|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
 |
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 0 GPa |
|
_database_code_amcsd 0002569 |
|
9.798 9.140 5.205 90 101.80 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9076 .25 .56 |
|
Fe2 0 .2709 .25 .54 |
|
Ge .3006 .0925 .2161 .362 |
|
O1 .1186 .0899 .1388 .54 |
|
O2 .3840 .2402 .3833 .58 |
|
O3 .3583 .0647 .9161 .58 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 1.5 GPa |
|
_database_code_amcsd 0002570 |
|
9.746 9.084 5.177 90 101.52 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9084 .25 1.48 |
|
Fe2 0 .2715 .25 1.45 |
|
Ge .3011 .0927 .2155 1.38 |
|
O1 .1193 .0891 .1366 1.52 |
|
O2 .3875 .2418 .3845 1.87 |
|
O3 .3601 .0661 .9127 1.57 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 4.5 GPa |
|
_database_code_amcsd 0002571 |
|
9.651 8.988 5.136 90 100.97 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9101 .25 1.43 |
|
Fe2 0 .2723 .25 1.38 |
|
Ge .3015 .0936 .2145 1.27 |
|
O1 .1181 .0910 .1350 1.37 |
|
O2 .3860 .2440 .3879 1.47 |
|
O3 .3645 .0657 .9134 1.44 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 7.4 GPa |
|
_database_code_amcsd 0002572 |
|
9.600 8.912 5.108 90 100.67 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9111 .25 1.49 |
|
Fe2 0 .2727 .25 1.48 |
|
Ge .3023 .0941 .2138 1.41 |
|
O1 .1193 .0910 .1360 1.39 |
|
O2 .3806 .2465 .3867 1.67 |
|
O3 .3654 .0656 .9098 1.63 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 8.2 GPa |
|
_database_code_amcsd 0002573 |
|
9.583 8.883 5.093 90 100.56 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9115 .25 1.32 |
|
Fe2 0 .2728 .25 1.26 |
|
Ge .3022 .0943 .2136 1.27 |
|
O1 .1197 .0898 .1340 1.49 |
|
O2 .3820 .2463 .3848 1.63 |
|
O3 .3629 .0680 .9081 1.37 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample: Ideal pyroxene structure |
|
_database_code_amcsd 0002574 |
|
9.287 8.400 4.850 90 100.025 90 C2/c |
|
atom x y z |
|
Fe1 0 11/12 .25 |
|
Fe2 0 .25 .25 |
|
Ge 5/16 1/12 3/16 |
|
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
|
| |
|
Cordierite |
 |
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 0.1 MPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007383 |
|
17.071 9.715 9.344 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .16248 .5 .25 .0088 |
|
Al11 .25 .25 .2505 .0075 |
|
Si16 0 .5 .25 .0067 |
|
Si21 .19281 .0782 0 .0053 |
|
Al26 .0506 .3085 0 .0062 |
|
Si23 -.13544 .2376 0 .0060 |
|
O11 .2468 .1029 .1407 .0083 |
|
O16 .0625 .4156 .1506 .0084 |
|
O13 -.1733 .3100 .1413 .0077 |
|
O21 .1226 .1846 0 .0112 |
|
O26 -.0433 .2491 0 .0117 |
|
O23 -.1638 .0803 0 .0135 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 0.3 GPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007384 |
|
17.058 9.724 9.336 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .1629 .5 .25 .0146 |
|
Al11 .25 .25 .2493 .0138 |
|
Si16 0 .5 .25 .0133 |
|
Si21 .1938 .0778 0 .0133 |
|
Al26 .0501 .3073 0 .0096 |
|
Si23 -.1354 .2376 0 .0117 |
|
O11 .2483 .1038 .1416 .0125 |
|
O16 .0611 .4167 .1509 .0172 |
|
O13 -.1737 .3088 .1424 .0209 |
|
O21 .1223 .1880 0 .0217 |
|
O26 -.0440 .2515 0 .0092 |
|
O23 -.1646 .0793 0 .0153 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 0.9 GPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007385 |
|
17.040 9.702 9.320 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .1626 .5 .25 .0069 |
|
Al11 .25 .25 .2500 .0074 |
|
Si16 0 .5 .25 .0063 |
|
Si21 .1930 .0780 0 .0055 |
|
