American Mineralogist Crystal Structure Database

12 matching records for this search.

Malayaite
Download hom/malayaite.pdf
Higgins J B, Ribbe P H
Download am/vol62/AM62_801.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Groat L A, Kek S, Bismayer U, Schmidt C, Krane H G, Meyer H, Nistor L,
Van Tendeloo G
Download am/vol81/AM81_595.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Rath S, Kunz M, Miletich R
Download am/vol88/AM88_293.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Rath S, Kunz M, Miletich R
Download am/vol88/AM88_293.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Rath S, Kunz M, Miletich R
Download am/vol88/AM88_293.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Rath S, Kunz M, Miletich R
Download am/vol88/AM88_293.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
Rath S, Kunz M, Miletich R
Download am/vol88/AM88_293.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Malayaite
Download hom/malayaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 12
View in amc, download in amc

Return to AMCSD Home Page