American Mineralogist Crystal Structure Database

7 matching records for this search.

Lusernaite-(Y)
 
Biagioni C, Bonaccorsi E, Camara F, Cadoni M, Ciriotti M E, Bersani D, Kolitsch U
 
American Mineralogist 98 (2013) 1322-1329
Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from
Luserna Valley, Piedmont, Italy: Description and crystal structure
Locality: Dora-Maira massif, Western Alps, Italy
_database_code_amcsd 0019909
7.8412 11.0313 11.3870 90 90 90 Pmna
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1      .25 .49751    .75  .790 .0171  .0120  .0281  .0111      0  .0007      0
Er1     .25 .49751    .75  .075 .0171  .0120  .0281  .0111      0  .0007      0
Yb1     .25 .49751    .75  .045 .0171  .0120  .0281  .0111      0  .0007      0
Gd1     .25 .49751    .75  .035 .0171  .0120  .0281  .0111      0  .0007      0
Ca1     .25 .49751    .75  .025 .0171  .0120  .0281  .0111      0  .0007      0
Sm1     .25 .49751    .75  .005 .0171  .0120  .0281  .0111      0  .0007      0
Pb1A    .25   .570    .75  .015 .0171  .0120  .0281  .0111      0  .0007      0
Pb1B    .25   .409    .75 .0135 .0171  .0120  .0281  .0111      0  .0007      0
Y2        0 .23037 .84868  .915 .0203  .0166  .0282  .0160      0      0  .0001
Dy2       0 .23037 .84868  .085 .0203  .0166  .0282  .0160      0      0  .0001
Al        0     .5 1.0000       .0182   .012   .034   .009      0      0  -.002
C        .5  .6827  .9152        .021   .016   .036   .012      0      0   .007
OH1  -.1625  .3949  .9272       .0233   .011   .046   .013   .001   .001  -.001
O2    .3573  .6424  .8745        .034   .017   .054   .030  -.007   .007  -.009
O3       .5  .7587  .9988        .026   .022   .038   .018      0      0  -.011
F4     -.25  .2136    .75   .33  .027   .016   .046   .020      0      0      0
OH4    -.25  .2136    .75   .67  .027   .016   .046   .020      0      0      0
OH5       0  .4177 1.1437        .020   .021   .033   .006      0      0   .007
OH6       0  .3873  .7091        .021   .019   .037   .007      0      0   .007
Ow1  -.1876  .1348  .9854        .055   .052   .063   .050   .007   .016   .019
Hw1  -.2011  .0366  .9887        .050
Hw2  -.3140  .1579 1.0142        .050
Wat2      0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
OH2       0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
Wat3   -.25  -.141    .75   .50  .101
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Labuntsovite
 
Cadoni M, Ferraris G
 
European Journal of Mineralogy 19 (2007) 217-222
Microporous titanosilicates - synthesis and structural characterization of
a new orthorhombic-type labuntsovite
_database_code_amcsd 0007215
7.278 14.134 7.118 90 90 90 Cmmm
atom      x     y      z occ Uiso
Na1   .2832 .2659      0 .24 .026
Na2  -.2081     0     .5 .68 .057
Na3   -.445    .5      0 .17 .007
Ti1     .25   .25     .5     .020
Si1       0 .3888  .2250     .012
O1        0 .3800      0     .037
O2        0    .5  .2763     .039
O3    .1837 .3417  .3041     .034
O4        0 .2000     .5     .017
Wat1      0     0  .2710 .87 .128
Wat2      0  .124 -.1760 .54 .028
Wat3   .063 .1611      0 .31 .036
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KNa3SrSi8O19*4.3H2O
 
