American Mineralogist Crystal Structure Database

14 matching records for this search.

Gillespite
Download hom/gillespite.pdf
Pabst A
Download am/vol28/AM28_372.pdf
American Mineralogist 28 (1943) 372-390
Crystal structure of gillespite, BaFeSi4O10
_database_code_amcsd 0000030
7.495 7.495 16.050 90 90 90 P4/ncc
atom    x    y    z
Ba      0    0    0
Fe      0   .5 .090
Si   .270 .175 .155
O1   .215 .215  .25
O2   .465 .240 .140
O3   .135 .275 .090
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Burnham C W
Download am/vol59/AM59_1166.pdf
American Mineralogist 59 (1974) 1166-1176
The crystal structures of gillespite I and II: A structure determination at
high pressure
P = 1 atm
_database_code_amcsd 0000429
7.5164 7.5164 16.0768 90 90 90 P4/ncc
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba       0     0     0 .00435 .00435 .00062      0      0      0
Fe       0    .5 .0920 .00199 .00199 .00126      0      0      0
Si   .2691 .1854 .1548 .00198 .00180 .00085 -.0000  .0002 -.0002
O1   .2242 .2242   .25  .0116  .0116 .00169 -.0037  .0020 -.0020
O2   .4723 .2475 .1377  .0026  .0093 .00141 -.0006 -.0002  .0011
O3   .1415 .2754 .0900  .0056  .0019 .00306  .0020 -.0021 -.0007
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Burnham C W
Download am/vol59/AM59_1166.pdf
American Mineralogist 59 (1974) 1166-1176
The crystal structures of gillespite I and II: A structure determination at
high pressure
P = 26 kbar, known as gillespite II
_database_code_amcsd 0000430
7.349 7.515 7.894 90 90 90 P2_12_12
atom    x    y    z Biso
Ba      0    0 .000  3.0
Fe      0   .5 .185  1.6
SiA  .680 .215 .330  1.5
SiB  .270 .190 .290  1.4
O1   .255 .265  .48  5.0
O2A  .480 .215 .245  2.9
O2B  .245 .978  .28 13.3
O3A  .230 .635  .21 12.1
O3B  .145 .280 .155  1.9
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Burnham C W
Download am/vol60/AM60_937.pdf
American Mineralogist 60 (1975) 937-938
The Crystal Structure of Gillespite II at 26 Kilobars: Correction and Addendum
_database_code_amcsd 0000472
7.349 7.515 7.894 90 90 90 P2_12_12
atom    x    y     z Biso
Ba      0    0 -.017 1.64
Fe      0 .500  .159  1.6
SiA  .689 .224  .322  1.0
SiB  .261 .188  .297  1.4
O1   .208 .267  .479   .6
O2A  .474 .221  .255  1.4
O2B  .236 .978  .285  4.2
O3A  .232 .625  .207   .4
O3B  .143 .282  .148   .4
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Finger L W
Download am/vol68/AM68_595.pdf
American Mineralogist 68 (1983) 595-603
High-pressure and high-temperature crystallographic study of the gillespite I-II
phase transition
P = 1 bar
Locality: Fresno Co, California, USA
_database_code_amcsd 0000897
7.51605 7.51605 16.0759 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ba     .25   .75     0 .00498 .00498 .00077       0      0       0
Fe     .25   .25 .0919 .00240 .00240 .00138       0      0       0
Si   .5196 .9354 .1549 .00259 .00262 .00096 -.00004 .00025 -.00025
O1   .4740 .9740   .25  .0144  .0144  .0017  -.0048  .0025  -.0025
O2   .7228 .9966 .1375  .0032  .0088  .0017  -.0005      0   .0007
O3   .3905 .0265 .0902  .0057  .0039  .0026   .0015 -.0020  -.0004
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Finger L W
Download am/vol68/AM68_595.pdf
American Mineralogist 68 (1983) 595-603
High-pressure and high-temperature crystallographic study of the gillespite I-II
phase transition
P = 9 kbar
Locality: Fresno Co, California, USA
_database_code_amcsd 0000898
7.492 7.492 15.943 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba     .25   .75     0 0.0060 0.0060 0.0017      0      0      0
