1/6 1/3 |
|
O2C 5/24 0 1/6 |
|
O3C 5/24 1/3 1/6 |
|
O1D 3/8 1/3 1/6 |
|
O2D 7/24 0 1/2 |
|
O3D 7/24 1/6 0 |
|
O1E 7/24 5/6 0 |
|
O2E 3/8 0 1/6 |
|
O3E 3/8 2/3 1/6 |
|
O1F 13/24 2/3 1/6 |
|
O2F 11/24 0 5/6 |
|
O3F 11/24 5/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #15b based on stacking sequence ABABABCBABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003017 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
SiA 1/16 7/12 1/12 |
|
SiB 5/48 1/12 11/12 |
|
Mg1a 1/6 5/12 1/4 |
|
Mg2a 1/6 .25 3/4 |
|
SiC 11/48 1/12 1/4 |
|
SiD 13/48 7/12 5/12 |
|
Mg1b 1/3 1/12 7/12 |
|
Mg2b 1/3 .25 1/12 |
|
SiE 19/48 7/12 1/12 |
|
SiF 7/16 1/12 11/12 |
|
Mg1c 1/2 5/12 1/4 |
|
Mg2c 1/2 .25 3/4 |
|
Mg1d 0 1/12 1/4 |
|
Mg2d 0 .25 3/4 |
|
O1A 1/8 7/12 1/12 |
|
O2A 1/24 .25 5/12 |
|
O3A 1/24 7/12 5/12 |
|
O1B 1/24 1/12 11/12 |
|
O2B 1/8 .25 1/12 |
|
O3B 1/8 1/12 7/12 |
|
O1C 7/24 1/12 1/4 |
|
O2C 5/24 .25 5/12 |
|
O3C 5/24 1/12 11/12 |
|
O1D 5/24 7/12 5/12 |
|
O2D 7/24 .25 3/4 |
|
O3D 7/24 5/12 1/4 |
|
O1E 11/24 7/12 1/12 |
|
O2E 3/8 .25 5/12 |
|
O3E 3/8 7/12 5/12 |
|
O1F 3/8 1/12 11/12 |
|
O2F 11/24 .25 1/12 |
|
O3F 11/24 1/12 7/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #16 based on stacking sequence ABABACABABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003018 |
|
19.899748 6 3.4641016 90 100.024987862 90 Cc |
|
atom x y z |
|
SiA 1/48 5/12 17/48 |
|
SiB 1/16 1/12 1/16 |
|
Mg1a 1/8 5/12 19/24 |
|
Mg2a 1/8 .25 7/24 |
|
SiC 3/16 1/12 25/48 |
|
SiD 11/48 5/12 11/48 |
|
Mg1b 7/24 1/12 23/24 |
|
Mg2b 7/24 .25 11/24 |
|
SiE 17/48 7/12 25/48 |
|
SiF 19/48 1/12 19/48 |
|
Mg1c 11/24 5/12 19/24 |
|
Mg2c 11/24 .25 7/24 |
|
O1A 1/12 5/12 5/12 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 11/12 |
|
O3B 1/12 1/12 5/12 |
|
O1C .25 1/12 7/12 |
|
O2C 1/6 .25 2/3 |
|
O3C 1/6 1/12 1/6 |
|
O1D 1/6 5/12 1/6 |
|
O2D .25 3/4 7/12 |
|
O3D .25 5/12 7/12 |
|
O1E 5/12 7/12 7/12 |
|
O2E 1/3 3/4 1/3 |
|
O3E 1/3 5/12 1/3 |
|
O1F 1/3 1/12 1/3 |
|
O2F 5/12 .25 7/12 |
|
O3F 5/12 1/12 1/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #17a based on stacking sequence ABABACACBCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003019 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
SiA 1/16 1/12 7/12 |
|
SiB 5/48 7/12 5/12 |
|
Mg1b 1/6 1/12 11/12 |
|
Mg2b 1/6 .25 5/12 |
|
SiC 11/48 7/12 1/12 |
|
SiD 13/48 1/12 1/4 |
|
Mg1c 1/3 5/12 11/12 |
|
Mg2c 1/3 .25 5/12 |
|
SiE 19/48 1/12 7/12 |
|
SiF 7/16 5/12 1/4 |
|
Mg1d 1/2 1/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 1/12 7/12 |
|
O2A 1/24 .25 5/12 |
|
O3A 1/24 1/12 11/12 |
|
O1B 1/24 7/12 5/12 |
|
O2B 1/8 .25 1/12 |
|
O3B 1/8 7/12 1/12 |
|
O1C 7/24 7/12 1/12 |
|
O2C 5/24 3/4 1/4 |
|
O3C 5/24 5/12 1/4 |
|
O1D 5/24 1/12 1/4 |
|
O2D 7/24 .25 1/12 |
|
O3D 7/24 1/12 7/12 |
|
O1E 11/24 1/12 7/12 |
|
O2E 3/8 .25 3/4 |
|
O3E 3/8 1/12 1/4 |
|
O1F 3/8 5/12 1/4 |
|
O2F 11/24 .25 1/12 |
|
O3F 11/24 7/12 1/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #17b based on stacking sequence ABABACACBCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003020 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 1/48 2/3 1/3 |
|
Mg1a 1/12 1/6 1/2 |
|
Mg2a 1/12 0 0 |
|
SiB 7/48 2/3 0 |
|
SiC 3/16 1/3 1/3 |
|
Mg1b .25 2/3 2/3 |
|
Mg2b .25 0 2/3 |
|
SiD 5/16 1/3 0 |
|
SiE 17/48 2/3 1/3 |
|
Mg1c 5/12 1/6 1/6 |
|
Mg2c 5/12 0 2/3 |
|
SiF 23/48 5/6 1/6 |
|
O1A 23/24 2/3 1/3 |
|
O2A 1/24 0 2/3 |
|
O3A 1/24 2/3 2/3 |
|
O1B 5/24 2/3 0 |
|
O2B 1/8 0 1/3 |
|