Al26 .0509 .3077 0 .0058 |
|
Si23 -.1352 .2378 0 .0064 |
|
O11 .2473 .1032 .1416 .0071 |
|
O16 .0618 .4158 .1511 .0084 |
|
O13 -.1733 .3110 .1410 .0067 |
|
O21 .1228 .1842 0 .0100 |
|
O26 -.0431 .2485 0 .0116 |
|
O23 -.1650 .0795 0 .0099 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 1.2 GPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007386 |
|
17.013 9.680 9.3035 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .1622 .5 .25 .0069 |
|
Al11 .25 .25 .2503 .0072 |
|
Si16 0 .5 .25 .0061 |
|
Si21 .1930 .0779 0 .0042 |
|
Al26 .0506 .3083 0 .0051 |
|
Si23 -.1351 .2374 0 .0057 |
|
O11 .2474 .1031 .1421 .0068 |
|
O16 .0624 .4154 .1506 .0078 |
|
O13 -.1733 .3116 .1423 .0078 |
|
O21 .1228 .1851 0 .0112 |
|
O26 -.0428 .2480 0 .0082 |
|
O23 -.1647 .0806 0 .0106 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 2.3 GPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007387 |
|
16.990 9.680 9.293 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .1624 .5 .25 .0084 |
|
Al11 .25 .25 .2503 .0075 |
|
Si16 0 .5 .25 .0081 |
|
Si21 .1932 .0769 0 .0060 |
|
Al26 .0514 .3076 0 .0063 |
|
Si23 -.1350 .2368 0 .0062 |
|
O11 .2476 .1022 .1420 .0092 |
|
O16 .0625 .4157 .1503 .0075 |
|
O13 -.1734 .3138 .1415 .0122 |
|
O21 .1239 .1825 0 .0099 |
|
O26 -.0424 .2462 0 .0129 |
|
O23 -.1656 .0778 0 .0132 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Koepke J, Schulz H |
| |
Physics and Chemistry of Minerals 13 (1986) 165-173 |
|
Single crystal structure investigations under high-pressure of the |
|
mineral cordierite with an improved high-pressure cell |
|
Sample: P = 2.2 GPa |
|
Locality: Zabargad island, Red Sea |
|
_database_code_amcsd 0007388 |
|
16.975 9.647 9.274 90 90 90 Cccm |
|
atom x y z Uiso |
|
Mg .1622 .5 .25 .0074 |
|
Al11 .25 .25 .2473 .0076 |
|
Si16 0 .5 .25 .0032 |
|
Si21 .1938 .0770 0 .0063 |
|
Al26 .0520 .3055 0 .0069 |
|
Si23 -.1348 .2369 0 .0011 |
|
O11 .2473 .1033 .1426 .0058 |
|
O16 .0625 .4152 .1502 .0065 |
|
O13 -.1734 .3127 .1414 .0055 |
|
O21 .1227 .1833 0 .0050 |
|
O26 -.0430 .2441 0 .0182 |
|
O23 -.1646 .0812 0 .0098 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalininite |
|
Wittlinger J, Werner S, Schulz H |
| |
Physics and Chemistry of Minerals 24 (1997) 597-600 |
|
On the amorphisation of ZnCr2S4 spinel under high pressure: |
|
x-ray diffraction studies |
|
Sample: P = 0 GPa |
|
_database_code_amcsd 0008103 |
|
9.9736 9.9736 9.9736 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .125 .125 .125 .00848 .00848 .00848 0 0 0 |
|
Cr .5 .5 .5 .00600 .00600 .00600 .00008 .00008 .00008 |
|
S .25958 .25958 .25958 .00652 .00652 .00652 -.00030 -.00030 -.00030 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalininite |
|
Wittlinger J, Werner S, Schulz H |
| |
Physics and Chemistry of Minerals 24 (1997) 597-600 |
|
On the amorphisation of ZnCr2S4 spinel under high pressure: |
|
x-ray diffraction studies |
|
Sample: P = 1.06 GPa |
|
_database_code_amcsd 0008104 |
|
9.9306 9.9306 9.9306 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .125 .125 .125 .0074 .0074 .0074 0 0 0 |
|
Cr .5 .5 .5 .0055 .0055 .0055 .0007 .0007 .0007 |
|
S .2592 .2592 .2592 .0047 .0047 .0047 .0001 .0001 .0001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalininite |
|
Wittlinger J, Werner S, Schulz H |
| |
Physics and Chemistry of Minerals 24 (1997) 597-600 |
|
On the amorphisation of ZnCr2S4 spinel under high pressure: |
|
x-ray diffraction studies |
|
Sample: P = 4.2 GPa |
