American Mineralogist Crystal Structure Database

11 matching records for this search.

Tuzlaite
Download hom/tuzlaite.pdf
Bermanec V, Armbruster T, Tibljas D, Sturman D, Kniewald G
Download am/vol79/AM79_562.pdf
American Mineralogist 79 (1994) 562-569
Tuzlaite, NaCa[B5O8(OH)2].3H2O, a new mineral with a pentaborate sheet
structure from the Tuzla salt mine, Bosnia and Hercegovina
_database_code_amcsd 0001662
6.506 13.280 11.462 90 92.97 90 P2_1/c
atom      x      y      z Biso
Ca    .2098 .89462 .08216  .93
Na    .3365  .9842  .3555 1.88
O1    .1026  .0914  .0545  .78
O2   -.1367  .8327  .2282 1.17
O3    .4159  .0519  .1541  .96
O4    .3098  .2278  .1374 1.10
O5   -.2355  .0885  .1190  .96
O6    .6756  .9823  .2754 1.11
OW7   .3315  .8150  .2692 1.53
Oh8   .5789  .8617  .0321 1.12
O9    .0286  .9889  .2199  .98
OW10  .1533  .7126  .0571 1.62
Oh11  .0475  .0776  .5934 1.47
O12  -.0220  .8302 -.2380 1.16
OW13  .5450  .8800  .5267 2.64
B1    .6216  .0410  .1812  .81
B2    .3128  .1275  .0750  .83
B3   -.1597  .7440  .2859  .88
B4   -.1221  .9343  .2827  .95
B5   -.0160  .0828  .1597  .79
H1     .250   .772   .283 2.37
H2     .445   .789   .293 2.37
H3     .665   .852   .084 2.37
H4     .090   .691   .121 2.37
H5     .082   .685  -.001 2.37
H6     .907   .955   .444 2.37
H7     .443   .850   .546 2.37
H8     .610   .829   .495 2.37
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Nchwaningite
 
Nyfeler D, Armbruster T, Dixon R, Bermanec V
Download am/vol80/AM80_377.pdf
American Mineralogist 80 (1995) 377-386
Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the
N'chwaning mine, Kalahari manganese field, South Africa
Locality: N'chwaning mine, South Africa
_database_code_amcsd 0001731
12.672 7.217 5.341 90 90 90 Pca2_1
atom      x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1  .18811 .82325      0 .925       .0111  .0113   .077  .0002  .0003  .0010
Mg1  .18811 .82325      0 .053       .0111  .0113   .077  .0002  .0003  .0010
Al1  .18811 .82325      0 .006       .0111  .0113   .077  .0002  .0003  .0010
Fe1  .18811 .82325      0 .004       .0111  .0113   .077  .0002  .0003  .0010
Ca1  .18811 .82325      0 .004       .0111  .0113   .077  .0002  .0003  .0010
Mn2  .95789 .16870 -.0220 .925       .0108  .0118  .0084  .0014 -.0005 -.0001
Mg2  .95789 .16870 -.0220 .053       .0108  .0118  .0084  .0014 -.0005 -.0001
Al2  .95789 .16870 -.0220 .006       .0108  .0118  .0084  .0014 -.0005 -.0001
Fe2  .95789 .16870 -.0220 .004       .0108  .0118  .0084  .0014 -.0005 -.0001
Ca2  .95789 .16870 -.0220 .004       .0108  .0118  .0084  .0014 -.0005 -.0001
Si   .81410 -.2139  .1877            .0089  .0078  .0078  .0003  .0001 -.0002
O1    .8171  .0097  .1733            .0131  .0079  .0090  .0005 -.0004 -.0004
Oh2   .9258 -.0159 -.3282            .0117  .0119  .0123  .0003 -.0006  .0011
Oh3   .6787  .3178  .3443            .0159   .008  .0127 -.0019  .0006 -.0005
Oh4   .9459  .3418  .3336            .0171  .0130   .013  .0006 -.0036 -.0008
O5    .9273 -.3084  .2310            .0104  .0116  .0132  .0013 -.0009  .0003
O6    .7677 -.2847 -.0889            .0153  .0106  .0080  .0013 -.0021 -.0016
H2     .881  -.109    .75       .02
H3     .681   .452   .355       .02
H4     .936   .472   .296       .02
H41    .996   .338    .47       .02
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Nezilovite
 