O3B 1/8 2/3 1/3 |
|
O1C 1/8 1/3 1/3 |
|
O2C 5/24 0 0 |
|
O3C 5/24 1/3 0 |
|
O1D 3/8 1/3 0 |
|
O2D 7/24 0 1/3 |
|
O3D 7/24 1/3 1/3 |
|
O1E 7/24 2/3 1/3 |
|
O2E 3/8 0 0 |
|
O3E 3/8 2/3 0 |
|
O1F 13/24 5/6 1/6 |
|
O2F 11/24 0 1/3 |
|
O3F 11/24 2/3 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #18 based on stacking sequence ABABACBABABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003021 |
|
19.595917 6 3.4641016 90 90 90 P2_1cn |
|
atom x y z |
|
SiA 1/16 1/6 1/3 |
|
SiB 1/48 2/3 1/6 |
|
Mg1a 1/8 2/3 1/2 |
|
Mg2a 1/8 0 1/2 |
|
SiC 3/16 1/3 1/6 |
|
SiD 11/48 5/6 1/3 |
|
Mg1b 7/24 1/6 0 |
|
Mg2b 7/24 0 1/2 |
|
SiE 17/48 5/6 0 |
|
SiF 19/48 1/6 1/3 |
|
Mg1c 11/24 2/3 5/6 |
|
Mg2c 11/24 0 5/6 |
|
O1A 0 1/6 1/3 |
|
O2A 1/12 0 1/6 |
|
O3A 1/12 1/3 1/6 |
|
O1B 1/12 2/3 1/6 |
|
O2B 0 0 5/6 |
|
O3B 0 2/3 5/6 |
|
O1C .25 1/3 1/6 |
|
O2C 1/6 1/2 1/3 |
|
O3C 1/6 1/6 1/3 |
|
O1D 1/6 5/6 1/3 |
|
O2D .25 0 1/6 |
|
O3D .25 2/3 1/6 |
|
O1E 5/12 5/6 0 |
|
O2E 1/3 0 5/6 |
|
O3E 1/3 2/3 5/6 |
|
O1F 1/3 1/6 1/3 |
|
O2F 5/12 0 1/2 |
|
O3F 5/12 1/6 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #19a based on stacking sequence ABABCABCBCAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003022 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 1/48 1/3 1/3 |
|
Mg1a 1/12 2/3 1/3 |
|
Mg2a 1/12 1/2 5/6 |
|
SiB 7/48 1/3 1/3 |
|
SiC 3/16 2/3 0 |
|
Mg1b .25 1/6 1/6 |
|
Mg2b .25 0 2/3 |
|
SiD 5/16 2/3 1/3 |
|
SiE 17/48 1/3 0 |
|
Mg1c 5/12 2/3 0 |
|
Mg2c 5/12 0 0 |
|
SiF 23/48 1/3 1/3 |
|
O1A 23/24 1/3 1/3 |
|
O2A 1/24 0 2/3 |
|
O3A 1/24 1/3 2/3 |
|
O1B 5/24 1/3 1/3 |
|
O2B 1/8 0 0 |
|
O3B 1/8 1/6 1/2 |
|
O1C 1/8 2/3 0 |
|
O2C 5/24 0 1/3 |
|
O3C 5/24 2/3 1/3 |
|
O1D 3/8 2/3 1/3 |
|
O2D 7/24 0 0 |
|
O3D 7/24 2/3 0 |
|
O1E 7/24 1/3 0 |
|
O2E 3/8 0 1/3 |
|
O3E 3/8 1/3 1/3 |
|
O1F 13/24 1/3 1/3 |
|
O2F 11/24 0 2/3 |
|
O3F 11/24 1/3 2/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #19b based on stacking sequence ABABCABCBCAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003023 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
SiA 1/16 1/12 1/4 |
|
SiB 5/48 5/12 11/12 |
|
Mg1b 1/6 1/12 11/12 |
|
Mg2b 1/6 .25 5/12 |
|
SiC 11/48 5/12 1/4 |
|
SiD 13/48 1/12 7/12 |
|
Mg1c 1/3 5/12 11/12 |
|
Mg2c 1/3 .25 5/12 |
|
SiE 19/48 1/12 11/12 |
|
SiF 7/16 7/12 1/12 |
|
Mg1d 1/2 1/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 1/12 1/4 |
|
O2A 1/24 .25 5/12 |
|
O3A 1/24 1/12 11/12 |
|
O1B 1/24 7/12 5/12 |
|
O2B 1/8 3/4 1/4 |
|
O3B 1/8 7/12 3/4 |
|
O1C 7/24 5/12 1/4 |
|
O2C 5/24 .25 1/12 |
|
O3C 5/24 7/12 1/12 |
|
O1D 5/24 1/12 7/12 |
|
O2D 7/24 .25 3/4 |
|
O3D 7/24 1/12 1/4 |
|
O1E 11/24 1/12 11/12 |
|
O2E 3/8 .25 1/12 |
|
O3E 3/8 1/12 7/12 |
|
O1F 3/8 7/12 1/12 |
|
O2F 11/24 .25 5/12 |
|
O3F 11/24 7/12 5/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #20a based on stacking sequence ABABCACBACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003024 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
SiA 1/16 1/12 11/12 |
|
SiB 5/48 7/12 1/12 |
|
Mg1b 1/6 1/12 7/12 |
|
Mg2b 1/6 .25 1/12 |
|
SiC 11/48 7/12 1/12 |
|
SiD 13/48 1/12 1/4 |
|
Mg1c 1/3 5/12 11/12 |
|
Mg2c 1/3 .25 5/12 |
|
SiE 7/16 5/12 1/4 |
|
SiF 19/48 1/12 11/12 |
|
Mg1d 1/2 1/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 1/12 11/12 |
|
O2A 1/24 .25 1/12 |
|
O3A 1/24 1/12 7/12 |
|
O1B 1/24 7/12 1/12 |
|
O2B 1/8 .25 5/12 |
|
O3B 1/8 7/12 5/12 |
|
O1C 7/24 7/12 1/12 |
|
O2C 5/24 3/4 1/4 |
|
O3C 5/24 5/12 1/4 |
|
