American Mineralogist Crystal Structure Database

8 matching records for this search.

Cavansite
Download hom/cavansite.pdf
Evans H T
Download am/vol58/AM58_412.pdf
American Mineralogist 58 (1973) 412-424
The crystal structures of cavansite and pentagonite
_database_code_amcsd 0000316
9.792 13.644 9.629 90 90 90 Pcmn
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Ca   .0829    .25 .3810  .0037  .0025  .0035      0   .0005      0
V    .4033    .25 .5271  .0042  .0022  .0039      0  -.0002      0
Si1  .0954  .0336 .1839  .0024  .0022  .0023 -.0002  -.0010  .0002
Si2  .3165  .0431 .3925  .0024  .0018  .0026  .0003  -.0005 -.0003
O1   .0846  .1509 .1765  .0056  .0012  .0021  .0002   .0003 -.0009
O2   .2945  .1591 .4124  .0067  .0025  .0035 -.0002  -.0017 -.0009
O3   .4477  .0203 .2962  .0032  .0028  .0011 -.0008   .0006  .0000
O4   .1671 -.0118 .0423  .0041  .0017  .0018 -.0009   .0005 -.0009
O5   .1847 -.0062 .3176  .0053  .0033  .0020 -.0014   .0020  .0006
O6   .5515    .25 .4570  .0037  .0045  .0101      0   .0001      0
Wat7 .9471  .1186 .4700  .0118  .0045  .0113 -.0040   .0028  .0001
Wat8 .3709    .25 .1387  .0218  .0068  .0009      0   .0112      0
Wat9 .8092    .25 .2806  .0137  .0116  .0303      0   .0117      0
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View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Danisi R M, Armbruster T, Lazic B
 
American Mineralogist 97 (2012) 1874-1880
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
Note: room temperature
Locality: Wagholi quarry, Poona district, India
_database_code_amcsd 0019718
9.6329 13.6606 9.7949 90 90 90 Pnma
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
V     .02594    .25  .09618 .01042 .00849 .00946 .01330      0  .00076      0
Ca   -.38231    .75 -.08263 .01275 .01036 .01118  .0167      0  .00069      0
Si1  -.18305 .53318 -.09496 .00808 .00635 .00920 .00869 .00008 -.00063 .00054
Si2  -.10728 .45691  .18382 .00766 .00691 .00834 .00772 .00042  .00091 .00053
O1   -.17796 .65027 -.08597  .0128  .0093  .0098  .0193 -.0007   .0002 -.0007
O2   -.08731 .34231  .20600  .0137  .0154  .0091  .0168  .0021   .0052  .0015
O3   -.20339 .47968  .05164  .0144  .0122  .0212  .0099 -.0003  -.0014  .0039
O4   -.04191 .48914 -.16578  .0122  .0082  .0113  .0172 -.0001   .0026 -.0015
O5   -.31477 .49541 -.18514  .0112  .0103  .0122  .0111 -.0013  -.0039  .0019
O6    -.0430    .25 -.05191  .0237  .0231  .0287  .0192      0  -.0052      0
O7   -.46993 .88139  .05339  .0442  .0340  .0489  .0498  .0048   .0089 -.0273
H7A    -.421   .869    .136   .080
H7B   -.5615   .891    .081   .080
O8    -.6383    .75  -.1258  .0374  .0146  .0319  .0658      0  -.0048      0
H8     -.685  .6944   -.093   .080
O9    -.2832    .75   .1898  .0775   .066   .109   .058      0   .0091      0
H9A    -.330    .75    .276   .080
H9B    -.192    .75    .230   .080
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Cavansite
Download hom/cavansite.pdf
Danisi R M, Armbruster T, Lazic B
 
