American Mineralogist Crystal Structure Database

5 matching records for this search.

Monteregianite-(Y)
Download hom/monteregianitey.pdf
Ghose S, Sen Gupta P K, Campana C F
Download am/vol72/AM72_365.pdf
American Mineralogist 72 (1987) 365-374
Symmetry and crystal structure of monteregianite, Na4K2Y2Si16O38.10H2O, a
double-sheet silicate with zeolitic properties
Note: Several bond lengths cannot be reproduced with this data, but the authors
no longer have the original data, so they cannot check
_database_code_amcsd 0001072
9.512 23.956 9.617 90 93.85 90 P2_1/n
atom       x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1     .0685  .2488  .5702 .62  .0558  .0257  .0458  .0074  .0148  .0045
K2      .541  .2478   .047 .38  .0387  .0316  .0380 -.0104  .0122 -.0062
Na1    .3713  .4991  .6312 .95  .0167  .0219  .0158 -.0019  .0036 -.0046
Na2A      .5     .5      0 .47  .0111  .0257  .0186  .0038  .0083  .0032
Na2B       0     .5     .5 .45  .0109  .0224  .0193  .0004  .0066  .0007
YCe  -.25645 .49845 .74445      .0022  .0053  .0057 -.0001  .0017 -.0002
Si1   -.2661 .18159  .7344      .0051  .0083  .0083  .0006  .0019  .0000
Si2A  -.4972 .38752  .2288      .0035  .0108  .0082 -.0005  .0035  .0000
Si2B   .2275 .38831 -.4931      .0037  .0118  .0084 -.0003  .0045 -.0007
Si3   -.4548 .38870  .5524      .0030  .0120  .0082  .0006  .0008 -.0009
Si4   -.2553 .31464  .7465      .0044  .0092  .0067 -.0001  .0009 -.0008
Si5A   .2269 .11133 -.4953      .0044  .0125  .0077 -.0009  .0032 -.0003
Si5B   .4979 .11160  .2246      .0047  .0125  .0078 -.0007  .0034  .0005
Si6   -.4521 .10614  .5519      .0046  .0133  .0070 -.0001  .0009  .0003
O1    -.2588  .2481  .7358      .0165  .0084  .0207 -.0036  .0000 -.0015
O2A   -.6183  .3414  .1882      .0075  .0204  .0186 -.0060  .0061 -.0050
O2B    .2029  .3384 -.6097      .0262  .0219  .0144 -.0063  .0093 -.0071
O3    -.3907  .1646  .6230      .0108  .0200  .0247  .0001 -.0075 -.0063
O4A    .1264  .1277 -.3711      .0072  .0185  .0112 -.0009  .0084 -.0030
O4B   -.3769  .1272  .1274      .0098  .0162  .0118 -.0036  .0054 -.0008
O5A   -.4349  .3718  .3891      .0215  .0222  .0068  .0062  .0021 -.0021
O5B    .3827  .3798 -.4176      .0039  .0362  .0219 -.0019  .0015  .0083
O6A    .4517  .4501  .2176      .0097  .0161  .0203  .0034  .0029  .0016
O6B    .2110  .4491  .4465      .0175  .0166  .0190  .0038  .0067  .0054
O7    -.4038  .4494  .5892      .0151  .0150  .0161 -.0014  .0015 -.0038
O8    -.3758  .3390  .6428      .0224  .0179  .0189  .0053 -.0089  .0017
O9A   -.2757  .3320  .9063      .0296  .0182  .0108 -.0009  .0107 -.0037
O9B    .8934  .3343 -.2989      .0090  .0274  .0376 -.0095  .0130 -.0050
O10A  -.4379  .1155  .3852      .0202  .0511  .0092 -.0109  .0008 -.0004
O10B   .3843  .1067 -.4185      .0038  .0320  .0177 -.0004  .0041  .0001
O11A   .6829  .4428 -.0799      .0125  .0225  .0119  .0039  .0080  .0091
O11B  -.0778  .4450  .6889      .0165  .0197  .0235  .0127  .0134  .0061
O12   -.3704  .0540  .6113      .0223  .0149  .0421  .0053 -.0083  .0060
O13W1  .8428  .4480  .3443      .0260  .0914  .0583  .0061  .0008 -.0468
O14W2  .3238  .4521  .8570      .0532  .0704  .0293 -.0342  .0064 -.0026
O15W3   .622  .2492   .359 .95  .0715  .0374  .0671  .0034 -.0020 -.0029
O16W4   .891   .187   .356 .46  .0337  .2355  .0435  .0493 -.0199 -.0613
O17W5   .383   .182   .865 .35  .0273  .1617  .0395  .0155 -.0030 -.0390
O18W6   .633   .750  -.610 .37  .1136  .0273  .1160 -.0003 -.0549 -.0050
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View JMOL 3-D Structure (permalink)
 