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005518
5.849 5.849 22.809 90 90 120 P6_3/mmc
atom     x      y      z occ Biso
Pb     2/3    1/3    .25      7.5
AlM1     0      0      0       .6
FeM2     0      0  .2590 .18   .2
TiM2     0      0  .2590 .22   .2
MnM2     0      0  .2590 .10   .2
ZnM3   1/3    2/3  .0272 .95   .5
MnM4   2/3    1/3 -.1893 .29   .5
FeM4   2/3    1/3 -.1893 .71   .5
MnM5 .1677  .3354 -.1063 .29   .2
FeM5 .1677  .3354 -.1063 .71   .2
O1       0      0  .1512      2.1
O2     1/3    2/3 -.0598       .6
O3    .361  .1805    .75      3.1
O4    .145   .290  .0523       .8
O5   .5024 -.5024  .3511      1.1
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Magnetoplumbite
Download hom/magnetoplumbite.pdf
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005519
5.902 5.902 23.185 90 90 120 P6_3/mmc
atom      x     y      z occ Biso
Pb      2/3   1/3    .25 .98  7.4
Ba      2/3   1/3    .25 .02  7.4
FeM1      0     0      0 .75   .3
MgM1      0     0      0 .25   .3
FeM2      0     0  .2587  .5   .6
MnM3    1/3   2/3  .0262 .45   .7
FeM3    1/3   2/3  .0262 .55   .7
SbM4    2/3   1/3 -.1895 .29   .6
FeM4    2/3   1/3 -.1895 .71   .6
MnM5 .16675 .3335 -.1076 .15   .6
FeM5 .16675 .3335 -.1076 .85   .6
O1        0     0  .1523      1.6
O2      1/3   2/3 -.0585       .8
O3     .375 .1875    .75       .9
O4    .1505  .301  .0532       .7
O5     .503 -.503  .3490       .9
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Hibonite
Download hom/hibonite.pdf
Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S
Download cm/vol34/CM34_1287.pdf
The Canadian Mineralogist 34 (1996) 1287-1297
Nezilovite, a new member of the magnetoplumbite group, and the crystal
chemistry of mognetoplumbite and hibonite
_database_code_amcsd 0005520
5.613 5.613 22.285 90 90 120 P6_3/mmc
atom     x      y      z occ Biso
Ca     2/3    1/3    .25 .85  2.8
Ce     2/3    1/3    .25 .06  2.8
La     2/3    1/3    .25 .03  2.8
Nd     2/3    1/3    .25 .01  2.8
Mg     2/3    1/3    .25 .05  2.8
AlM1     0      0      0       .5
AlM2     0      0  .2379  .5  1.1
FeM3   1/3    2/3  .0271 .15   .7
MgM3   1/3    2/3  .0271 .24   .7
AlM3   1/3    2/3  .0271 .61   .7
SiM4   2/3    1/3 -.1889 .03   .8
TiM4   2/3    1/3 -.1889 .25   .8
AlM4   2/3    1/3 -.1889 .72   .8
AlM5 .1679  .3358 -.1071       .4
O1       0      0  .1481       .7
O2     1/3    2/3 -.0565       .8
O3    .362   .181    .75      2.3
O4   .1531  .3063  .0520      1.0
O5   .5043 -.5043  .3508       .9
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Milarite
Download hom/milarite.pdf
Armbruster T, Bermanec V, Wenger M, Oberhansli R
 