O1D 5/24 1/12 1/4 |
|
O2D 7/24 .25 1/12 |
|
O3D 7/24 1/12 7/12 |
|
O1E 5/8 5/12 1/4 |
|
O2E 13/24 .25 1/12 |
|
O3E 13/24 7/12 1/12 |
|
O1F 13/24 1/12 7/12 |
|
O2F 5/8 .25 3/4 |
|
O3F 5/8 1/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #20b based on stacking sequence ABABCACBACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003025 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 1/48 2/3 1/6 |
|
Mg1a 1/12 1/6 0 |
|
Mg2a 1/12 0 1/2 |
|
SiB 7/48 5/6 0 |
|
SiC 3/16 1/3 1/6 |
|
Mg1b .25 2/3 1/6 |
|
Mg2b .25 0 1/6 |
|
SiD 5/16 1/6 0 |
|
SiE 17/48 5/6 1/3 |
|
Mg1c 5/12 1/6 1/3 |
|
Mg2c 5/12 0 5/6 |
|
SiF 23/48 5/6 1/3 |
|
O1A 23/24 2/3 1/6 |
|
O2A 1/24 0 5/6 |
|
O3A 1/24 5/6 1/3 |
|
O1B 5/24 5/6 0 |
|
O2B 1/8 0 1/6 |
|
O3B 1/8 2/3 1/6 |
|
O1C 1/8 1/3 1/6 |
|
O2C 5/24 1/2 0 |
|
O3C 5/24 1/6 0 |
|
O1D 3/8 1/6 0 |
|
O2D 7/24 0 5/6 |
|
O3D 7/24 1/6 1/3 |
|
O1E 7/24 5/6 1/3 |
|
O2E 3/8 1/2 0 |
|
O3E 3/8 5/6 0 |
|
O1F 13/24 5/6 1/3 |
|
O2F 11/24 0 1/6 |
|
O3F 11/24 2/3 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #21a based on stacking sequence ABABCACBCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003026 |
|
19.595917 6 3.4641016 90 90 90 P2_1cn |
|
atom x y z |
|
SiA 1/48 2/3 0 |
|
SiB 1/16 1/6 1/6 |
|
Mg1a 1/8 2/3 1/3 |
|
Mg2a 1/8 0 1/3 |
|
SiC 3/16 1/3 0 |
|
SiD 11/48 5/6 1/6 |
|
Mg1b 7/24 1/6 1/6 |
|
Mg2b 7/24 0 2/3 |
|
SiE 17/48 5/6 1/6 |
|
SiF 19/48 1/3 1/3 |
|
Mg1c 11/24 2/3 0 |
|
Mg2c 11/24 0 0 |
|
O1A 1/12 2/3 0 |
|
O2A 0 0 2/3 |
|
O3A 0 2/3 2/3 |
|
O1B 0 1/6 1/6 |
|
O2B 1/12 0 0 |
|
O3B 1/12 1/3 0 |
|
O1C .25 1/3 0 |
|
O2C 1/6 0 2/3 |
|
O3C 1/6 1/3 2/3 |
|
O1D 1/6 5/6 1/6 |
|
O2D .25 0 0 |
|
O3D .25 2/3 0 |
|
O1E 5/12 5/6 1/6 |
|
O2E 1/3 0 1/3 |
|
O3E 1/3 2/3 1/3 |
|
O1F 1/3 1/3 1/3 |
|
O2F 5/12 0 2/3 |
|
O3F 5/12 1/6 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #21b based on stacking sequence ABABCACBCBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003027 |
|
19.595917 6 3.4641016 90 90 90 P2_1cn |
|
atom x y z |
|
Mg1a 1/24 2/3 1/3 |
|
Mg2a 1/24 1/2 5/6 |
|
SiA 5/48 1/6 1/6 |
|
SiB 7/48 2/3 0 |
|
Mg1b 5/24 1/6 5/6 |
|
Mg2b 5/24 0 1/3 |
|
SiC 13/48 2/3 1/3 |
|
SiD 5/16 1/3 0 |
|
Mg1c 3/8 2/3 0 |
|
Mg2c 3/8 0 0 |
|
SiE 7/16 1/3 1/3 |
|
SiF 23/48 5/6 1/6 |
|
O1A 1/6 1/6 1/6 |
|
O2A 1/12 0 0 |
|
O3A 1/12 1/3 0 |
|
O1B 1/12 2/3 0 |
|
O2B 1/6 0 2/3 |
|
O3B 1/6 2/3 2/3 |
|
O1C 1/3 2/3 1/3 |
|
O2C .25 0 0 |
|
O3C .25 2/3 0 |
|
O1D .25 1/3 0 |
|
O2D 1/3 0 1/3 |
|
O3D 1/3 1/3 1/3 |
|
O1E 1/2 1/3 1/3 |
|
O2E 5/12 0 2/3 |
|
O3E 5/12 1/3 2/3 |
|
O1F 5/12 5/6 1/6 |
|
O2F 1/2 0 1/3 |
|
O3F 1/2 2/3 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #22a based on stacking sequence ABACBACBACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003028 |
|
19.595917 6 3.4641016 90 90. 90 P2/c |
|
atom x y z |
|
Mg1a 0 5/12 1/4 |
|
Mg2a 0 .25 3/4 |
|
SiA 1/16 1/12 1/4 |
|
SiB 5/48 7/12 1/12 |
|
Mg1b 1/6 1/12 7/12 |
|
Mg2b 1/6 .25 1/12 |
|
SiC 11/48 7/12 1/12 |
|
SiD 13/48 1/12 11/12 |
|
Mg1c 1/3 5/12 11/12 |
|
Mg2c 1/3 .25 5/12 |
|
SiE 19/48 1/12 7/12 |
|
SiF 7/16 5/12 1/4 |
|
Mg1d 1/2 1/12 1/4 |
|
Mg2d 1/2 .25 3/4 |
|
O1A 1/8 1/12 1/4 |
|
O2A 1/24 .25 1/12 |
|
O3A 1/24 1/12 7/12 |
|
O1B 1/24 7/12 1/12 |
|
O2B 1/8 3/4 1/4 |
|
O3B 1/8 5/12 1/4 |
|
O1C 7/24 7/12 1/12 |
|
O2C 5/24 .25 5/12 |
|
O3C 5/24 7/12 5/12 |
|
O1D 5/24 1/12 11/12 |
|
O2D 7/24 .25 1/12 |
|
O3D 7/24 1/12 7/12 |
|
O1E 11/24 1/12 7/12 |
|
O2E 3/8 .25 3/4 |
|
O3E 3/8 1/12 1/4 |
|
O1F 3/8 5/12 1/4 |
|