Howardevansite
Download hom/howardevansite.pdf
Hughes J M, Drexler J W, Campana C F, Malinconico M L
Download am/vol73/AM73_181.pdf
American Mineralogist 73 (1988) 181-186
Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from
Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
Note: Displacement ellipsoid for Na1 is not positive-definite
_database_code_amcsd 0001138
8.198 9.773 6.6510 103.82 101.99 106.74 P-1
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Cu   .78675 .79562 .7765     .00664 .00777  .0072 .00445  .00395 .00525
Fe1  .54817 .39238 .1191      .0037 .00217  .0040 .00145   .0017 .00145
Fe2  .29616 .98522 .4553      .0037 .00238  .0052  .0012   .0016  .0014
V1    .4101 .66723 .3893      .0033 .00146  .0035  .0010  .00145 .00095
V2    .8383 .73926 .2755      .0029 .00186  .0030  .0010  .00145  .0009
V3    .7710 .12589 .0913      .0029 .00194  .0029 .00115   .0015 .00115
Na1       0     .5    .5      .0026  .0314  .0514  .0115   .0144  .0407
Na2   .0234  .5509 -.016  .5  .0089  .0130  .0083  .0065 -.00345 -.0035
O1    .4450  .8570 .4201      .0022  .0017  .0059 .00125    .001  .0007
O2    .4821  .3502 .3713      .0048  .0034  .0049  .0011    .002 .00225
O3    .8014  .5556 .2637      .0056  .0033  .0086  .0021    .003 .00225
O4    .2201  .1642 .5035      .0061  .0036  .0040  .0031    .003 .00255
O5    .2729  .0075 .1599      .0068  .0040  .0045 .00285   .0025 .00275
O6    .4729  .5794 .1701      .0067  .0020  .0032 .00195    .002 .00115
O7    .7287  .7421 .0244      .0056  .0039  .0054 .00235   .0025 .00235
O8    .0552  .8210 .3184      .0040  .0040  .0080 -.0003    .002  .0015
O9    .1981  .5800 .3385      .0037  .0040   .016 .00055    .000  .0025
O10   .9907  .2365 .1897      .0039  .0061  .0080  .0004   .0005  .0025
O11   .7176  .0361 .2674      .0079  .0044  .0042  .0019    .003  .0022
O12   .6592  .2444 .0678      .0065  .0042  .0074  .0036   .0015   .001
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Dickthomssenite
Download hom/dickthomssenite.pdf
Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E,
Campana C F, Rakovan J F, Sommer A J, Brueseke M E
Download cm/vol39/CM39_1691.pdf
The Canadian Mineralogist 39 (2001) 1691-1700
Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah:
Descriptive mineralogy and arrangement of atoms
Locality: Firefly-Pigmay mine, Utah, USA
_database_code_amcsd 0005758
38.954 7.2010 16.3465 90 97.602 90 C2/c
atom      x     y      z Uiso
V1    .1506 .1163  .2101 .008
V2    .0991 .3673  .2912 .009
V3    .1518 .6170  .2117 .009
V4    .0987 .8661  .2904 .009
Mg1   .1255 .6238  .0018 .019
Mg2       0   1/2      0 .021
Mg3     3/4   3/4    1/2 .022
O1    .1132 .1176  .2833 .020
O2    .1364 .3688  .2184 .019
O3    .1157 .6180  .2906 .016
O4    .1346 .8663  .2117 .016
O5    .1895 .1120  .2605 .023
O6    .1547 .1253  .1095 .018
O7    .0607 .3744  .2388 .022
O8    .0930 .6350 -.1086 .015
O9    .1896 .6249  .2653 .023
O10   .1581 .6154  .1119 .015
O11   .0604 .8582  .2377 .024
O12   .0937 .8754  .3903 .022
Ow13  .1435 .8942 -.0206 .026
H13A  .1250 .9576 -.0237 .031
H13B  .1553 .9412  .0218 .031
Ow14  .0900 .7474  .0675 .036
H14A  .0964 .7313  .1188 .044
H14B  .0847 .8543  .0477 .044
Ow15  .1062 .3563  .0191 .025
H15A  .1113 .2898 -.0205 .029
H15B  .0954 .2869  .0492 .029
Ow16  .1607 .4948 -.0646 .038
H16A  .1621 .5505 -.1098 .045
H16B  .1807 .4920 -.0367 .045
Ow17 -.0264 .5035  .0997 .025
H17A -.0332 .6136  .1072 .030
H17B -.0131 .4663  .1420 .030
Ow18  .0416 .3922  .0715 .040
H18A  .0352 .2958  .0953 .048
H18B  .0572 .3634  .0421 .048
Ow19 -.0188 .2306 -.0267 .030
H19A -.0056 .1600  .0052 .036
H19B -.0332 .1581 -.0542 .036
Ow20  .7762 .7523  .4015 .028
H20A  .7723 .6677  .3652 .034
H20B  .7803 .8633  .3878 .034
Ow21  .7918 .8566  .5734 .039
H21A  .7966 .9656  .5586 .046
H21B  .8097 .7911  .5697 .046
Ow22  .7680 .4802  .5271 .030
H22A  .7561 .4064  .4941 .036
H22B  .7829 .4102  .5546 .036
Ow23  .7503 .4161  .2475 .024
H23A  .7684 .4801  .2440 .029
H23B  .7425 .3657  .2018 .029
Ow24  .7748 .2516  .3974 .030
H24A  .7614 .1811  .4204 .036
H24B  .7956 .2169  .3965 .036
Ow25  .9755 .0019  .6015 .028
H25A  .9547 .0393  .6005 .034
H25B  .9887 .0726  .5782 .034
Ow26      0 .3382    3/4 .026
H26   .9814 .3070  .7682 .031
Ow27      0 .8307    3/4 .030
H27   .9926 .8833  .7045 .036
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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