|
_database_code_amcsd 0008105 |
|
9.8415 9.8415 9.8415 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .125 .125 .125 .0076 .0076 .0076 0 0 0 |
|
Cr .5 .5 .5 .0067 .0067 .0067 -.0004 -.0004 -.0004 |
|
S .2593 .2593 .2593 .0059 .0059 .0059 .0011 .0011 .0011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalininite |
|
Wittlinger J, Werner S, Schulz H |
| |
Physics and Chemistry of Minerals 24 (1997) 597-600 |
|
On the amorphisation of ZnCr2S4 spinel under high pressure: |
|
x-ray diffraction studies |
|
Sample: P = 7.19 GPa |
|
_database_code_amcsd 0008106 |
|
9.7738 9.7738 9.7738 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .125 .125 .125 .007 .007 .007 0 0 0 |
|
Cr .5 .5 .5 .005 .005 .005 -.003 -.003 -.003 |
|
S .2590 .2590 .2590 .004 .004 .004 .001 .001 .001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
 |
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0009860 |
|
7.189 4.407 5.069 90 89.96 90 C2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Au 0 0 0 .0152 .0205 .0139 0 .0020 0 |
|
Te .6884 0 .2878 .0167 .0103 .0104 0 .0017 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = <0.5 GPa |
|
_database_code_amcsd 0009861 |
|
7.189 4.407 5.069 90 89.96 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0132 |
|
Te .6879 0 .2889 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 0.41 GPa |
|
_database_code_amcsd 0009862 |
|
7.171 4.385 5.064 90 90.04 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0146 |
|
Te .6875 0 .2887 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 0.63 GPa |
|
_database_code_amcsd 0009863 |
|
7.164 4.371 5.064 90 90.00 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0114 |
|
Te .6871 0 .2897 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 1.63 GPa |
|
_database_code_amcsd 0009864 |
|
7.129 4.314 5.036 90 90.15 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0132 |
|
Te .6840 0 .2907 .0087 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 1.78 GPa |
|
_database_code_amcsd 0009865 |
|
7.11 4.29 5.05 90 90.3 90 C2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Au 0 0 0 .0130 .0180 .0126 0 .0043 0 |
|
Te .6832 0 .2903 .0161 .0156 .0105 0 .0051 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 1.89 GPa |
|
_database_code_amcsd 0009866 |
|
7.100 4.286 5.029 90 90.30 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0137 |
|
Te .6826 0 .2915 .0109 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 2.40 GPa |
|
_database_code_amcsd 0009867 |
|
7.100 4.221 5.029 90 90.40 90 C2/m |
|
atom x y z Uiso |
|
Au 0 0 0 .0111 |
|
Te .6773 0 .2914 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 3.72 GPa |
|
_database_code_amcsd 0009868 |
|
4.100 4.100 5.021 90 90 120 P-3m1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Au 0 0 0 .0129 .0129 .0125 .0064 0 0 |
|
Te 2/3 1/3 .2919 .0144 .0144 .0128 .0072 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Calaverite |
|
Reithmayer K, Steurer W, Schulz H, de Boer J L |
|
Acta Crystallographica B49 (1993) 6-11 |
|
High-pressure single-crystal structure study on calaverite, AuTe2 |
|
Locality: synthetic |
|
Sample: P = 5.13 GPa |
|
_database_code_amcsd 0009869 |
|
4.078 4.078 5.000 90 90 120 P-3m1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Au 0 0 0 .0117 .0117 .0074 .0059 0 0 |
|
Te 2/3 1/3 .2932 .0105 .0105 .0104 .0052 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Churchite-(Y) |
|
Kohlmann M, Sowa H, Reithmayer K, Schulz H, Kruger R R, Abriel W |