O2F 11/24 .25 1/12 |
|
O3F 11/24 7/12 1/12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #22b based on stacking sequence ABACBACBACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003029 |
|
19.595917 6 3.4641016 90 90. 90 P2_1/c |
|
atom x y z |
|
SiA 1/48 5/6 1/6 |
|
Mg1a 1/12 1/6 1/6 |
|
Mg2a 1/12 0 2/3 |
|
SiB 7/48 5/6 1/6 |
|
SiC 3/16 1/3 0 |
|
Mg1b .25 2/3 0 |
|
Mg2b .25 0 0 |
|
SiD 5/16 1/3 0 |
|
SiE 17/48 2/3 1/3 |
|
Mg1c 5/12 1/6 1/6 |
|
Mg2c 5/12 0 2/3 |
|
SiF 23/48 2/3 2/3 |
|
O1A 23/24 5/6 1/6 |
|
O2A 1/24 0 1/3 |
|
O3A 1/24 2/3 1/3 |
|
O1B 5/24 5/6 1/6 |
|
O2B 1/8 0 0 |
|
O3B 1/8 2/3 0 |
|
O1C 1/8 1/3 0 |
|
O2C 5/24 0 2/3 |
|
O3C 5/24 1/6 1/6 |
|
O1D 3/8 1/3 0 |
|
O2D 7/24 0 1/3 |
|
O3D 7/24 1/3 1/3 |
|
O1E 7/24 2/3 1/3 |
|
O2E 3/8 0 0 |
|
O3E 3/8 2/3 0 |
|
O1F 13/24 2/3 2/3 |
|
O2F 11/24 0 1/3 |
|
O3F 11/24 2/3 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #23 based on stacking sequence ABACBACBCABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003030 |
|
19.595917 6 3.4641016 90 90 90 P2_1cn |
|
atom x y z |
|
SiA 1/48 2/3 0 |
|
SiB 1/16 1/6 1/6 |
|
Mg1a 1/8 2/3 1/3 |
|
Mg2a 1/8 0 1/3 |
|
SiC 3/16 1/3 1/3 |
|
SiD 11/48 5/6 1/6 |
|
Mg1b 7/24 1/6 1/6 |
|
Mg2b 7/24 0 2/3 |
|
SiE 17/48 5/6 1/6 |
|
SiF 19/48 1/3 0 |
|
Mg1c 11/24 2/3 0 |
|
Mg2c 11/24 0 0 |
|
O1A 1/12 2/3 0 |
|
O2A 0 0 2/3 |
|
O3A 0 2/3 2/3 |
|
O1B 0 1/6 1/6 |
|
O2B 1/12 0 0 |
|
O3B 1/12 1/3 0 |
|
O1C .25 1/3 1/3 |
|
O2C 1/6 0 2/3 |
|
O3C 1/6 1/3 2/3 |
|
O1D 1/6 5/6 1/6 |
|
O2D .25 0 1/3 |
|
O3D .25 2/3 1/3 |
|
O1E 5/12 5/6 1/6 |
|
O2E 1/3 0 0 |
|
O3E 1/3 2/3 0 |
|
O1F 1/3 1/3 0 |
|
O2F 5/12 0 2/3 |
|
O3F 5/12 1/6 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #24 based on stacking sequence ABACBCABACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003031 |
|
19.899748 6 3.4641016 90 100.024987862 90 C2/c |
|
atom x y z |
|
Mg1a 0 5/12 3/4 |
|
Mg2a 0 .25 1/4 |
|
SiA 1/16 1/12 13/16 |
|
SiB 5/48 5/12 25/48 |
|
Mg1b 1/6 1/12 1/4 |
|
Mg2b 1/6 .25 3/4 |
|
SiC 11/48 5/12 5/16 |
|
O1A 1/8 1/12 7/8 |
|
O2A 1/24 .25 23/24 |
|
O3A 1/24 1/12 11/24 |
|
O1B 1/24 5/12 11/24 |
|
O2B 1/8 .25 3/8 |
|
O3B 1/8 7/12 3/8 |
|
O1C 7/24 5/12 3/8 |
|
O2C 5/24 3/4 5/8 |
|
O3C 5/24 5/12 5/8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #25 based on stacking sequence ABABABABABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003032 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 11/12 5/6 |
|
SiH 9/16 7/12 1/2 |
|
Mg1d 5/8 11/12 1/6 |
|
Mg2d 5/8 .25 1/6 |
|
SiJ 11/16 7/12 5/6 |
|
SiK 35/48 11/12 1/2 |
|
Mg1e 19/24 7/12 1/6 |
|
Mg2e 19/24 .25 1/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 7/12 1/2 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 1/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 3/4 1/3 |
|
O3H 7/12 5/12 1/3 |
|
O1J 3/4 5/12 1/3 |
|
O2J 2/3 .25 1/2 |
|
O3J 2/3 5/12 0 |
|
O1K 2/3 1/12 0 |
|
O2K 3/4 .25 5/6 |
|
O3K 3/4 1/12 1/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 1/2 |
|
O3L 5/6 1/12 0 |
|
O1M 5/6 5/12 0 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #26 based on stacking sequence ABABABABACAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003033 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 11/12 5/6 |
|
SiH 9/16 7/12 1/2 |
|
Mg1d 5/8 11/12 1/6 |
|
Mg2d 5/8 .25 1/6 |
|
SiJ 11/16 7/12 1/6 |
|
SiK 35/48 11/12 1/2 |
|
Mg1e 19/24 7/12 5/6 |
|