American Mineralogist 97 (2012) 1874-1880
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
Note: T = 75 C
Locality: Wagholi quarry, Poona district, India
_database_code_amcsd 0019719
9.60900 13.6833 9.7559 90 90 90 Pnma
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
V     .02600    .25  .09027      .01219  .0098  .0118  .0150       0  .00105      0
Ca   -.38248    .75 -.08753      .01422  .0119  .0135  .0173       0  .00026      0
Si1  -.18529 .53429 -.09246      .00969  .0071  .0116  .0104 -.00016 -.00049 .00078
Si2  -.10434 .45653  .18578      .00934  .0082  .0101  .0097  .00053  .00136 .00080
O1   -.17964 .65118 -.08307       .0150  .0107  .0122  .0220  -.0002   .0014 -.0010
O2   -.08347 .34199  .20472       .0169  .0189  .0110  .0207   .0029   .0079  .0016
O3   -.20289 .48168  .05573       .0174  .0132  .0262  .0127  -.0008  -.0020  .0049
O4   -.04573 .49007 -.16576       .0146  .0098  .0142  .0199  -.0005   .0039 -.0018
O5   -.31993 .49792 -.17994       .0138  .0121  .0154  .0138  -.0021  -.0049  .0030
O6    -.0455    .25  -.0566       .0294  .0289  .0370  .0222       0  -.0080      0
O7    -.4471  .8517   .1035 .270  .0448
O7A   -.3993  .8184   .1464 .245  .0448
O7B   -.4643  .8806   .0570 .557  .0448
O8    -.6396    .75  -.0987       .0756  .0215   .099   .106       0  -.0007      0
O9     -.295    .75    .188 .105  .0448
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View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Danisi R M, Armbruster T, Lazic B
 
American Mineralogist 97 (2012) 1874-1880
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
Note: T = 175 C
Locality: Wagholi quarry, Poona district, India
_database_code_amcsd 0019720
9.4746 13.2620 9.6050 90 90 90 Pnma
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
V     .03479    .25  .09988      .01642  .0140  .0168  .0185      0  .00103      0
Ca   -.38889    .75 -.07578      .01849  .0163  .0197  .0194      0  -.0001      0
Si1  -.19261 .52653 -.08317      .01415  .0108  .0170  .0146 .00016 -.00055 .00178
Si2  -.09206 .46155  .19910      .01366  .0124  .0155  .0131 .00114  .00162 .00137
O1   -.18823 .64770 -.07596       .0199  .0153  .0172  .0272 -.0002   .0017 -.0011
O2   -.05978 .34527  .22691       .0218  .0248  .0168  .0237  .0043   .0087  .0027
O3   -.20100 .47554  .07010       .0226  .0180  .0328  .0169 -.0008  -.0025  .0063
O4   -.05458 .48034 -.16282       .0196  .0144  .0194  .0250 -.0003   .0050  .0001
O5   -.33434 .48941 -.16389       .0189  .0158  .0220  .0190 -.0018  -.0051  .0037
O6    -.0552    .25  -.0398       .0337  .0326  .0404  .0282      0  -.0086      0
O7     -.430  .7778   .1679 .162   .044
O7A   -.3625  .7750   .1759 .203   .044
O7B    -.397   .810    .161 .142   .044
O8    -.6409    .75  -.0485        .121   .035   .172   .157      0    .029      0
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Danisi R M, Armbruster T, Lazic B
 
American Mineralogist 97 (2012) 1874-1880
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
Note: T = 350 C
Locality: Wagholi quarry, Poona district, India
_database_code_amcsd 0019721
9.39 13.11 9.39 90 90 90 Pnma
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
V     .0374    .25  .0993     .0323  .0308  .0317  .0343      0  .0063      0
Ca   -.3884    .75 -.0715     .0373  .0358  .0357  .0405      0 -.0030      0
Si1  -.1968 .52399 -.0781     .0256  .0211  .0300  .0255  .0000 -.0021  .0024
Si2  -.0833 .46265  .2073     .0243  .0241  .0293  .0195  .0008  .0041  .0015
O1   -.1921  .6461 -.0706     .0373   .030   .033   .049   .000   .002   .001
O2   -.0485  .3461  .2374     .0378   .048   .032   .033   .006   .016   .004
O3   -.1946  .4739  .0777     .0366   .034   .054   .022  -.002  -.003   .007
O4   -.0631  .4784 -.1666     .0309   .023   .035   .035   .000   .003   .003
O5   -.3434  .4873 -.1524     .0310   .031   .038   .024  -.001  -.004   .008
O6   -.0568    .25 -.0373      .061   .067   .068   .048      0  -.010      0
O7    -.517   .780   .134 .25  .129
O7B   -.415   .782   .181 .22  .129
O8    -.590    .75   .018 .24  .129
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G
 