|
Acta Crystallographica C50 (1994) 1651-1652 |
|
Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation |
|
Note: anisoU's taken from ICSD |
|
Note: isostructural with gypsum |
|
Locality: synthetic |
|
_database_code_amcsd 0010295 |
|
5.578 15.006 6.275 90 117.83 90 I2/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y .25 .8289 0 .947 .0059 .0038 .0078 .0061 0 .0000 0 |
|
Dy .25 .8289 0 .028 .0059 .0038 .0078 .0061 0 .0000 0 |
|
Er .25 .8289 0 .018 .0059 .0038 .0078 .0061 0 .0000 0 |
|
Gd .25 .8289 0 .007 .0059 .0038 .0078 .0061 0 .0000 0 |
|
P .25 .3307 0 .013 .009 .013 .017 0 .004 0 |
|
O1 .302 .3857 .224 .020 .018 .026 .017 -.006 .004 .003 |
|
O2 .506 .2714 .084 .015 .008 .022 .015 -.002 -.001 .002 |
|
Wat3 .630 .0680 .218 .022 .022 .018 .025 .003 .012 -.004 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quartz |
|
Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
| |
Zeitschrift fur Kristallographie 198 (1992) 177-212 |
|
Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
|
P = room pressure |
|
_database_code_amcsd 0011007 |
|
4.921 4.921 5.4163 90 90 120 *P3_121 |
|
0 0 .3333333333333333 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .4698 0 0 .0049 .0041 .0046 .00205 .0001 .0002 |
|
O .4151 .2675 -.1194 .014 .0102 .0101 .0091 .0029 .0036 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quartz |
|
Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
| |
Zeitschrift fur Kristallographie 198 (1992) 177-212 |
|
Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
|
P = 4.0GPa = 40 kbar |
|
_database_code_amcsd 0011008 |
|
4.775 4.775 5.3046 90 90 120 *P3_121 |
|
0 0 .3333333333333333 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .4570 0 0 .0012 .0020 .0069 .0010 .0001 .0002 |
|
O .4080 .2881 -.1033 .017 .0090 .011 .010 .003 .001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quartz |
|
Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
| |
Zeitschrift fur Kristallographie 198 (1992) 177-212 |
|
Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
|
P = 7.2GPa = 72 kbar |
|
_database_code_amcsd 0011009 |
|
4.6764 4.6764 5.2475 90 90 120 *P3_121 |
|
0 0 .3333333333333333 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .4503 0 0 .0053 .0041 .0051 .00205 .0003 .0006 |
|
O .4012 .2971 -.0961 .0119 .0082 .0083 .0070 .0026 .0030 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quartz |
|
Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
| |
Zeitschrift fur Kristallographie 198 (1992) 177-212 |
|
Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
|
P = 10.2GPa = 102 kbar |
|
_database_code_amcsd 0011010 |
|
4.604 4.604 5.207 90 90 120 *P3_121 |
|
0 0 .3333333333333333 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .4458 0 0 .0052 .0039 .0048 .00195 .0003 .0006 |
|
O .3951 .3031 -.0921 .0106 .0072 .0076 .0061 .0017 .0020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hessite |
|
Schneider J, Schulz H |
|
Zeitschrift fur Kristallographie 203 (1993) 1-15 |
|
X-ray powder diffraction of Ag2Te at temperatures up to 1123 K |
|
Locality: synthetic |
|
Note: T = 297 K |
|
_database_code_amcsd 0011030 |
|
8.16160 4.46651 8.97335 90 124.1528 90 P2_1/c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag1 .0190 .1496 .3714 .0111 .020 .0054 -.001 .0048 .000 |
|
Ag2 .3327 .8404 .9967 .0097 .041 .0073 .005 .0018 -.0052 |
|
Te .2712 .1601 .2425 .0046 .007 .0039 -.0008 .0021 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ag2Te |