Cadoni M, Ferraris G
 
European Journal of Mineralogy 21 (2009) 485-493
Two new members of the rhodesite mero-plesiotype series
close to delhayelite and hydrodelhayelite:
synthesis and crystal structure
Note: Sample TRO4
Note: cell parameters, occupancy and positional parameters corrected by author
_database_code_amcsd 0007279
6.6599 23.7225 7.0225 90 91.81 90 P2_1/m
atom         x     y      z occ Uiso
Na1      .0170 .5058  .7423     .026
Na2         .5    .5      0     .018
Sr          .5    .5     .5     .008
K        .5947   .75  .0066     .033
Si1      .4775 .6833  .4975     .006
Si2      .2703 .3852  .7748     .007
Si3      .0865 .6168  .5114     .008
Si4      .2596 .3848  .2107     .007
O1       .2474 .6685  .5340     .015
O2       .4963   .75  .4669     .017
O3       .6182 .6663  .6783     .017
O4       .5455 .6533  .3048     .015
O5       .3077 .4501  .7532     .013
O6       .2443 .3624 -.0084     .010
O7       .0700 .3620  .6574     .012
O8       .1800 .5571  .4681     .016
O9      -.0288 .6173  .7142     .016
O10      .3459 .4457  .2380     .020
Wat1A     .236 .6828   .970 .32 .039
Wat1B     .232  .732   .908 .17 .055
Wat1C     .230  .708   .946 .15 .037
Wat2     .9610   .75  .2042     .037
Wat3     .1954 .5616  .0485     .033
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KNaCa2Si8O19*5H2O
 
Cadoni M, Ferraris G
 
European Journal of Mineralogy 21 (2009) 485-493
Two new members of the rhodesite mero-plesiotype series
close to delhayelite and hydrodelhayelite:
synthesis and crystal structure
Note: Sample TRO3
_database_code_amcsd 0007280
6.5850 23.776 7.0250 90 90 90 Pn2_1m
atom        x      y     z occ Uiso
K       .0575  .2525     0     .041
Na       .497  .0018  .237  .5 .065
Ca1     .0228 -.0023     0     .016
Ca2    -.0179  .0095    .5     .012
Si1     .2133  .1188 .2158     .014
Si2     .2123  .3888 .2217     .013
Si3     .9607  .1861    .5     .006
Si4     .9565  .3196    .5     .017
Si5     .5744  .1119    .5     .016
Si6     .5708  .3949    .5     .010
O1      .0954  .0612 .2419     .019
O2      .1441  .4518 .2407     .037
O3      .0973  .1726 .3184     .024
O4      .0599  .3424 .3070     .031
O5       .261  .1366     0     .023
O6      .2302  .3670     0     .006
O7      .4288  .1318 .3204     .025
O8      .4430  .3923 .3069     .032
O9       .736  .1614    .5     .064
O10      .735  .3428    .5     .023
O11     .9405  .2539    .5     .030
O12      .680  .4531    .5     .044
O13      .657  .0514    .5     .055
Wat1     .708  .0528     0     .060
Wat2     .660  .4691     0     .068
Wat3     .456  .2603  .207  .5 .056
Wat4     .698  .3315     0     .087
Wat5     .750  .1730     0     .076
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Paseroite
 
