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Gillespite |
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Pabst A |
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American Mineralogist 28 (1943) 372-390 |
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Crystal structure of gillespite, BaFeSi4O10 |
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_database_code_amcsd 0000030 |
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7.495 7.495 16.050 90 90 90 P4/ncc |
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atom x y z |
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Ba 0 0 0 |
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Fe 0 .5 .090 |
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Si .270 .175 .155 |
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O1 .215 .215 .25 |
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O2 .465 .240 .140 |
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O3 .135 .275 .090 |
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Gillespite |
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Hazen R M, Burnham C W |
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American Mineralogist 59 (1974) 1166-1176 |
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The crystal structures of gillespite I and II: A structure determination at |
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high pressure |
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P = 1 atm |
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_database_code_amcsd 0000429 |
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7.5164 7.5164 16.0768 90 90 90 P4/ncc |
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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) |
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Ba 0 0 0 .00435 .00435 .00062 0 0 0 |
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Fe 0 .5 .0920 .00199 .00199 .00126 0 0 0 |
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Si .2691 .1854 .1548 .00198 .00180 .00085 -.0000 .0002 -.0002 |
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O1 .2242 .2242 .25 .0116 .0116 .00169 -.0037 .0020 -.0020 |
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O2 .4723 .2475 .1377 .0026 .0093 .00141 -.0006 -.0002 .0011 |
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O3 .1415 .2754 .0900 .0056 .0019 .00306 .0020 -.0021 -.0007 |
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Gillespite |
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Hazen R M, Burnham C W |
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American Mineralogist 59 (1974) 1166-1176 |
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The crystal structures of gillespite I and II: A structure determination at |
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high pressure |
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P = 26 kbar, known as gillespite II |
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_database_code_amcsd 0000430 |
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7.349 7.515 7.894 90 90 90 P2_12_12 |
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atom x y z Biso |
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Ba 0 0 .000 3.0 |
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Fe 0 .5 .185 1.6 |
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SiA .680 .215 .330 1.5 |
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SiB .270 .190 .290 1.4 |
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O1 .255 .265 .48 5.0 |
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O2A .480 .215 .245 2.9 |
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O2B .245 .978 .28 13.3 |
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O3A .230 .635 .21 12.1 |
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O3B .145 .280 .155 1.9 |
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Gillespite |
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Hazen R M, Burnham C W |
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American Mineralogist 60 (1975) 937-938 |
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The Crystal Structure of Gillespite II at 26 Kilobars: Correction and Addendum |
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_database_code_amcsd 0000472 |
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7.349 7.515 7.894 90 90 90 P2_12_12 |
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atom x y z Biso |
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Ba 0 0 -.017 1.64 |
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Fe 0 .500 .159 1.6 |
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SiA .689 .224 .322 1.0 |
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SiB .261 .188 .297 1.4 |
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O1 .208 .267 .479 .6 |
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O2A .474 .221 .255 1.4 |
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O2B .236 .978 .285 4.2 |
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O3A .232 .625 .207 .4 |
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O3B .143 .282 .148 .4 |
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Gillespite |
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Hazen R M, Finger L W |
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American Mineralogist 68 (1983) 595-603 |
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High-pressure and high-temperature crystallographic study of the gillespite I-II |
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phase transition |
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P = 1 bar |
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Locality: Fresno Co, California, USA |
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_database_code_amcsd 0000897 |
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7.51605 7.51605 16.0759 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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) |
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Ba .25 .75 0 .00498 .00498 .00077 0 0 0 |
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Fe .25 .25 .0919 .00240 .00240 .00138 0 0 0 |
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Si .5196 .9354 .1549 .00259 .00262 .00096 -.00004 .00025 -.00025 |
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O1 .4740 .9740 .25 .0144 .0144 .0017 -.0048 .0025 -.0025 |
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O2 .7228 .9966 .1375 .0032 .0088 .0017 -.0005 0 .0007 |
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O3 .3905 .0265 .0902 .0057 .0039 .0026 .0015 -.0020 -.0004 |
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Gillespite |
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Hazen R M, Finger L W |
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American Mineralogist 68 (1983) 595-603 |
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High-pressure and high-temperature crystallographic study of the gillespite I-II |