European Journal of Mineralogy 1 (1989) 353-362
Crystal chemistry of double-ring silicates:
Structure of natural and dehydrated milarite at 100 K
Note: natural sample
Locality: Val Giuf, Graubunden, Switzerland
_database_code_amcsd 0006356
10.398 10.398 13.771 90 90 120 P6/mcc
atom      x      y      z  occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC        0      0    1/4       .744  .0092  .0092  .0099  .0046      0      0
CaA     1/3    2/3    1/4      1.441  .0123  .0123  .0302  .0061      0      0
BeT2    1/2    1/2    1/4  .77   .29  .0034  .0034  .0041  .0016      0      0
AlT2    1/2    1/2    1/4  .23   .29  .0034  .0034  .0041  .0016      0      0
SiT1 .08115 .33622 .11286       .432  .0052  .0063  .0048  .0028  -.004 -.0006
O1    .0937  .3831      0        .98  .0200  .0128  .0046  .0083      0      0
O2    .1951  .2760 .13492        .89  .0112  .0158  .0117  .0104 -.0022 -.0032
O3    .1149  .4731 .18100        .62  .0091  .0076  .0073  .0045 -.0018 -.0022
KB      1/3    2/3      0  .07   2.4    .02    .02    .05    .01      0      0
OB'     1/3    2/3  .0476 .147   1.0
KD        0      0      0 .013   1.0
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Milarite
Download hom/milarite.pdf
Armbruster T, Bermanec V, Wenger M, Oberhansli R
 
European Journal of Mineralogy 1 (1989) 353-362
Crystal chemistry of double-ring silicates:
Structure of natural and dehydrated milarite at 100 K
Note: heated sample
_database_code_amcsd 0006357
10.363 10.363 13.827 90 90 120 P6/mcc
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC        0      0    1/4       .98  .0123  .0123  .0125  .0062      0      0
CaA     1/3    2/3    1/4      1.03  .0130  .0130  .0132  .0065      0      0
BeT2    1/2    1/2    1/4 .787  .23   .002   .002   .003   .000      0      0
AlT2    1/2    1/2    1/4 .213  .23   .002   .002   .003   .000      0      0
SiT1 .08214 .33739 .11237      .487  .0061  .0065  .0055  .0029 -.0004 -.0002
O1    .0954  .3854      0       .95   .018   .012  .0052  .0071      0      0
O2    .1962  .2771  .1345       .90  .0115  .0154  .0111  .0096 -.0016 -.0018
O3    .1159  .4742 .18059       .65  .0106  .0081  .0062  .0049 -.0015 -.0017
KB      1/3    2/3      0  .10  2.7   .024   .024    .05   .012      0      0
KD        0      0      0  .17  1.0
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Lawsonite
Download hom/lawsonite.pdf
Armbruster T, Oberhansli R, Bermanec V
 
European Journal of Mineralogy 4 (1992) 17-22
Crystal structure of SrMn2(Si2O7)(OH)2.H2O, a new mineral of the lawsonite type
_database_code_amcsd 0006433
6.255 9.034 13.397 90 90 90 Cmcm
atom    x      y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr      0  .3114   1/4     1.29  .0267  .0142  .0082      0      0      0
Mn    1/4    1/4     0      .97  .0144  .0126  .0100 -.0029  .0043 -.0030
Si      0 -.0306 .1322      .93   .017   .011   .007      0      0      0
O1      0   .022   1/4      1.3   .024   .018   .009      0      0      0
O2   .285  .3707 .1160      1.5   .024   .015   .016  -.005   .005  -.005
O3      0  .1259 .0747      1.0   .017   .008   .012      0      0  -.002
OH4     0   .368 .5413      1.5   .022   .017   .016      0      0  -.007
Wat5 .043   .607   1/4  .5  1.7
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Metavivianite
Download hom/metavivianite.pdf
Chukanov N V, Scholz R, Aksenov S M, Rastsvetaeva R K, Pekov I V, Belakovskiy D I,
Krambrock K, Paniago R M, Righi A, Martins R F, Belotti F M, Bermanec V
 