Mg2e 19/24 .25 5/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 7/12 1/2 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 1/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 3/4 1/3 |
|
O3H 7/12 5/12 1/3 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 .25 1/2 |
|
O3J 2/3 5/12 0 |
|
O1K 2/3 1/12 0 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 1/2 |
|
O3L 5/6 1/12 0 |
|
O1M 5/6 5/12 0 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #27 based on stacking sequence ABABABABACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003034 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 11/12 5/6 |
|
SiH 9/16 7/12 1/2 |
|
Mg1d 5/8 11/12 1/6 |
|
Mg2d 5/8 .25 1/6 |
|
SiJ 11/16 7/12 1/6 |
|
SiK 35/48 11/12 1/2 |
|
Mg1e 19/24 7/12 1/2 |
|
Mg2e 19/24 .25 1/2 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 5/12 1/3 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 1/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 3/4 1/3 |
|
O3H 7/12 5/12 1/3 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 .25 1/2 |
|
O3J 2/3 5/12 0 |
|
O1K 2/3 1/12 0 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 5/6 |
|
O3L 5/6 1/12 1/3 |
|
O1M 5/6 5/12 1/3 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #28 based on stacking sequence ABABABACABAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003035 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 1/12 2/3 |
|
SiH 9/16 5/12 0 |
|
Mg1d 5/8 1/12 1/3 |
|
Mg2d 5/8 .25 5/6 |
|
SiJ 11/16 7/12 5/6 |
|
SiK 35/48 11/12 1/2 |
|
Mg1e 19/24 7/12 1/6 |
|
Mg2e 19/24 .25 1/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 7/12 1/2 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 2/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 .25 1/6 |
|
O3H 7/12 7/12 1/6 |
|
O1J 3/4 5/12 1/3 |
|
O2J 2/3 .25 1/2 |
|
O3J 2/3 5/12 0 |
|
O1K 2/3 1/12 0 |
|
O2K 3/4 .25 5/6 |
|
O3K 3/4 1/12 1/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 1/2 |
|
O3L 5/6 1/12 0 |
|
O1M 5/6 5/12 0 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #29a based on stacking sequence ABABABACACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003036 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 1/12 2/3 |
|
SiH 9/16 5/12 0 |
|
Mg1d 5/8 1/12 1/3 |
|
Mg2d 5/8 .25 5/6 |
|
SiJ 11/16 7/12 1/6 |
|
SiK 35/48 11/12 1/2 |
|
Mg1e 19/24 7/12 1/2 |
|
Mg2e 19/24 .25 1/2 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 5/12 1/3 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 2/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 .25 1/6 |
|
O3H 7/12 7/12 1/6 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 .25 1/2 |
|
O3J 2/3 5/12 0 |
|
O1K 2/3 1/12 0 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 5/6 |
|
O3L 5/6 1/12 1/3 |
|
O1M 5/6 5/12 1/3 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #29b based on stacking sequence ABABABACACBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003037 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
Mg1a 1/24 7/12 1/6 |
|
Mg2a 1/24 .25 1/6 |
|
SiA 5/48 1/12 0 |
|
SiB 7/48 5/12 1/3 |
|
Mg1b 5/24 1/12 2/3 |
|
Mg2b 5/24 .25 1/6 |
|
SiC 13/48 7/12 1/2 |
|
SiD 5/16 1/12 1/3 |
|
Mg1c 3/8 5/12 2/3 |
|
Mg2c 3/8 .25 1/6 |
|
SiE 7/16 11/12 1/2 |
|
SiF 23/48 5/12 1/3 |
|
Mg1d 13/24 1/12 1/3 |
|
Mg2d 13/24 .25 5/6 |
|
SiG 29/48 7/12 1/2 |
|
SiH 31/48 11/12 1/6 |
|
Mg1e 17/24 5/12 1/3 |
|
Mg2e 17/24 .25 5/6 |
|
SiJ 37/48 11/12 5/6 |
|
SiK 13/16 7/12 1/6 |
|
Mg1f 7/8 1/12 0 |
|
Mg2f 7/8 .25 1/2 |
|
SiL 15/16 7/12 1/2 |
|
SiM 47/48 11/12 1/6 |
|
O1A 1/6 1/12 0 |
|