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phase transition |
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P = 9 kbar |
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Locality: Fresno Co, California, USA |
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_database_code_amcsd 0000898 |
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7.492 7.492 15.943 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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) |
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Ba .25 .75 0 0.0060 0.0060 0.0017 0 0 0 |
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Fe .25 .25 .0908 0.0032 0.0032 0.0014 0 0 0 |
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Si .5195 .9365 .1550 0.0029 0.0029 0.0023 -.0005 0.0001 -.0003 |
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O1 .4726 .9726 .25 0.015 0.015 0.007 0.001 0.005 -.005 |
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O2 .7232 .9978 .1358 0.0030 0.0099 0.0042 -.0009 -.0005 0.0016 |
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O3 .3907 .0292 .0926 0.0085 0.0060 0.0001 0.0009 -.0023 0.0007 |
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| |
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Gillespite |
|
Hazen R M, Finger L W |
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American Mineralogist 68 (1983) 595-603 |
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High-pressure and high-temperature crystallographic study of the gillespite I-II |
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phase transition |
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P = 21 kbar |
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Locality: Fresno Co, California, USA |
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_database_code_amcsd 0000899 |
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7.4985 7.3223 7.920 90 90 90 P2_12_12 |
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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) |
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Ba 0 0 -.0267 .0042 .00051 .0056 -.0023 0 0 |
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Fe .5 0 .1846 .0026 .0027 .0048 -.0005 0 0 |
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Si1 .2186 .6865 .3276 .0033 .0029 .004 .0004 -.002 .000 |
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Si2 .1868 .2564 .2946 .0020 .0023 .016 -.0003 .001 -.002 |
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O1 .2628 .1829 .4741 .007 .009 .06 .0006 -.001 -.006 |
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O2 .2146 .4763 .2761 1.3 |
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O3 .9727 .2219 .2686 1.4 |
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O4 .6285 .2241 .2400 1.2 |
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O5 .2813 .1563 .1401 1.0 |
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| |
|
Gillespite |
|
Hazen R M, Finger L W |
|
American Mineralogist 68 (1983) 595-603 |
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High-pressure and high-temperature crystallographic study of the gillespite I-II |
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phase transition |
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Note O2 y-coordinate changed to reproduce reported bond lengths |
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P = 45 kbar |
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Locality: Fresno Co, California, USA |
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_database_code_amcsd 0000900 |
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7.445 7.224 7.783 90 90 90 P2_12_12 |
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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) |
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Ba 0 0 -.0324 .0036 .0043 .0016 -.0017 0 0 |
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Fe .5 0 .18400 .0026 .0021 .0100 -.0003 0 0 |
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Si1 .2147 .6875 .3374 .0023 .0022 .0068 .0003 -.0006 -.0010 |
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Si2 .1872 .2542 .2874 .0023 .0021 .0120 -.0002 -.0006 -.0011 |
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O1 .2704 .1813 .4504 .014 .012 .008 .003 -.003 .002 |
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O2 .2065 .4789 .2634 1.1 |
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O3 .9727 .2105 .2812 1.0 |
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O4 .6231 .2256 .2404 1.0 |
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O5 .2810 .1572 .1296 0.8 |
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| |
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Gillespite |
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Belsky H L, Rossman G R, Prewitt C T, Gasparik T |
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American Mineralogist 69 (1984) 771-776 |
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Crystal structure and optical spectroscopy (300 to 2200 nm) of CaCrSi4O10 |
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_database_code_amcsd 0000954 |
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7.378 7.378 15.119 90 90 90 P4/ncc |
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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) |
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Ca 0 0 0 .00307 .00307 .00092 0 0 0 |
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Cr 0 .5 .07951 .00171 .00171 .00127 0 0 0 |
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Si .25310 .17208 .14801 .00185 .00189 .00084 0.00009 0.00003 -.00006 |
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O1 .20819 .20819 .25 .00809 .00809 .00180 -.00125 0.00068 -.00068 |
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O2 .45499 .24829 .12833 .00168 .00511 .00159 -.00067 -.00015 0.00050 |
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O3 .10627 .25049 .08189 .00262 .00221 .00183 0.00049 -.00059 -.00005 |
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Gillespite |
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Miletich R, Allan D R, Angel R J |
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American Mineralogist 82 (1997) 697-707 |
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The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in |
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the gillespite-type ABSi4O10 series |
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BaCrSi4O10 |
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_database_code_amcsd 0001911 |
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7.5314 7.5314 16.0518 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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) |
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Ba .25 .75 0 .00651 .00651 .00117 0 0 0 |