Mills S J, Bindi L, Cadoni M, Kampf A R, Ciriotti M E, Ferraris G
 
European Journal of Mineralogy 24 (2012) 1061-1067
Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group
Locality: the Molinello mine,Val Graveglia, Italy
_database_code_amcsd 0019584
10.3894 10.3894 20.8709 90 90 120 R-3
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbM0      0      0      0 .61 .0240  .0239  .0239  .0241 .01194      0      0
SrM0      0      0      0 .39 .0240  .0239  .0239  .0241 .01194      0      0
MnM1      0      0     .5 .79 .0167  .0169  .0169  .0164  .0085      0      0
ZnM1      0      0     .5 .19 .0167  .0169  .0169  .0164  .0085      0      0
UM1       0      0     .5 .02 .0167  .0169  .0169  .0164  .0085      0      0
MnM2      0      0 .31037 .54 .0171  .0170  .0170  .0174  .0085      0      0
FeM2      0      0 .31037 .34 .0171  .0170  .0170  .0174  .0085      0      0
NaM2      0      0 .31037 .09 .0171  .0170  .0170  .0174  .0085      0      0
ZnM2      0      0 .31037 .03 .0171  .0170  .0170  .0174  .0085      0      0
MgM2      0      0 .31037 .01 .0171  .0170  .0170  .0174  .0085      0      0
VM3  .18510 .04422 .16498 .43 .0149  .0151  .0152  .0148  .0079 -.0003 -.0005
TiM3 .18510 .04422 .16498 .39 .0149  .0151  .0152  .0148  .0079 -.0003 -.0005
FeM3 .18510 .04422 .16498 .02 .0149  .0151  .0152  .0148  .0079 -.0003 -.0005
VM4  .08385 .33987 .60882 .43 .0165  .0174  .0164  .0164  .0090 -.0002 -.0002
TiM4 .08385 .33987 .60882 .39 .0165  .0174  .0164  .0164  .0090 -.0002 -.0002
FeM4 .08385 .33987 .60882 .02 .0165  .0174  .0164  .0164  .0090 -.0002 -.0002
VM5  .07595 .31544 .38897 .43 .0166  .0169  .0164  .0168  .0084  .0001 -.0001
TiM5 .07595 .31544 .38897 .39 .0166  .0169  .0164  .0168  .0084  .0001 -.0001
FeM5 .07595 .31544 .38897 .02 .0166  .0169  .0164  .0168  .0084  .0001 -.0001
O1    .1333  .1888  .5585     .0208   .019   .024  .0184  .0103 -.0007 -.0008
O2    .7109  .2050  .4465     .0199   .020   .019  .0212  .0105 -.0006 -.0016
O3    .3616  .1020  .5572     .0221   .021   .022  .0230   .011 -.0014 -.0003
O4    .5930  .0332  .5480     .0206   .021   .018  .0208  .0083  .0003  .0001
O5    .0525  .8531  .3363     .0214   .020   .017   .026  .0077  .0009  .0021
O6    .3653  .0985  .3386     .0200   .022   .020  .0198   .011 -.0015 -.0003
O7        0      0  .2133     .0158   .016   .016   .015  .0081      0      0
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Penkvilksite
Download hom/penkvilksite.pdf
Cadoni M, Ferraris G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=64&spage=87
Acta Crystallographica C64 (2008) i87-i90
Penkvilksite-2O: Na2TiSi4O11*2H2O
Locality: synthetic
Note: the second H could not be located
_database_code_amcsd 0010347
16.320 8.7378 7.3854 90 90 90 Pnca
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0     .5      0 .0080  .0120  .0076  .0045  .0008 -.0004 -.0005
Si1  .07996 .16049  .1236 .0078  .0131  .0069  .0035 -.0007  .0001 -.0007
Si2  .15690 .44096  .2605 .0078  .0112  .0090  .0032  .0000  .0000  .0001
Na    .0970  .6916  .6282 .0294   .045  .0103  .0324 -.0055 -.0193  .0045
O1    .1583  .2605  .1991 .0112   .016  .0088   .009  .0043 -.0036  .0010
O2    .0519  .0382  .2726 .0117   .016   .011   .007  .0024  .0011  .0023
O3    .0097  .2794  .0611 .0116   .013   .011   .011  .0042 -.0031  .0018
O4    .1146  .0513 -.0410 .0121   .019   .011   .007  .0017  .0064 -.0017
O5    .1063  .5405  .1149 .0110   .018  .0075  .0078 -.0030 -.0011  .0016
O6    .2500  .5000  .2702 .0130   .011   .017   .011  -.001   .000   .000
O7W   .1913  .6844 -.1457 .0410   .031   .056   .036  -.015  -.007   .027
H     .2575  .7027 -.1631  .070
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Wakefieldite-(Y)
Download hom/wakefielditey.pdf
Cadoni M, Ciriotti M E, Ferraris G
 
Rendiconti Lincei Scienze Fisiche e Naturali 22 (2011) 307-314
Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure
Locality: Montaldo di Mondovi, Italy
_database_code_amcsd 0018527
7.2591 7.2591 6.4255 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
YA   0   .75  .125 .40 .010 .01101 .01101 .00728      0      0      0
NdA  0   .75  .125 .15 .010 .01101 .01101 .00728      0      0      0
CeA  0   .75  .125 .15 .010 .01101 .01101 .00728      0      0      0
CaA  0   .75  .125 .15 .010 .01101 .01101 .00728      0      0      0
ThA  0   .75  .125 .15 .010 .01101 .01101 .00728      0      0      0
VT   0   .25  .375 .92 .009 .01044 .01044 .00539      0      0      0
AsT  0   .25  .375 .08 .009 .01044 .01044 .00539      0      0      0
O    0 .4312 .2048     .019 .02391 .01591 .01607      0      0 .00179
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Total number of retrieved datasets: 7
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