O2A 1/12 .25 5/6 |
|
O3A 1/12 1/12 1/3 |
|
O1B 1/12 5/12 1/3 |
|
O2B 1/6 .25 1/2 |
|
O3B 1/6 5/12 0 |
|
O1C 1/3 5/12 0 |
|
O2C .25 3/4 1/3 |
|
O3C .25 5/12 1/3 |
|
O1D .25 1/12 1/3 |
|
O2D 1/3 .25 1/2 |
|
O3D 1/3 1/12 0 |
|
O1E 1/2 1/12 0 |
|
O2E 5/12 .25 5/6 |
|
O3E 5/12 1/12 1/3 |
|
O1F 5/12 5/12 1/3 |
|
O2F 1/2 .25 1/2 |
|
O3F 1/2 5/12 0 |
|
O1G 2/3 5/12 0 |
|
O2G 7/12 .25 1/6 |
|
O3G 7/12 7/12 1/6 |
|
O1H 7/12 1/12 2/3 |
|
O2H 2/3 .25 1/2 |
|
O3H 2/3 1/12 0 |
|
O1J 5/6 1/12 1/3 |
|
O2J 3/4 .25 1/6 |
|
O3J 3/4 1/12 2/3 |
|
O1K 3/4 7/12 1/6 |
|
O2K 5/6 3/4 1/3 |
|
O3K 5/6 5/12 1/3 |
|
O1L 0 5/12 0 |
|
O2L 11/12 .25 1/6 |
|
O3L 11/12 7/12 1/6 |
|
O1M 11/12 1/12 2/3 |
|
O2M 0 .25 1/2 |
|
O3M 0 1/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #30 based on stacking sequence ABABABACBABC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003038 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 1/12 2/3 |
|
SiH 9/16 5/12 0 |
|
Mg1d 5/8 1/12 0 |
|
Mg2d 5/8 .25 1/2 |
|
SiJ 11/16 5/12 0 |
|
SiK 35/48 1/12 1/3 |
|
Mg1e 19/24 5/12 2/3 |
|
Mg2e 19/24 .25 1/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 5/12 1/3 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 2/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 .25 1/6 |
|
O3H 7/12 7/12 1/6 |
|
O1J 3/4 5/12 0 |
|
O2J 2/3 3/4 1/3 |
|
O3J 2/3 5/12 1/3 |
|
O1K 2/3 1/12 1/3 |
|
O2K 3/4 .25 1/2 |
|
O3K 3/4 1/12 0 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 5/6 |
|
O3L 5/6 1/12 1/3 |
|
O1M 5/6 5/12 1/3 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #31 based on stacking sequence ABABABACBCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003039 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 7/12 1/6 |
|
Mg2c 11/24 .25 1/6 |
|
SiG 25/48 1/12 2/3 |
|
SiH 9/16 5/12 0 |
|
Mg1d 5/8 1/12 0 |
|
Mg2d 5/8 .25 1/2 |
|
SiJ 11/16 5/12 2/3 |
|
SiK 35/48 1/12 1/3 |
|
Mg1e 19/24 5/12 0 |
|
Mg2e 19/24 .25 1/2 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 5/12 1/3 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 2/3 |
|
O2G 1/2 .25 1/2 |
|
O3G 1/2 1/12 0 |
|
O1H 1/2 5/12 0 |
|
O2H 7/12 .25 1/6 |
|
O3H 7/12 7/12 1/6 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 3/4 1/3 |
|
O3J 2/3 5/12 1/3 |
|
O1K 2/3 1/12 1/3 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 5/6 |
|
O3L 5/6 1/12 1/3 |
|
O1M 5/6 5/12 1/3 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #32a based on stacking sequence ABABABCABCAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003040 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 5/12 0 |
|
Mg2c 11/24 .25 1/2 |
|
SiG 25/48 1/12 0 |
|
SiH 9/16 7/12 1/6 |
|
Mg1d 5/8 1/12 2/3 |
|
Mg2d 5/8 .25 1/6 |
|
SiJ 11/16 5/12 2/3 |
|
SiK 35/48 1/12 1/3 |
|
Mg1e 19/24 7/12 5/6 |
|
Mg2e 19/24 .25 5/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 7/12 1/2 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 0 |
|
O2G 1/2 .25 1/6 |
|
O3G 1/2 1/12 2/3 |
|
O1H 1/2 7/12 1/6 |
|
O2H 7/12 3/4 0 |
|
O3H 7/12 5/12 0 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 .25 5/6 |
|
O3J 2/3 7/12 5/6 |
|
O1K 2/3 1/12 1/3 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 1/2 |
|
O3L 5/6 1/12 0 |
|
O1M 5/6 5/12 0 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #32b based on stacking sequence ABABABCABCAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003041 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
Mg1a 1/24 7/12 1/6 |
|
Mg2a 1/24 .25 1/6 |
|
SiA 5/48 1/12 0 |
