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12 matching records for this search.

Malayaite

Higgins J B, Ribbe P H

American Mineralogist 62 (1977) 801-806

The structure of malayaite, CaSnOSiO4, a tin analog of titanite

Locality: Red-a-Ven mine, Meldon, Devonshire, England

_database_code_amcsd 0000586

7.149 8.906 6.667 90 113.3 90 *A2/a

0 -.25 -.25

atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)

Ca .25 .9117 .75 .0136 .0008 .0044 0 -.0015 0

Sn .5 .75 .25 .95 .0021 .0014 .0037 -.0002 .0008 -.0001

Ti .5 .75 .25 .05 .0021 .0014 .0037 -.0002 .0008 -.0001

Si .75 .9335 .75 .0032 .0002 .0029 0 .0010 0

O1 .75 .8367 .25 .0028 .0009 .0075 0 .0025 0

O2 .9125 .8171 .9255 .0034 .0024 .0038 .0007 .0007 .0004

O3 .3724 .9614 .1414 .0039 .0018 .0046 .0010 .0026 -.0002

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Malayaite

Groat L A, Kek S, Bismayer U, Schmidt C, Krane H G, Meyer H, Nistor L,

Van Tendeloo G

American Mineralogist 81 (1996) 595-602

A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman

spectroscopic study of malayaite, CaSnSiO5

_database_code_amcsd 0001792

7.1535 8.8933 6.6674 90 113.342 90 A2/a

atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Si .75 .68196 .5 .00409 .00420 .00476 0 .00151 0

Sn .5 .5 0 .00362 .00417 .00494 -.00018 .00143 .00004

Ca .25000 .66262 .5 .03240 .00486 .00753 0 -.00129 0

O1 .75 .58681 0 .00540 .00570 .01340 0 .00470 0

O2 .91140 .56776 .67552 .00956 .00797 .00561 .00298 .00154 .00154

O3 .37224 .71195 .89032 .00910 .00600 .00758 .00252 .00414 .00072

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Malayaite

Rath S, Kunz M, Miletich R

American Mineralogist 88 (2003) 293-300

Pressure-induced phase transition in malayaite, CaSnOSiO4

Sample: at P = 0.0 GPa

_database_code_amcsd 0002981

7.1523 8.8902 6.6677 90 113.362 90 A2/a

atom x y z Uiso

Ca .25 .6628 .5 .025

Sn .5 .5 0 .009

Si .75 .6815 .5 .0107

O1 .75 .587 0 .010

O2 .9147 .5679 .676 .010

O3 .370 .7116 .888 .010

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Malayaite

Rath S, Kunz M, Miletich R

American Mineralogist 88 (2003) 293-300

Pressure-induced phase transition in malayaite, CaSnOSiO4

Sample: at P = 4.238 GPa

_database_code_amcsd 0002982

7.0560 8.8436 6.5629 90 112.948 90 A2/a

atom x y z Uiso

Ca .25 .6607 .5 .0260

Sn .5 .5 0 .0097

Si .75 .6834 .5 .0105

O1 .75 .591 0 .010

O2 .9177 .568 .672 .010

O3 .370 .711 .887 .010

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Malayaite

Rath S, Kunz M, Miletich R

American Mineralogist 88 (2003) 293-300

Pressure-induced phase transition in malayaite, CaSnOSiO4

Sample: at P = 4.505 GPa

_database_code_amcsd 0002983

7.0498 8.8402 6.5573 90 112.925 90 A2/a

atom x y z Uiso

Ca .25 .6608 .5 .0276

Sn .5 .5 0 .0101

Si .75 .6823 .5 .0101

O1 .75 .588 0 .010

O2 .9179 .569 .6722 .010

O3 .3700 .712 .8864 .010

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Malayaite

Rath S, Kunz M, Miletich R

American Mineralogist 88 (2003) 293-300

Pressure-induced phase transition in malayaite, CaSnOSiO4

Sample: at P = 5.769 GPa

_database_code_amcsd 0002984

7.0252 8.8281 6.5318 89.861 112.840 90.171 A-1

atom x y z Uiso

Ca .2462 .662 .502 .0283

Sn .5 .5 0 .0114

Sn2 0 .5 0 .0116

Si .7494 .682 .499 .0121

O1 .753 .589 .002 .010

O2 .919 .568 .671 .010

O22 -.419 .567 -.673 .010

O3 .370 .712 .886 .010

O32 .131 .713 -.883 .010

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Malayaite

Rath S, Kunz M, Miletich R

American Mineralogist 88 (2003) 293-300

Pressure-induced phase transition in malayaite, CaSnOSiO4

Sample: at P = 7.33 GPa

_database_code_amcsd 0002985

6.9948 8.8103 6.4976 89.175 112.738 91.104 A-1

atom x y z Uiso

Ca .2311 .659 .5047 .0287

Sn .5 .5 0 .0136

Sn2 0 .5 0 .0135

Si .7440 .683 .4972 .0149

O1 .7561 .587 .004 .010

O2 .9229 .575 .670 .010

O22 -.4173 .565 -.670 .010

O3 .3730 .714 .886 .010

O32 .1341 .710 -.879 .010

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Malayaite

Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G

Physics and Chemistry of Minerals 26 (1999) 546-553

An infrared spectroscopic and single-crystal X-ray study

of malayaite, CaSnSiO5

Sample: T = 300 K

_database_code_amcsd 0008233

7.156 8.875 6.660 90 113.38 90 A2/a

atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ca .25 .66268 .5 .0184 .03403 .00510 .00686 0 -.00125 0