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Cr .25 .25 .09181 .00419 .00419 .00170 0 0 0 |
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Si .51961 .93512 .15441 .00491 .00493 .00112 .00032 .00007 -.00008 |
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O1 .47275 .97275 .25 .01530 .01530 .00126 -.00202 .00140 -.00140 |
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O2 .72301 .99639 .13722 .00444 .00951 .00203 -.00074 -.00007 .00067 |
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O3 .39096 .02503 .08973 .00701 .00544 .00255 .00122 -.00151 -.00066 |
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Gillespite |
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Miletich R, Allan D R, Angel R J |
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American Mineralogist 82 (1997) 697-707 |
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The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in |
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the gillespite-type ABSi4O10 series |
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SrCrSi4O10 |
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_database_code_amcsd 0001912 |
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7.4562 7.4562 15.5414 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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) |
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Sr .25 .75 0 .00518 .00518 .00128 0 0 0 |
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Cr .25 .25 .08564 .00368 .00368 .00164 0 0 0 |
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Si .50962 .92707 .15094 .00360 .00428 .00124 .00001 .00010 -.00002 |
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O1 .46361 .96361 .25 .01102 .01102 .00173 -.00131 .00117 -.00117 |
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O2 .71284 .99735 .13192 .00434 .00842 .00186 -.00094 -.00026 .00062 |
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O3 .37015 .01058 .08572 .00460 .00385 .00252 .00130 -.00114 .00051 |
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| Download AMC data (View Text File)
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| |
|
Gillespite |
|
Miletich R, Allan D R, Angel R J |
|
American Mineralogist 82 (1997) 697-707 |
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The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in |
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the gillespite-type ABSi4O10 series |
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CaCrSi4O10 |
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_database_code_amcsd 0001913 |
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7.3772 7.3772 15.1231 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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) |
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Ca .25 .75 0 .00517 .00517 .00246 0 0 0 |
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Cr .25 .25 .07914 .00392 .00392 .00276 0 0 0 |
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Si .50303 .92233 .14768 .00430 .00423 .00248 -.00005 -.00001 -.00018 |
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O1 .45734 .95734 .25 .01147 .01147 .00248 -.00089 .00078 -.00078 |
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O2 .70527 .99877 .12658 .00387 .00863 .00364 -.00095 .00016 -.00058 |
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O3 .35742 .00147 .08218 .00494 .00482 .00336 .00059 -.00012 .00050 |
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| |
|
Gillespite |
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Knight K S, Marshall W G, Henderson C M B, Chamberlain A A |
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European Journal of Mineralogy 25 (2013) 909-917 |
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Equation of state and a high-pressure structural phase transition |
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in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
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Note: P = 4.13 GPa |
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Locality: synthetic |
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_database_code_amcsd 0020151 |
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7.2958 7.2958 15.396 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ |
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Ba .25 .75 0 .5 |
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Sr .25 .75 0 .5 |
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Cu .25 .25 .0868 |
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Si .5191 .9352 .1503 |
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O1 .4440 .0016 .2430 .5 |
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O2 .7202 .9945 .1306 |
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O3 .3798 .0233 .0834 |
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| Download AMC data (View Text File)
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| |
|
Gillespite |
|
Knight K S, Marshall W G, Henderson C M B, Chamberlain A A |
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European Journal of Mineralogy 25 (2013) 909-917 |
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Equation of state and a high-pressure structural phase transition |
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in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
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Note: P = 4.77 GPa |
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Locality: synthetic |
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_database_code_amcsd 0020152 |
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7.2623 7.2623 15.252 90 90 90 *P42_12 |
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.25 -.25 0 |
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atom x y z occ |
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Ba .25 .75 .0002 .5 |
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Sr .25 .75 .0002 .5 |
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Cua .25 .25 .0733 |
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Cub .25 .25 .5820 |
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Sia .5177 .9244 .1519 |
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Sib .9461 .5134 .6485 |
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O1a .5055 .9338 .2579 .5 |
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O1b .9377 .5097 .7556 .5 |
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O2a .7137 .0010 .1204 |
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O2b .0015 .7268 .6384 |
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O3a .3538 .0413 .1096 |
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O3b .0404 .3930 .5714 |
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| Download AMC data (View Text File)
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| |
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