|
SiB 7/48 5/12 1/3 |
|
Mg1b 5/24 1/12 2/3 |
|
Mg2b 5/24 .25 1/6 |
|
SiC 13/48 7/12 1/2 |
|
SiD 5/16 1/12 1/3 |
|
Mg1c 3/8 5/12 2/3 |
|
Mg2c 3/8 .25 1/6 |
|
SiE 7/16 1/12 2/3 |
|
SiF 23/48 5/12 1/3 |
|
Mg1d 13/24 1/12 1/3 |
|
Mg2d 13/24 .25 5/6 |
|
SiG 29/48 7/12 5/6 |
|
SiH 31/48 1/12 0 |
|
Mg1e 17/24 5/12 0 |
|
Mg2e 17/24 .25 1/2 |
|
SiJ 37/48 1/12 0 |
|
SiK 13/16 5/12 2/3 |
|
Mg1f 7/8 1/12 1/3 |
|
Mg2f 7/8 .25 5/6 |
|
SiL 15/16 7/12 1/2 |
|
SiM 47/48 11/12 1/6 |
|
O1A 1/6 1/12 0 |
|
O2A 1/12 .25 5/6 |
|
O3A 1/12 1/12 1/3 |
|
O1B 1/12 5/12 1/3 |
|
O2B 1/6 .25 1/2 |
|
O3B 1/6 5/12 0 |
|
O1C 1/3 5/12 0 |
|
O2C .25 3/4 1/3 |
|
O3C .25 5/12 1/3 |
|
O1D .25 1/12 1/3 |
|
O2D 1/3 .25 1/2 |
|
O3D 1/3 1/12 0 |
|
O1E 1/2 1/12 2/3 |
|
O2E 5/12 .25 5/6 |
|
O3E 5/12 1/12 1/3 |
|
O1F 5/12 5/12 1/3 |
|
O2F 1/2 .25 1/6 |
|
O3F 1/2 5/12 2/3 |
|
O1G 2/3 7/12 5/6 |
|
O2G 7/12 .25 1/2 |
|
O3G 7/12 5/12 0 |
|
O1H 7/12 1/12 0 |
|
O2H 2/3 .25 5/6 |
|
O3H 2/3 1/12 1/3 |
|
O1J 5/6 1/12 0 |
|
O2J 3/4 .25 1/6 |
|
O3J 3/4 1/12 2/3 |
|
O1K 3/4 7/12 1/6 |
|
O2K 5/6 3/4 0 |
|
O3K 5/6 5/12 0 |
|
O1L 0 5/12 0 |
|
O2L 11/12 .25 1/6 |
|
O3L 11/12 7/12 1/6 |
|
O1M 11/12 1/12 2/3 |
|
O2M 0 .25 1/2 |
|
O3M 0 1/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #33a based on stacking sequence ABABABCABCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003042 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 5/12 0 |
|
Mg2c 11/24 .25 1/2 |
|
SiG 25/48 1/12 0 |
|
SiH 9/16 7/12 1/6 |
|
Mg1d 5/8 1/12 2/3 |
|
Mg2d 5/8 .25 1/6 |
|
SiJ 11/16 5/12 2/3 |
|
SiK 35/48 1/12 1/3 |
|
Mg1e 19/24 5/12 0 |
|
Mg2e 19/24 .25 1/2 |
|
SiL 41/48 1/12 2/3 |
|
SiM 43/48 5/12 1/3 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 0 |
|
O2G 1/2 .25 1/6 |
|
O3G 1/2 1/12 2/3 |
|
O1H 1/2 7/12 1/6 |
|
O2H 7/12 3/4 0 |
|
O3H 7/12 5/12 0 |
|
O1J 3/4 5/12 2/3 |
|
O2J 2/3 .25 5/6 |
|
O3J 2/3 7/12 5/6 |
|
O1K 2/3 1/12 1/3 |
|
O2K 3/4 .25 1/6 |
|
O3K 3/4 1/12 2/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 5/6 |
|
O3L 5/6 1/12 1/3 |
|
O1M 5/6 5/12 1/3 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #33b based on stacking sequence ABABABCABCBC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003043 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
Mg1a 1/24 7/12 1/6 |
|
Mg2a 1/24 .25 1/6 |
|
SiA 5/48 1/12 0 |
|
SiB 7/48 5/12 1/3 |
|
Mg1b 5/24 1/12 2/3 |
|
Mg2b 5/24 .25 1/6 |
|
SiC 13/48 7/12 1/2 |
|
SiD 5/16 1/12 1/3 |
|
Mg1c 3/8 5/12 2/3 |
|
Mg2c 3/8 .25 1/6 |
|
SiE 7/16 1/12 2/3 |
|
SiF 23/48 5/12 1/3 |
|
Mg1d 13/24 1/12 1/3 |
|
Mg2d 13/24 .25 5/6 |
|
SiG 29/48 7/12 5/6 |
|
SiH 31/48 1/12 0 |
|
Mg1e 17/24 5/12 0 |
|
Mg2e 17/24 .25 1/2 |
|
SiJ 37/48 1/12 1/3 |
|
SiK 13/16 7/12 1/6 |
|
Mg1f 7/8 1/12 0 |
|
Mg2f 7/8 .25 1/2 |
|
SiL 15/16 7/12 1/2 |
|
SiM 47/48 11/12 1/6 |
|
O1A 1/6 1/12 0 |
|
O2A 1/12 .25 5/6 |
|
O3A 1/12 1/12 1/3 |
|
O1B 1/12 5/12 1/3 |
|
O2B 1/6 .25 1/2 |
|
O3B 1/6 5/12 0 |
|
O1C 1/3 5/12 0 |
|
O2C .25 3/4 1/3 |
|
O3C .25 5/12 1/3 |
|
O1D .25 1/12 1/3 |
|
O2D 1/3 .25 1/2 |
|
O3D 1/3 1/12 0 |
|
O1E 1/2 1/12 2/3 |
|
O2E 5/12 .25 5/6 |
|
O3E 5/12 1/12 1/3 |
|
O1F 5/12 5/12 1/3 |
|
O2F 1/2 .25 1/6 |
|
O3F 1/2 5/12 2/3 |
|
O1G 2/3 7/12 5/6 |
|
O2G 7/12 .25 1/2 |
|
O3G 7/12 5/12 0 |
|
O1H 7/12 1/12 0 |
|
O2H 2/3 .25 5/6 |
|
O3H 2/3 1/12 1/3 |
|
O1J 5/6 1/12 1/3 |
|
O2J 3/4 .25 1/6 |
|
O3J 3/4 1/12 2/3 |
|
O1K 3/4 7/12 1/6 |
|
O2K 5/6 .25 5/6 |
|
O3K 5/6 5/12 1/3 |
|
O1L 0 5/12 0 |
|
O2L 11/12 .25 1/6 |
|
O3L 11/12 7/12 1/6 |