Sn .5 .5 0 .0042 .00365 .00495 .00348 .00000 .00126 .00000

Si 3/4 .6819 .5 .0050 .00534 .00498 .00394 0 .00156 0

O1 3/4 .5869 0 .0078 .00424 .00614 .01369 0 .00539 0

O2 .9132 .5678 .6751 .0078 .00825 .00862 .00500 .00237 .00148 .00147

O3 .3718 .71225 .8810 .0068 .00855 .00650 .00740 .00260 .00454 .00063

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Malayaite

Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G

Physics and Chemistry of Minerals 26 (1999) 546-553

An infrared spectroscopic and single-crystal X-ray study

of malayaite, CaSnSiO5

Sample: T = 450 K

_database_code_amcsd 0008234

7.160 8.897 6.672 90 113.34 90 A2/a

atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ca .25 .66280 .5 .0255 .04588 .00760 .01068 0 -.00181 0

Sn .5 .5 0 .0062 .00532 .00726 .00596 -.00028 .00202 .00005

Si 3/4 .6816 .5 .0070 .00674 .00801 .00585 0 .00194 0

O1 3/4 .5866 0 .0113 .00684 .00910 .02010 0 .00749 0

O2 .9127 .56823 .6754 .0118 .01394 .01193 .00786 .00376 .00263 .00227

O3 .3719 .71209 .8903 .0104 .01325 .00906 .01043 .00342 .00636 .00118

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Malayaite

Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G

Physics and Chemistry of Minerals 26 (1999) 546-553

An infrared spectroscopic and single-crystal X-ray study

of malayaite, CaSnSiO5

Sample: T = 550 K

Note: U33 for O1 has been altered by personal communication with authors, Dec 2003

_database_code_amcsd 0008235

7.166 8.903 6.678 90 113.39 90 A2/a

atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ca .25 .66304 .5 .0303 .05306 .00964 .01404 0 -.00152 0

Sn .5 .5 0 .0081 .00679 .00896 .00781 -.00039 .00271 .00000

Si 3/4 .68153 .5 .0085 .00834 .00920 .00731 0 .00268 0

O1 3/4 .5861 0 .0143 .00912 .01030 .02477 0 .00877 0

O2 .9122 .5682 .6752 .0150 .01686 .01533 .00975 .00502 .00278 .00244

O3 .3716 .71211 .8906 .0134 .01688 .01137 .01309 .00457 .00771 .00123

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Malayaite

Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G

Physics and Chemistry of Minerals 26 (1999) 546-553

An infrared spectroscopic and single-crystal X-ray study

of malayaite, CaSnSiO5

Sample: T = 670 K

_database_code_amcsd 0008236

7.173 8.901 6.683 90 113.36 90 A2/a

atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ca .25 .66316 .5 .0327 .05703 .01036 .01530 0 -.00186 0

Sn .5 .5 0 .0087 .00745 .00925 .00906 -.00040 .00304 .00067

Si 3/4 .68171 .5 .0091 .00942 .00904 .00812 0 .00281 0

O1 3/4 .5861 0 .0157 .00978 .01170 .02760 0 .00951 0

O2 .9124 .5682 .6752 .0157 .01776 .01571 .01132 .00528 .00324 .00209

O3 .3712 .71202 .8913 .0146 .01922 .01193 .01466 .00522 .00888 .00155

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Malayaite

Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G

Physics and Chemistry of Minerals 26 (1999) 546-553

An infrared spectroscopic and single-crystal X-ray study

of malayaite, CaSnSiO5

Sample: T = 730 K

Note: x-coordinate of O1 altered from the value reported

_database_code_amcsd 0008237

7.167 8.912 6.688 90 113.36 90 A2/a

atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Ca .25 .6631 .5 .0347 .06006 .01158 .01647 0 -.00181 0

Sn .5 .5 0 .0095 .00833 .01017 .00995 -.00048 .00355 .00011

Si 3/4 .6816 .5 .0099 .01066 .00986 .00875 0 .00331 0

O1 3/4 .5864 0 .0169 .01140 .01267 .02968 0 .01129 0

O2 .9121 .5683 .6752 .0177 .02003 .01796 .01284 .00596 .00422 .00254

O3 .3722 .7122 .8915 .0158 .01954 .01373 .01686 .00544 .01018 .00187

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Total number of retrieved datasets: 12
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