| |
Schneider J, Schulz H |
|
Zeitschrift fur Kristallographie 203 (1993) 1-15 |
|
X-ray powder diffraction of Ag2Te at temperatures up to 1123 K |
|
Note: T = 523 K, this is the alpha phase |
|
Locality: synthetic |
|
_database_code_amcsd 0011031 |
|
6.6016 6.6016 6.6016 90 90 90 Fm3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag1 .266 .266 .266 .160 .051 .051 .051 .036 .036 .036 |
|
Ag2 .400 .400 .5 .060 11.2 |
|
Te 0 0 0 10.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ag2Te |
| |
Schneider J, Schulz H |
|
Zeitschrift fur Kristallographie 203 (1993) 1-15 |
|
X-ray powder diffraction of Ag2Te at temperatures up to 1123 K |
|
Note: T = 723 K, this is the alpha phase |
|
Locality: synthetic |
|
_database_code_amcsd 0011032 |
|
6.6433 6.6433 6.6433 90 90 90 Fm3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag1 .261 .261 .261 .133 .060 .060 .060 .035 .035 .035 |
|
Ag2 .3813 .3813 .5 .078 11.2 |
|
Te 0 0 0 15.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ag2Te |
| |
Schneider J, Schulz H |
|
Zeitschrift fur Kristallographie 203 (1993) 1-15 |
|
X-ray powder diffraction of Ag2Te at temperatures up to 1123 K |
|
Note: T = 923 K, this is the alpha phase |
|
Locality: synthetic |
|
_database_code_amcsd 0011033 |
|
6.6808 6.6808 6.6808 90 90 90 Fm3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag1 .255 .255 .255 .118 .070 .070 .070 .033 .033 .033 |
|
Ag2 .3687 .3687 .5 .088 15.2 |
|
Te 0 0 0 19.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ag2Te |
| |
Schneider J, Schulz H |
|
Zeitschrift fur Kristallographie 203 (1993) 1-15 |
|
X-ray powder diffraction of Ag2Te at temperatures up to 1123 K |
|
Note: T = 1123 K, this is the gamma phase |
|
Locality: synthetic |
|
_database_code_amcsd 0011034 |
|
5.3287 5.3287 5.3287 90 90 90 Fm3m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ag .25 0 .5 1/3 .51 .52 .52 0 0 0 |
|
Te 0 0 0 14.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
(Cu0.85Fe0.15)(Re2.85Mo1.15)S8 |
| |
Kohlmann M, Schulz H |
|
Zeitschrift fur Kristallographie 204 (1993) 287-288 |
|
Crystal structure of copper iron rhenium molybdenium sulfide, |
|
(Cu0.85Fe0.15)(Re2.85Mo1.15)S8 |
|
_database_code_amcsd 0011037 |
|
9.5715 9.5715 9.5715 90 90 90 F-43m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu 0 0 0 .85 .010 .010 .010 0 0 0 |
|
Fe 0 0 0 .15 .010 .010 .010 0 0 0 |
|
Re .39577 .39577 .39577 .71 .0046 .0046 .0046 -.0002 -.0002 -.0002 |
|
Mo .39577 .39577 .39577 .29 .0046 .0046 .0046 -.0002 -.0002 -.0002 |
|
Sl .6364 .6364 .6364 .006 .006 .006 -.0009 -.0009 -.0009 |
|
S2 .1349 .1349 .1349 .006 .006 .006 -.0012 -.0012 -.0012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Huanzalaite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 0.0001 GPa, in air |
|
_database_code_amcsd 0011046 |
|
4.696 5.683 4.945 90 90.83 90 P2/c |
|
atom x y z Uiso |
|
Mg .5 .6742 .25 .0079 |
|
W 0 .1819 .25 .0052 |
|
O1 .216 .107 .937 .0084 |
|
O2 .256 .3766 .397 .0070 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Huanzalaite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = .0001 GPa, in diamond anvil cell |
|
_database_code_amcsd 0011047 |
|
4.695 5.6834 4.9371 90 90.93 90 P2/c |
|
atom x y z Uiso |
|
Mg .5 .675 .25 .008 |
|
W 0 .1818 .25 .0061 |
|
O1 .220 .106 .935 .010 |
|
O2 .255 .377 .401 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Huanzalaite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 3.02 GPa |