The Canadian Mineralogist 49 (2011) 1267-1272
The crystal structure of cavansite: location of the H2O molecules and
hydrogen atoms in Ca(VO)(Si4O10)*4H2O
Note: T = 100 K
Locality: Pune, India
_database_code_amcsd 0018620
9.7518 13.6854 9.5965 90 90 90 Pcmn
atom       x       y       z   Uiso
V    .403461     .25 .527127 .00441
Ca   .081188     .25 .384158 .00538
Si1  .092905 .033726 .184986 .00382
Si2  .314548 .043079 .394816 .00367
O1    .08484 .150457  .17923 .00609
O2    .29352 .157711  .41364 .00677
O3    .44562 .019683  .29592 .00688
O4    .16568 .989344  .04467 .00605
O5    .18145 .995496  .31844 .00555
O6    .55289     .25  .45740 .01021
OW7   .94626  .11855  .47063 .01585
H7a   -.1211   .1117   .4266   .034
H7b   -.0728   .0887   .5460   .031
OW8   .13254     .25  .63927 .01471
H8a    .1283   .2993   .6935   .047
OW9   .81138     .25  .28676 .02668
H9a   -.2705     .25   .3162   .033
H9b    -.202     .25    .197   .057
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G
 
The Canadian Mineralogist 49 (2011) 1267-1272
The crystal structure of cavansite: location of the H2O molecules and
hydrogen atoms in Ca(VO)(Si4O10)*4H2O
Note: T = 296 K
Locality: Pune, India
_database_code_amcsd 0018621
9.7614 13.6666 9.6049 90 90 90 Pcmn
atom      x      y      z   Uiso
V    .40796    .25 .52610 .00958
Ca   .08632    .25 .38270 .01177
Si1  .09326 .03399 .18476 .00784
Si2  .31501 .04327 .39474 .00758
O1   .08426 .15083 .17913 .01217
O2   .29503 .15790 .41533 .01367
O3   .44570 .01877 .29636 .01436
O4   .16543 .98960 .04456 .01233
O5   .18173 .99676 .31835 .01163
O6   .55529    .25 .45570  .0235
OW7   .9388 .12314  .4635  .0654
H7a  -.1294  .1168  .4201   .078
H7b  -.0801  .0936  .5387   .078
OW8   .1128    .25  .6393  .0541
H8a   .1083  .2993  .6932   .065
OW9   .8098    .25   .295   .396
H9a  -.2717    .25  .3235   .475
H9b  -.2046    .25  .2052   .475
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cavansite
Download hom/cavansite.pdf
Ishida N, Kimata M, Nishida N, Hatta T, Shimizu M, Akasaka T
 
Journal of Mineralogical and Petrological Sciences 104 (2009) 241-252
Polymorphic relation between cavanite and pentagonite:
genetic implications of oxonium ion in cavansite
Locality: Deccan basalts, Wagholi, India
_database_code_amcsd 0019264
9.794 13.670 9.643 90 90 90 Pcmn
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .0821    .25 .3821 .0121  .0148  .0112  .0103      0  .0007      0
V    .4035    .25 .5259 .0100  .0120  .0094  .0085      0 -.0009      0
Sil  .0952  .0332 .1828 .0081  .0078  .0096  .0069 -.0004 -.0005 -.0002
Si2  .3162  .0431 .3926 .0076  .0067  .0083  .0077  .0003 -.0010 -.0003
O1   .0863  .1503 .1774 .0127  .0193  .0096  .0093  .0008  .0003  .0003
O2   .2937  .1577 .4123 .0127  .0157  .0074  .0150  .0012 -.0052 -.0011
O3   .4486  .0201 .2968 .0139  .0086  .0211  .0118  .0039  .0024  .0004
O4   .1661 -.0109 .0421 .0118  .0164  .0103  .0088  .0011  .0029  .0003
O5   .1855 -.0045 .3141 .0111  .0118  .0113  .0103 -.0021 -.0030  .0019
O6   .5522    .25 .4573 .0221   .018   .025   .023      0   .005      0
OH7  .9460  .1183 .4708 .0418   .048   .044   .033  -.026   .008   .004
Wat8 .3743    .25 .1387 .0344   .058   .031   .014      0   .004      0
O9   .8100    .25 .2836 .0723   .057   .099   .061      0   .009      0
H91  .8100    .25 .2836 .0723   .057   .099   .061      0   .009      0
H92  .8100    .25 .2836 .0723   .057   .099   .061      0   .009      0
H93  .8100    .25 .2836 .0723   .057   .099   .061      0   .009      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 8
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