American Mineralogist Crystal Structure Database

4 matching records for this search.

Cafarsite
Download hom/cafarsite.pdf
Gatta G D, Rotiroti N, Camara F, Meven M
 
Physics and Chemistry of Minerals 45 (2018) 819-829
On the labyrinthine world of arsenites: a single-crystal neutron and
X-ray diffraction study of cafarsite
Note: xray final
Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola
province, Italy
_database_code_amcsd 0020738
15.9507 15.9507 15.9507 90 90 90 *Pn3
.25 .25 .25
atom       x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
As1  .376381 .376381 .376381       .00541 .00541 .00541 .00541  .00145  .00145 .00145
As2  .229208 .977835 .038446       .00445 .00514 .00409 .00412 -.00095 -.00038 .00027
As3  .392756 .640833 .351641       .00808 .01166 .00575 .00682 -.00045  .00410 .00077
Ca1a   .1527   .1527   .1527  .143  .0020
Ca1b  .16339  .16339  .16339  .857  .0020
Ca2   .09341  .62515  .35629 1.012 .00640  .0060  .0069  .0063 -.00210 -.00076 .00032
Ti1a  .95176     .75     .25  .642 .00370  .0029  .0047  .0035       0       0 .00121
Ti1b  .95176     .75     .25  .358 .00370  .0029  .0047  .0035       0       0 .00121
Fe1      .25     .75     .75  .868  .0330  .0868  .0030  .0092       0       0      0
Fe2  -.00609     .25     .25  .822 .00229  .0012  .0027  .0030       0       0 -.0015
Mn1a       0       0       0  .413 .00516  .0052  .0052  .0052  .00143  .00143 .00143
Mn1b       0       0       0  .587 .00516  .0052  .0052  .0052  .00143  .00143 .00143
O1   -.00547  .98129  .13702        .0075  .0091  .0055  .0080   .0033   .0000 -.0024
O2    .30976  .00360  .35984        .0080  .0113  .0096  .0032  -.0017  -.0013  .0018
O3    .28784  .63300  .04765        .0082  .0106  .0032  .0109   .0011  -.0019 -.0009
O4    .16380  .73782  .14561        .0094  .0085  .0075  .0123   .0000   .0046  .0015
O5    .17405  .59476  .22248 1.067  .0432  .0361  .0543  .0393   .0353   .0211  .0343
O6    .03245  .66390  .22564        .0084  .0074  .0095  .0083   .0027   .0029  .0009
O7    .17329  .41767  .21345 1.027  .0208  .0254  .0279  .0091  -.0177   .0011 -.0077
F        .75     .75     .75  .941  .0096  .0096  .0096  .0096       0       0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cafarsite
Download hom/cafarsite.pdf
Gatta G D, Rotiroti N, Camara F, Meven M
 
Physics and Chemistry of Minerals 45 (2018) 819-829
On the labyrinthine world of arsenites: a single-crystal neutron and
X-ray diffraction study of cafarsite
Note: neutron diffraction
Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola
province, Italy
_database_code_amcsd 0020739
15.9507 15.9507 15.9507 90 90 90 *Pn3
.25 .25 .25
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1   .37653 .37653 .37653      .00787  .0079  .0079  .0079  .0015  .0015  .0015
As2   .22919 .97788 .03858       .0073  .0081  .0071  .0068 -.0008 -.0002  .0003
As3   .39291 .64070 .35185       .0110  .0150  .0088  .0092  .0001  .0041  .0010
Ca1   .16224 .16224 .16224       .0118  .0118  .0118  .0118  .0022  .0022  .0022
Ca2   .09364 .62529 .35598       .0092  .0084  .0103  .0090 -.0021 -.0003  .0000
Ti1a  .95129    .75    .25 .385  .0073  .0044  .0126  .0049      0      0  .0026
Ti1b  .95129    .75    .25 .500  .0073  .0044  .0126  .0049      0      0  .0026
Fe1      .25    .75    .75 .594  .0236   .055  .0066  .0096      0      0      0
Fe2a  .00607    .25    .25 .462  .0065
Fe2b  .00607    .25    .25 .454  .0065
Mn1a       0      0      0 .240  .0099  .0099  .0099  .0099  .0012  .0012  .0012
Mn1b       0      0      0 .730  .0099  .0099  .0099  .0099  .0012  .0012  .0012
O1   -.00570 .98121 .13718       .0107  .0112  .0086  .0124  .0024 -.0005 -.0023
O2    .30994 .00363 .35999       .0108  .0137  .0115  .0072 -.0004 -.0015  .0014
O3    .28798 .63273 .04786       .0120  .0146  .0068  .0147  .0017 -.0013  .0003
O4    .16361 .73782 .14472       .0131  .0130  .0101  .0160  .0003  .0067  .0020
O5    .17414 .59523 .22296       .0385  .0338  .0488  .0328  .0318  .0177  .0298
O6    .03262 .66448 .22564       .0122  .0103  .0130  .0133  .0030  .0033  .0019
O7    .17329 .41758 .21302       .0200  .0233  .0257  .0110 -.0153  .0014 -.0062
F        .75    .75    .75       .0135  .0135  .0135  .0135      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cafarsite
Download hom/cafarsite.pdf
Gatta G D, Rotiroti N, Camara F, Meven M
 