Mineralogical Magazine 76 (2012) 725-741
Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
Locality: Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil
_database_code_amcsd 0018993
7.989 9.321 4.629 97.34 95.96 108.59 P-1
atom     x      y      z occ  Uiso
Fe1     .5     .5      0     .0112
Fe2  .1305 -.0845 -.5020     .0117
P    .1888  .1768  .0579     .0098
O1    .045   .219  -.129      .013
O2    .257   .064  -.129      .013
O3    .343   .324   .189      .015
O4    .105   .101   .312      .013
OH1   .351  -.080  -.678  .5  .024
Wat1  .351  -.080  -.678  .5  .024
Wat2  .259   .477   .697      .020
OH3   .137  -.275  -.310  .5  .028
Wat3  .137  -.275  -.310  .5  .028
Wat4  .560   .342   .696      .020
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Tilasite
Download hom/tilasite.pdf
Bermanec V
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1994 (1994) 289-294
Centro-symmetric tilasite from Nezilovo, Macedonia: a crystal structure refinement
Locality: Nezilovo, Macedonia
_database_code_amcsd 0014869
6.681 8.950 7.573 90 121.14 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      .5 .5822   .25  .0193  .0092  .0180      0  .0148      0
Mg     .25   .75    .5  .0088  .0097  .0087      0  .0046      0
As       0 .4295   .25  .0054  .0079  .0057  .0030      0      0
O1   .0050 .3138 .0771  .0148  .0178  .0145 -.0048  .0099 -.0020
O2   .2570 .9649 .6205  .0088  .0163  .0128 -.0037  .0041 -.0029
F       .5 .3319   .25  .0108  .0115  .0090      0  .0019      0
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Zincohogbomite-2N6S
 
Armbruster T, Bermanec V, Zebec V, Oberhansli R
 
Schweizerische Mineralogische und Petrographische Mitteilungen 78 (1998) 469-477
Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2,
from Nezilovo, Macedonia: occurence and crystal structure of a new polysome
Locality: Nezilovo, Macedonia
_database_code_amcsd 0019143
5.729 5.729 37.097 90 90 120 P6_3mc
atom      x      y      z   occ Biso
Zn1     2/3    1/3 .27662   .84  .48
Al1     2/3    1/3 .27662 .1086  .48
Mg1     2/3    1/3 .27662 .0544  .48
Zn2       0      0 .52706   .95  .48
Mg2       0      0 .52706  .017  .48
Al2       0      0 .52706 .0339  .48
Zn3     2/3    1/3 .55878   .91  .48
Mg3     2/3    1/3 .55878 .0306  .48
Al3     2/3    1/3 .55878 .0611  .48
Zn4     2/3    1/3 .65229   .95  .48
Mg4     2/3    1/3 .65229  .017  .48
Al4     2/3    1/3 .65229 .0339  .48
Zn5     1/3    2/3 .68484   .93  .48
Mg5     1/3    2/3 .68484 .0238  .48
Al5     1/3    2/3 .68484 .0475  .48
Zn6     1/3    2/3 .40084   .88  .48
Mg6     1/3    2/3 .40084 .0408  .48
Al6     1/3    2/3 .40084 .0814  .48
Zn7       0      0 .43266   .91  .48
Mg7       0      0 .43266 .0306  .48
Al7       0      0 .43266 .0611  .48
Fe      1/3    2/3 .30155        .44
Ti   -.1660 -.3320 .35345   .26  .51
Al8  -.1660 -.3320 .35345   .74  .51
Al9   .1665  .3330 .60593        .43
Al10      0      0  .6690        .49
Al11    2/3    1/3  .4176        .56
Al12  .5001  .0002 .48009        .44
Al13 -.1698 -.3396 .73135        .48
Al14    1/3    2/3  .5429        .45
O1      1/3    2/3  .6329         .9
O2      2/3    1/3  .5070         .9
O3    .1867  .3734  .5100        .61
O4        0      0  .3796         .9
O5   -.1469 -.2938  .6357        .66
O6    .5197  .0394  .3852        .69
O7    .4821  .9642  .2611        .79
O8    .1479  .2958  .7026        .53
O9    .4824  .9648  .5766        .59
O10  -.1838 -.3676  .4508        .52
OH11      0      0  .7588         .6
O12   .1658  .3316  .3260        .58
O13       0      0  .5800         .4
O14     1/3    2/3  .4544         .6
O15     2/3    1/3  .3285         .8
O16     1/3    2/3  .2054         .4
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Total number of retrieved datasets: 11
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