Fe     .25   .25 .0908 0.0032 0.0032 0.0014      0      0      0
Si   .5195 .9365 .1550 0.0029 0.0029 0.0023 -.0005 0.0001 -.0003
O1   .4726 .9726   .25  0.015  0.015  0.007  0.001  0.005  -.005
O2   .7232 .9978 .1358 0.0030 0.0099 0.0042 -.0009 -.0005 0.0016
O3   .3907 .0292 .0926 0.0085 0.0060 0.0001 0.0009 -.0023 0.0007
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Finger L W
Download am/vol68/AM68_595.pdf
American Mineralogist 68 (1983) 595-603
High-pressure and high-temperature crystallographic study of the gillespite I-II
phase transition
P = 21 kbar
Locality: Fresno Co, California, USA
_database_code_amcsd 0000899
7.4985 7.3223 7.920 90 90 90 P2_12_12
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba       0     0 -.0267       .0042 .00051  .0056 -.0023      0      0
Fe      .5     0  .1846       .0026  .0027  .0048 -.0005      0      0
Si1  .2186 .6865  .3276       .0033  .0029   .004  .0004  -.002   .000
Si2  .1868 .2564  .2946       .0020  .0023   .016 -.0003   .001  -.002
O1   .2628 .1829  .4741        .007   .009    .06  .0006  -.001  -.006
O2   .2146 .4763  .2761  1.3
O3   .9727 .2219  .2686  1.4
O4   .6285 .2241  .2400  1.2
O5   .2813 .1563  .1401  1.0
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Gillespite
Download hom/gillespite.pdf
Hazen R M, Finger L W
Download am/vol68/AM68_595.pdf
American Mineralogist 68 (1983) 595-603
High-pressure and high-temperature crystallographic study of the gillespite I-II
phase transition
Note O2 y-coordinate changed to reproduce reported bond lengths
P = 45 kbar
Locality: Fresno Co, California, USA
_database_code_amcsd 0000900
7.445 7.224 7.783 90 90 90 P2_12_12
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba       0     0 -.0324       .0036  .0043  .0016 -.0017      0      0
Fe      .5     0 .18400       .0026  .0021  .0100 -.0003      0      0
Si1  .2147 .6875  .3374       .0023  .0022  .0068  .0003 -.0006 -.0010
Si2  .1872 .2542  .2874       .0023  .0021  .0120 -.0002 -.0006 -.0011
O1   .2704 .1813  .4504        .014   .012   .008   .003  -.003   .002
O2   .2065 .4789  .2634  1.1
O3   .9727 .2105  .2812  1.0
O4   .6231 .2256  .2404  1.0
O5   .2810 .1572  .1296  0.8
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Gillespite
Download hom/gillespite.pdf
Belsky H L, Rossman G R, Prewitt C T, Gasparik T
Download am/vol69/AM69_771.pdf
American Mineralogist 69 (1984) 771-776
Crystal structure and optical spectroscopy (300 to 2200 nm) of CaCrSi4O10
_database_code_amcsd 0000954
7.378 7.378 15.119 90 90 90 P4/ncc
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca        0      0      0 .00307 .00307 .00092       0       0       0
Cr        0     .5 .07951 .00171 .00171 .00127       0       0       0
Si   .25310 .17208 .14801 .00185 .00189 .00084 0.00009 0.00003 -.00006
O1   .20819 .20819    .25 .00809 .00809 .00180 -.00125 0.00068 -.00068
O2   .45499 .24829 .12833 .00168 .00511 .00159 -.00067 -.00015 0.00050
O3   .10627 .25049 .08189 .00262 .00221 .00183 0.00049 -.00059 -.00005
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Gillespite
Download hom/gillespite.pdf
Miletich R, Allan D R, Angel R J
Download am/vol82/AM82_697.pdf
American Mineralogist 82 (1997) 697-707
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
the gillespite-type ABSi4O10 series
BaCrSi4O10
_database_code_amcsd 0001911
7.5314 7.5314 16.0518 90 90 90 *P4/ncc
.25 -.25 0
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ba      .25    .75      0 .00651 .00651 .00117       0       0       0
Cr      .25    .25 .09181 .00419 .00419 .00170       0       0       0