Physics and Chemistry of Minerals 45 (2018) 819-829
On the labyrinthine world of arsenites: a single-crystal neutron and
X-ray diffraction study of cafarsite
Note: xraysplit final
Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola
province, Italy
_database_code_amcsd 0020740
15.9507 15.9507 15.9507 90 90 90 *Pn3
.25 .25 .25
atom       x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
As1  .376389 .376389 .376389       .00540 .00540 .00540 .00540  .00145  .00145 .00145
As2  .229204 .977837 .038447       .00447 .00513 .00410 .00417 -.00093 -.00037 .00026
As3  .392764 .640829 .351642       .00808 .01164 .00578 .00683 -.00045  .00410 .00076
Ca1a   .1527   .1527   .1527  .145  .0020
Ca1b  .16341  .16341  .16341  .855  .0020
Ca2   .09341  .62516  .35630 1.012 .00639  .0060  .0070  .0063 -.00211 -.00076 .00035
Ti1a  .95176     .75     .25  .654 .00361  .0028  .0047  .0034       0       0 .00123
Ti1b  .95176     .75     .25  .346 .00361  .0028  .0047  .0034       0       0 .00123
Fe1    .2398     .75     .75  .429   .023   .057  .0027  .0090       0       0 -.0019
Fe2  -.00609     .25     .25  .822 .00224  .0011  .0027  .0030       0       0 -.0015
Mn1a       0       0       0  .455 .00526  .0053  .0053  .0053  .00148  .00148 .00148
Mn1b       0       0       0  .545 .00526  .0053  .0053  .0053  .00148  .00148 .00148
O1   -.00554  .98128  .13705        .0077  .0091  .0054  .0085   .0034   .0002 -.0023
O2    .30975  .00359  .35981        .0081  .0117  .0095  .0032  -.0017  -.0015  .0017
O3    .28788  .63307  .04773        .0083  .0110  .0032  .0108   .0013  -.0016 -.0009
O4    .16372  .73780  .14561        .0094  .0088  .0077  .0118  -.0001   .0041  .0014
O5     .1644   .5814   .2126  .418  .0111
O5'    .1801   .6031   .2288  .582  .0111
O6    .03252  .66386  .22564        .0086  .0075  .0097  .0086   .0027   .0028  .0007
O7     .1666   .4253   .2117   .52  .0076
O7'    .1805   .4094   .2153   .48  .0076
F        .75     .75     .75  .969  .0115  .0115  .0115  .0115       0       0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cafarsite
Download hom/cafarsite.pdf
Edenharter A, Nowacki W, Weibel M
 
Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1-16
Zur Struktur und Zusammensetzung von Cafarsit, Cafarsit ein As(III)-oxid, kein Arsenat
Locality: synthetic
Note: Water positions were not determined
_database_code_amcsd 0015405
15.984 15.984 15.984 90 90 90 *Pn3
.25 .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)
As1   .3735  .3735 .3735 .85  .0021  .0021  .0021  .0001  .0001  .0001
As2   .2300  .9763 .0376 .90  .0022  .0019  .0020      0      0  .0001
As3   .3918  .6399 .3508 .68  .0015  .0010  .0012      0  .0003  .0001
Ca1   .1561  .1561 .1561 .98  .0039  .0039  .0039  .0017  .0017  .0017
Ca2   .0934  .6258 .3556 .66  .0005  .0008  .0006 -.0001      0  .0002
Ti    .9511    .75   .25      .0015  .0019  .0019      0      0  .0003
Fe1     .25    .75   .75 .74  .0122  .0010  .0017      0      0      0
Fe2  -.0031    .25   .25 .62  .0015  .0018  .0016      0      0      0
Mn1       0      0     0 .80  .0019  .0019  .0019  .0001  .0001  .0001
Mn2  -.0031    .25   .25 .30  .0015  .0018  .0016      0      0      0
O1   -.0027  .9834 .1381 .97  .0025  .0019  .0025  .0016      0 -.0002
O2    .3059  .0032 .3631 .94  .0027  .0024  .0016 -.0001 -.0008  .0003
O3    .2915  .6332 .0465      .0029  .0017  .0024 -.0002  .0005  .0003
O4    .1657  .7367 .1467 .87  .0018  .0018  .0013  .0004      0 -.0002
O5    .1730  .5911 .2228      .0071  .0071  .0051  .0057  .0029  .0031
O6    .0329  .6621 .2239      .0023  .0027  .0025 -.0005  .0008 -.0007
O7    .1746  .4148 .2178      .0062  .0059  .0020 -.0029 -.0003 -.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)
 
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: 4
View in amc, download in amc

Return to AMCSD Home Page