|
O1M 11/12 1/12 2/3 |
|
O2M 0 .25 1/2 |
|
O3M 0 1/12 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) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #34a based on stacking sequence ABABABCACBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003044 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
SiA 1/48 7/12 5/6 |
|
SiB 1/16 11/12 1/2 |
|
Mg1a 1/8 7/12 1/6 |
|
Mg2a 1/8 .25 1/6 |
|
SiC 3/16 11/12 5/6 |
|
SiD 11/48 7/12 1/2 |
|
Mg1b 7/24 11/12 1/6 |
|
Mg2b 7/24 .25 1/6 |
|
SiE 17/48 7/12 5/6 |
|
SiF 19/48 11/12 1/2 |
|
Mg1c 11/24 5/12 0 |
|
Mg2c 11/24 .25 1/2 |
|
SiG 25/48 1/12 0 |
|
SiH 9/16 7/12 1/6 |
|
Mg1d 5/8 1/12 1/3 |
|
Mg2d 5/8 .25 5/6 |
|
SiJ 11/16 5/12 1/3 |
|
SiK 35/48 1/12 2/3 |
|
Mg1e 19/24 5/12 2/3 |
|
Mg2e 19/24 .25 1/6 |
|
SiL 41/48 11/12 1/6 |
|
SiM 43/48 7/12 1/2 |
|
Mg1f 23/24 11/12 5/6 |
|
Mg2f 23/24 .25 5/6 |
|
O1A 1/12 7/12 5/6 |
|
O2A 0 3/4 0 |
|
O3A 0 5/12 0 |
|
O1B 0 1/12 0 |
|
O2B 1/12 .25 5/6 |
|
O3B 1/12 1/12 1/3 |
|
O1C .25 1/12 1/3 |
|
O2C 1/6 .25 1/2 |
|
O3C 1/6 1/12 0 |
|
O1D 1/6 5/12 0 |
|
O2D .25 .25 5/6 |
|
O3D .25 5/12 1/3 |
|
O1E 5/12 5/12 1/3 |
|
O2E 1/3 .25 1/2 |
|
O3E 1/3 7/12 1/2 |
|
O1F 1/3 1/12 0 |
|
O2F 5/12 .25 5/6 |
|
O3F 5/12 1/12 1/3 |
|
O1G 7/12 1/12 0 |
|
O2G 1/2 .25 1/6 |
|
O3G 1/2 1/12 2/3 |
|
O1H 1/2 7/12 1/6 |
|
O2H 7/12 3/4 0 |
|
O3H 7/12 5/12 0 |
|
O1J 3/4 5/12 1/3 |
|
O2J 2/3 .25 1/6 |
|
O3J 2/3 7/12 1/6 |
|
O1K 2/3 1/12 2/3 |
|
O2K 3/4 .25 5/6 |
|
O3K 3/4 1/12 1/3 |
|
O1L 11/12 1/12 2/3 |
|
O2L 5/6 .25 1/2 |
|
O3L 5/6 1/12 0 |
|
O1M 5/6 5/12 0 |
|
O2M 11/12 .25 1/6 |
|
O3M 11/12 7/12 1/6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxene-ideal |
| |
Thompson R M, Downs R T |
|
American Mineralogist 88 (2003) 653-666 |
|
Model pyroxenes I: Ideal pyroxene topologies |
|
Pyroxene #34b based on stacking sequence ABABABCACBAC |
|
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. |
|
_database_code_amcsd 0003045 |
|
19.595917 6 3.4641016 90 90. 90 Pc |
|
atom x y z |
|
Mg1a 1/24 7/12 1/6 |
|
Mg2a 1/24 .25 1/6 |
|
SiA 5/48 1/12 0 |
|
SiB 7/48 5/12 1/3 |
|
Mg1b 5/24 1/12 2/3 |
|
Mg2b 5/24 .25 1/6 |
|
SiC 13/48 7/12 1/2 |
|
SiD 5/16 1/12 1/3 |
|
Mg1c 3/8 5/12 2/3 |
|
Mg2c 3/8 .25 1/6 |
|
SiE 7/16 1/12 2/3 |
|
SiF 23/48 5/12 1/3 |
|
Mg1d 13/24 1/12 1/3 |
|
Mg2d 13/24 .25 5/6 |
|
SiG 29/48 5/12 2/3 |
|
SiH 31/48 1/12 0 |
|
Mg1e 17/24 5/12 0 |
|
Mg2e 17/24 .25 1/2 |
|
SiJ 37/48 1/12 0 |
|
SiK 13/16 5/12 1/3 |
|
Mg1f 7/8 1/12 1/3 |
|
Mg2f 7/8 .25 5/6 |
|
SiL 15/16 7/12 1/2 |
|
SiM 47/48 11/12 1/6 |
|
O1A 1/6 1/12 0 |
|
O2A 1/12 .25 5/6 |
|
O3A 1/12 1/12 1/3 |
|
O1B 1/12 5/12 1/3 |
|
O2B 1/6 .25 1/2 |
|
O3B 1/6 5/12 0 |
|
O1C 1/3 5/12 0 |
|
O2C .25 3/4 1/3 |
|
O3C .25 5/12 1/3 |
|
O1D .25 1/12 1/3 |
|
O2D 1/3 .25 1/2 |
|
O3D 1/3 1/12 0 |
|
O1E 1/2 1/12 2/3 |
|
O2E 5/12 .25 5/6 |
|
O3E 5/12 1/12 1/3 |
|
O1F 5/12 5/12 1/3 |
|
O2F 1/2 .25 1/6 |
|
O3F 1/2 5/12 2/3 |
|
O1G 2/3 5/12 2/3 |
|
O2G 7/12 .25 1/2 |
|
O3G 7/12 5/12 0 |
|
O1H 7/12 1/12 0 |
|
O2H 2/3 .25 1/6 |
|
O3H 2/3 1/12 2/3 |
|
O1J 5/6 1/12 0 |
|
O2J 3/4 .25 5/6 |
|
O3J 3/4 1/12 1/3 |
|
O1K 3/4 5/12 1/3 |
|
O2K 5/6 3/4 0 |
|
O3K 5/6 5/12 0 |
|
O1L 0 5/12 0 |
|
O2L 11/12 .25 1/6 |
|
O3L 11/12 7/12 1/6 |
|
O1M 11/12 1/12 2/3 |
|
O2M 0 .25 1/2 |
|
O3M 0 1/12 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) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
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Total number of retrieved datasets: 