Si   .51961 .93512 .15441 .00491 .00493 .00112  .00032  .00007 -.00008
O1   .47275 .97275    .25 .01530 .01530 .00126 -.00202  .00140 -.00140
O2   .72301 .99639 .13722 .00444 .00951 .00203 -.00074 -.00007  .00067
O3   .39096 .02503 .08973 .00701 .00544 .00255  .00122 -.00151 -.00066
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Gillespite
Download hom/gillespite.pdf
Miletich R, Allan D R, Angel R J
Download am/vol82/AM82_697.pdf
American Mineralogist 82 (1997) 697-707
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
the gillespite-type ABSi4O10 series
SrCrSi4O10
_database_code_amcsd 0001912
7.4562 7.4562 15.5414 90 90 90 *P4/ncc
.25 -.25 0
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sr      .25    .75      0 .00518 .00518 .00128       0       0       0
Cr      .25    .25 .08564 .00368 .00368 .00164       0       0       0
Si   .50962 .92707 .15094 .00360 .00428 .00124  .00001  .00010 -.00002
O1   .46361 .96361    .25 .01102 .01102 .00173 -.00131  .00117 -.00117
O2   .71284 .99735 .13192 .00434 .00842 .00186 -.00094 -.00026  .00062
O3   .37015 .01058 .08572 .00460 .00385 .00252  .00130 -.00114  .00051
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Gillespite
Download hom/gillespite.pdf
Miletich R, Allan D R, Angel R J
Download am/vol82/AM82_697.pdf
American Mineralogist 82 (1997) 697-707
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
the gillespite-type ABSi4O10 series
CaCrSi4O10
_database_code_amcsd 0001913
7.3772 7.3772 15.1231 90 90 90 *P4/ncc
.25 -.25 0
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca      .25    .75      0 .00517 .00517 .00246       0       0       0
Cr      .25    .25 .07914 .00392 .00392 .00276       0       0       0
Si   .50303 .92233 .14768 .00430 .00423 .00248 -.00005 -.00001 -.00018
O1   .45734 .95734    .25 .01147 .01147 .00248 -.00089  .00078 -.00078
O2   .70527 .99877 .12658 .00387 .00863 .00364 -.00095  .00016 -.00058
O3   .35742 .00147 .08218 .00494 .00482 .00336  .00059 -.00012  .00050
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Gillespite
Download hom/gillespite.pdf
Knight K S, Marshall W G, Henderson C M B, Chamberlain A A
 
European Journal of Mineralogy 25 (2013) 909-917
Equation of state and a high-pressure structural phase transition
in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Note: P = 4.13 GPa
Locality: synthetic
_database_code_amcsd 0020151
7.2958 7.2958 15.396 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z occ
Ba     .25   .75     0  .5
Sr     .25   .75     0  .5
Cu     .25   .25 .0868
Si   .5191 .9352 .1503
O1   .4440 .0016 .2430  .5
O2   .7202 .9945 .1306
O3   .3798 .0233 .0834
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Gillespite
Download hom/gillespite.pdf
Knight K S, Marshall W G, Henderson C M B, Chamberlain A A
 
European Journal of Mineralogy 25 (2013) 909-917
Equation of state and a high-pressure structural phase transition
in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Note: P = 4.77 GPa
Locality: synthetic
_database_code_amcsd 0020152
7.2623 7.2623 15.252 90 90 90 *P42_12
.25 -.25 0
atom     x     y     z occ
Ba     .25   .75 .0002  .5
Sr     .25   .75 .0002  .5
Cua    .25   .25 .0733
Cub    .25   .25 .5820
Sia  .5177 .9244 .1519
Sib  .9461 .5134 .6485
O1a  .5055 .9338 .2579  .5
O1b  .9377 .5097 .7556  .5
O2a  .7137 .0010 .1204
O2b  .0015 .7268 .6384
O3a  .3538 .0413 .1096
O3b  .0404 .3930 .5714
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Total number of retrieved datasets: 14
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