|
_database_code_amcsd 0011048 |
|
4.660 5.6406 4.910 90 90.64 90 P2/c |
|
atom x y z Uiso |
|
Mg .5 .673 .25 .010 |
|
W 0 .1825 .25 .0063 |
|
O1 .220 .106 .939 .008 |
|
O2 .256 .378 .401 .006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Huanzalaite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 4.86 GPa |
|
_database_code_amcsd 0011049 |
|
4.636 5.6123 4.889 90 90.57 90 P2/c |
|
atom x y z Uiso |
|
Mg .5 .671 .25 .007 |
|
W 0 .1832 .25 .0055 |
|
O1 .223 .106 .935 .010 |
|
O2 .255 .380 .401 .005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Huanzalaite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 5.90 GPa |
|
_database_code_amcsd 0011050 |
|
4.624 5.594 4.880 90 90.56 90 P2/c |
|
atom x y z Uiso |
|
Mg .5 .672 .25 .008 |
|
W 0 .1834 .25 .0053 |
|
O1 .219 .107 .938 .010 |
|
O2 .255 .382 .402 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hubnerite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 0.0001 GPa, in air |
|
_database_code_amcsd 0011051 |
|
4.830 5.7603 4.994 90 91.14 90 P2/c |
|
atom x y z Uiso |
|
Mn .5 .6856 .25 .0108 |
|
W 0 .1800 .25 .0060 |
|
O1 .211 .102 .943 .010 |
|
O2 .250 .374 .393 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hubnerite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = .0001 GPa, in diamond anvil cell |
|
_database_code_amcsd 0011052 |
|
4.8277 5.761 4.997 90 91.14 90 P2/c |
|
atom x y z Uiso |
|
Mn .5 .6849 .25 .0105 |
|
W 0 .1800 .25 .0062 |
|
O1 .211 .102 .941 .009 |
|
O2 .250 .375 .392 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hubnerite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 2.81 GPa |
|
_database_code_amcsd 0011053 |
|
4.789 5.7106 4.9738 90 91.22 90 P2/c |
|
atom x y z Uiso |
|
Mn .5 .6849 .25 .0104 |
|
W 0 .1811 .25 .0062 |
|
O1 .213 .102 .943 .011 |
|
O2 .250 .376 .394 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hubnerite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 5.00 GPa |
|
_database_code_amcsd 0011054 |
|
4.7766 5.681 4.9605 90 91.19 90 P2/c |
|
atom x y z Uiso |
|
Mn .5 .687 .25 .0108 |
|
W 0 .1815 .25 .0062 |
|
O1 .210 .107 .941 .013 |
|
O2 .251 .381 .392 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hubnerite |
|
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 5.93 GPa |
|
_database_code_amcsd 0011055 |
|
4.762 5.660 4.9507 90 91.23 90 P2/c |
|
atom x y z Uiso |
|
Mn .5 .6853 .25 .0094 |
|
W 0 .1821 .25 .0051 |
|
O1 .213 .106 .942 .010 |
|
O2 .250 .381 .392 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CdWO4 |
| |
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 0.0001 GPa, in air |
|
_database_code_amcsd 0011056 |
|
5.028 5.862 5.067 90 91.50 90 P2/c |
|
atom x y z Uiso |
|
Cd .5 .6977 .25 .0125 |
|
W 0 .1785 .25 .0085 |
|
O1 .203 .098 .949 .012 |
|
O2 .242 .372 .383 .0115 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CdWO4 |
| |
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 0.0001 GPa, in diamond anvil cell |
|
_database_code_amcsd 0011057 |
|
5.031 5.8573 5.0709 90 91.50 90 P2/c |
|
atom x y z Uiso |
|
Cd .5 .6979 .25 .0105 |
|
W 0 .1784 .25 .0061 |
|
O1 .203 .096 .952 .011 |
|
O2 .241 .371 .382 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CdWO4 |
| |
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 2.81 GPa |
|
_database_code_amcsd 0011058 |
|
5.011 5.804 5.050 90 91.62 90 P2/c |
|
atom x y z Uiso |
|
Cd .5 .6987 .25 .0109 |
|
W 0 .1801 .25 .0072 |
|
