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Cristobalite |
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Downs R T, Palmer D C |
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American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = room pressure |
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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) |
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Si .30028 .30028 0 .0077 .0077 .00401 -.0003 .0008 -.0008 |
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O .2392 .1044 .1787 .0244 .0086 .0062 -.0013 .0027 .0005 |
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Cristobalite |
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Downs R T, Palmer D C |
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American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = 0.19 GPa |
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4.9501 4.9501 6.8760 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3027 .3027 0 .80 |
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O .2388 .1086 .1817 1.22 |
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Cristobalite |
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Downs R T, Palmer D C |
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American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = 0.73 GPa |
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4.9028 4.9028 6.7782 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3086 .3086 0 .63 |
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O .2364 .1198 .1870 1.07 |
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Cristobalite |
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Downs R T, Palmer D C |
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American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = 1.05 GPa |
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4.8757 4.8757 6.7163 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3125 .3125 0 .51 |
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O .2356 .1269 .1904 1.12 |
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Cristobalite |
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Dollase W A |
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Zeitschrift fur Kristallographie 121 (1965) 369-377 |
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Reinvestigation of the structure of low cristobalite |
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Locality: Ellora, Hyderabad, India |
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4.978 4.978 6.948 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .30004 .30004 0 .83 |
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O .23976 .10324 .17844 1.55 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 28 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.979 4.979 6.950 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) |
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Si .3001705 .3001705 0 .0072851 .0072851 .0042809 .0002128 .00042 -.00042 |
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O .2394414 .104921 .178516 .0238455 .0068376 .0064327 -.0011804 .0026112 .0006267 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 65 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.982 4.982 6.963 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) |
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Si .2989738 .2989738 0 .0083606 .0083606 .0043347 .0002178 .0007864 -.0007864 |
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O .2398881 .1034721 .1781282 .029402 .0080395 .007507 -.0005712 .0036517 .0022305 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 103 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.986 4.986 6.977 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) |
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Si .2988222 .2988222 0 .0090977 .0090977 .005084 .0001332 .0007865 -.0007865 |
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O .2407835 .101708 .176626 .0321369 .0113286 .0081336 -.0002324 .0034432 .0022964 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 142 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.989 4.989 6.991 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) |
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Si .297673 .297673 0 .0102561 .0102561 .0054842 -.0002928 .0008236 -.0008236 |
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O .2410227 .0999381 .1760246 .0341635 .0116554 .0089425 -.0017053 .0047251 .0025348 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 179 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.993 4.993 7.005 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) |
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Si .2966494 .2966494 0 .0117442 .0117442 .0060576 .0002363 .0012906 -.0012906 |
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O .2406035 .0965985 .1746805 .0402564 .0141191 .0109623 -.0011189 .0056556 .0022687 |
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View JMOL 3-D Structure
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 210 C |
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Locality: Ellora Caves, Hyderabad State, India |
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4.996 4.996 7.016 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) |
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Si .2952486 .2952486 0 .0121174 .0121174 .0065208 .0000759 .0010809 -.0010809 |
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O .240604 .0951468 .174822 .0425299 .0123629 .0119865 .0001831 .0044144 .0024522 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 221 C |
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Locality: Ellora Caves, Hyderabad State, India |
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7.166 7.166 7.166 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 .0162381 .0162381 .0162381 0 0 0 |
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O 0 .0443541 -.0443541 1/6 .0146814 .0181157 .0181157 .001317 .001317 -.0010763 |
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|
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 221 C |
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Locality: Ellora Caves, Hyderabad State, India |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.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) |
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Si .125 .125 .125 .0162381 .0162381 .0162381 0 0 0 |
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O 0 0 0 .06814 .0181157 .0181157 .001317 .001317 -.0010763 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 248 C |
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Locality: Ellora Caves, Hyderabad State, India |
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7.166 7.166 7.166 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 .0159539 .0159539 .0159539 0 0 0 |
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O 0 .0434926 -.0434926 1/6 .0166087 .0179334 .0179334 -.0005023 -.0005023 .0013341 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 273 C |
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Locality: Ellora Caves, Hyderabad State, India |
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7.166 7.166 7.166 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 .0164593 .0164593 .0164593 0 0 0 |
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O 0 .0439802 -.0439802 1/6 .0168975 .0195017 .0195017 .00015 .00015 -.001573 |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 310 C |
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Locality: Ellora Caves, Hyderabad State, India |
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7.166 7.166 7.166 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 .0162266 .0162266 .0162266 0 0 0 |
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O 0 .0426811 -.0426811 1/6 .0191835 .0190393 .0190393 -.0002151 -.0002151 .0001448 |
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Cristobalite |
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Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
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Mineralogical Magazine 64 (2000) 569-576 |
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Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
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Locality: synthetic |
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Note: refinement by unconstrained Rietveld analysis |
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8.3780 4.6018 9.0568 90 124.949 90 P2_1/c |
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atom x y z Uiso |
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Si1 .3726 .7339 .2187 -.0018 |
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Si2 .1340 .9779 .8529 -.0018 |
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O1 .1848 .8745 .0365 .0028 |
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O2 .3056 .5954 .3331 .0028 |
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O3 .5363 .9738 .3315 .0028 |
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O4 .9304 .8052 .6908 .0028 |
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Cristobalite |
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Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
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Mineralogical Magazine 64 (2000) 569-576 |
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Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
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Locality: synthetic |
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Note: refinement by constrained Rietveld analysis |
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8.3769 4.6020 9.0583 90 124.939 90 P2_1/c |
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atom x y z Uiso |
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Si1 .3725 .7310 .2145 -.0003 |
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Si2 .1207 .9699 .8403 -.0003 |
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O1 .1859 .8645 .0351 .0044 |
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O2 .2997 .5912 .3276 .0044 |
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O3 .5296 .9791 .3297 .0044 |
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O4 .927 .8089 .6839 .0044 |
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 10 K |
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Locality: synthetic |
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4.9570 4.9570 6.8903 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) |
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Si .3047 .3047 0 .0015 .0015 .0012 .0004 .0005 -.0005 |
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O .2381 .1109 .1826 .0073 .0004 .0022 -.0006 .0006 .0013 |
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 296 K |
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Locality: synthetic |
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4.9709 4.9709 6.9278 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) |
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Si .3005 .3005 0 .0104 .0104 .0056 .0019 .0002 -.0002 |
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O .2392 .1037 .1786 .0319 .0069 .0090 -.0030 .0017 .0037 |
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|
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 473 K |
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Locality: synthetic |
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4.9877 4.9877 6.9697 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) |
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Si .2949 .2949 0 .0139 .0139 .0077 .0000 -.0006 .0006 |
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O .2416 .0968 .1747 .0466 .0106 .0128 -.0022 .0089 .0052 |
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| Download AMC data (View Text File)
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