O1 .201 .096 .951 .012 |
|
O2 .241 .374 .383 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CdWO4 |
| |
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 4.32 GPa |
|
_database_code_amcsd 0011059 |
|
4.975 5.765 5.037 90 91.84 90 P2/c |
|
atom x y z Uiso |
|
Cd .5 .6988 .25 .018 |
|
W 0 .1811 .25 .0122 |
|
O1 .192 .094 .958 .018 |
|
O2 .233 .376 .388 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CdWO4 |
| |
Macavei J, Schulz H |
| |
Zeitschrift fur Kristallographie 207 (1993) 193-208 |
|
The crystal structure of wolframite type tungstates at high pressure |
|
Locality: synthetic |
|
Note: P = 6.37 GPa |
|
_database_code_amcsd 0011060 |
|
4.966 5.720 5.025 90 92.04 90 P2/c |
|
atom x y z Uiso |
|
Cd .5 .7014 .25 .0136 |
|
W 0 .1827 .25 .0098 |
|
O1 .204 .093 .955 .014 |
|
O2 .239 .379 .384 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 0 kbar |
|
_database_code_amcsd 0012914 |
|
4.7657 4.7657 13.010 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 28 kbar |
|
_database_code_amcsd 0012915 |
|
4.7517 4.7517 12.965 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 42 kbar |
|
_database_code_amcsd 0012916 |
|
4.7418 4.7418 12.921 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 60 kbar |
|
_database_code_amcsd 0012917 |
|
4.7351 4.7351 12.901 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 74 kbar |
|
_database_code_amcsd 0012918 |
|
4.7242 4.7242 12.881 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 81 kbar |
|
_database_code_amcsd 0012919 |
|
4.7212 4.7212 12.872 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Corundum |
|
d'Amour H, Schiferl D, Denner W, Schulz H, Holzapfel W B |
| |
Journal of Applied Physics 49 (1978) 4411-4416 |
|
High-pressure single-crystal structure determinations for ruby up to 90 kbar |
|
using an automatic diffractometer |
|
P = 90 kbar |
|
_database_code_amcsd 0012920 |
|
4.7154 4.7154 12.851 90 90 120 R-3c |
|
atom x y z Biso |
|
Al 0 0 .3520 .14 |
|
O .306 0 .25 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015161 |
|
4.368 4.368 4.958 90 90 120 P3_121 |
|
atom x y z |
|
Se .2254 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 2.58 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015162 |
|
4.052 4.052 5.038 90 90 120 P3_121 |
|
atom x y z |
|
Se .2373 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 4.15 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015163 |
|
3.956 3.956 5.069 90 90 120 P3_121 |
|
atom x y z |
|
Se .2481 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 4.99 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015164 |
|
3.910 3.910 5.080 90 90 120 P3_121 |
|
atom x y z |
|
Se .2490 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 6.57 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015165 |
|
3.846 3.846 5.095 90 90 120 P3_121 |
|
atom x y z |
|
Se .2493 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 7.70 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015166 |
|
3.810 3.810 5.110 90 90 120 P3_121 |
|
atom x y z |
|
Se .2486 0 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
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B 16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 8.64 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015167 |
|
3.779 3.779 5.109 90 90 120 P3_121 |
|
atom x y z |
|
Se .2487 0 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
|
| |
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