American Mineralogist Crystal Structure Database

8 matching records for this search.

Ammineite
 
Bojar H P, Walter F, Baumgartner J, Farber G
 
The Canadian Mineralogist 48 (2010) 1359-1371
Ammineite, CuCl2(NH3)2, a new species containing an ammine complex:
Mineral data and crystal structure
Locality: Calleta Pabellon de Pica, Tarapaca region, Chile
Note: T = 100 K
_database_code_amcsd 0018300
7.688 10.645 5.736 90 90 90 Cmcm
atom     x      y    z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu      .5 .38685  .25 .0115  .0098  .0115  .0131      0      0      0
Cl1     .5 .16546  .25 .0122  .0136  .0106  .0125      0      0      0
Cl2     .5 .60817  .25 .0122  .0153  .0102  .0111      0      0      0
N    .2445  .3871  .25 .0124  .0143  .0151  .0079  .0001      0      0
H1    .210   .452  .25   .05
H2    .202   .356 .131   .05
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Klochite
 
Bojar H P, Walter F, Hauzenberger C, Postl W
 
The Canadian Mineralogist 49 (2011) 1115-1124
Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species
from the Kloch volcano, Styria, Austria
Locality: Kloch volcano, Bad Radkersburg district, Styria, Austria
_database_code_amcsd 0018643
10.120 10.120 14.298 90 90 120 P6/mcc
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC        0      0    .25 .81  .013   .014   .014   .010  .0069      0      0
NaC       0      0    .25 .19  .013   .014   .014   .010  .0069      0      0
NaB     1/3    2/3      0 .08   .03
FeA     1/3    2/3    .25 .87 .0063  .0071  .0071  .0047  .0035      0      0
MnA     1/3    2/3    .25 .13 .0063  .0071  .0071  .0047  .0035      0      0
ZnT2     .5      0    .25 .93 .0081  .0096  .0074  .0064  .0037      0      0
SiT1 .11653 .35251 .10978     .0079  .0084  .0107  .0048  .0049 -.0003 -.0006
O1    .1303  .3911      0     .0135   .016   .020   .005   .009      0      0
O2    .2211  .2773  .1354     .0146   .018   .020  .0103  .0135 -.0017 -.0011
O3    .1586  .4993  .1720     .0103  .0119  .0116  .0081  .0063  .0001 -.0005
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Trattnerite
 
Postl W, Walter F, Ettinger K, Hauzenberger C, Bojar H P
 
European Journal of Mineralogy 16 (2004) 375-380
Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
mineral data and crystal structure
Sample: tr1
Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3
_database_code_amcsd 0007066
10.050 10.050 14.338 90 90 120 P6/mcc
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC       0     0   .25 .05  .02
FeA    1/3   2/3   .25 .65       .0079  .0079  .0071  .0040      0      0
MgA    1/3   2/3   .25 .35       .0079  .0079  .0071  .0040      0      0
Mg2     .5    .5   .25 .62       .0185  .0185  .0102  .0153      0      0
Fe2     .5    .5   .25 .38       .0185  .0185  .0102  .0153      0      0
Si1  .1184 .3554 .1085           .0092  .0105  .0082  .0050 -.0002 -.0008
O1   .1345 .4019     0            .021   .018   .012   .008      0      0
O2   .2277 .2848 .1318            .017   .021   .022   .014   .001   .001
O3   .1588 .5004 .1739            .014   .014   .013  .0072 -.0011 -.0034
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Trattnerite
 
Postl W, Walter F, Ettinger K, Hauzenberger C, Bojar H P
 
European Journal of Mineralogy 16 (2004) 375-380
Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
mineral data and crystal structure
Sample: tr2
Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3
_database_code_amcsd 0007067
10.065 10.065 14.341 90 90 120 P6/mcc
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC        0      0    .25 .12   .019   .019   .015   .009      0      0
FeA     1/3    2/3    .25 .62  .0075  .0075  .0065  .0038      0      0
MgA     1/3    2/3    .25 .38  .0075  .0075  .0065  .0038      0      0
Mg2      .5     .5    .25 .59  .0145  .0145  .0081  .0104      0      0
Fe2      .5     .5    .25 .41  .0145  .0145  .0081  .0104      0      0
Si1  .11856 .35553 .10866      .0101  .0108  .0071  .0052 -.0000 -.0005
O1    .1339  .4009      0       .016   .015   .010   .007      0      0
O2    .2273  .2842  .1323      .0163  .0170  .0155  .0105  .0007  .0002
O3    .1595  .5012  .1737      .0139  .0133  .0104  .0077 -.0015 -.0025
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Fluoro-magnesiohastingsite
 
Bojar H P, Walter F
 
European Journal of Mineralogy 18 (2006) 503-508
Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania):
Mineral data and crystal structure of a new amphibole end-member
Locality: Dealul Uroi, Hunedoara county, Romania
_database_code_amcsd 0007162
9.871 18.006 5.314 90 105.37 90 C2/m
atom       x     y     z  occ  Uiso
NaAm       0 .4819     0 .095  .017
KAm        0 .4819     0  .04  .017
CaAm       0 .4819     0 .035  .017
NaA2   .0500    .5 .1032  .16  .024
KA2    .0500    .5 .1032 .065  .024
CaA2   .0500    .5 .1032  .06  .024
CaM4       0 .2794    .5      .0073
MgM1       0 .0871    .5 .885 .0073
TiM1       0 .0871    .5 .045 .0073
AlM1       0 .0871    .5  .04 .0073
Fe2+M1     0 .0871    .5  .03 .0073
MgM2       0 .1754     0  .69 .0068
Fe3+M2     0 .1754     0  .31 .0068
MgM3       0     0     0  .88 .0067
AlM3       0     0     0  .05 .0067
TiM3       0     0     0  .04 .0067
Fe2+M3     0     0     0  .03 .0067
SiT1   .2822 .0852 .3053 .525 .0059
AlT1   .2822 .0852 .3053 .475 .0059
SiT2   .2914 .1730 .8143  .96 .0056
AlT2   .2914 .1730 .8143  .04 .0056
O1     .1074 .0865 .2197      .0069
O2     .1191 .1715 .7318      .0076
F3     .1049     0 .7130      .0127
O4     .3660 .2510 .7885      .0086
O5     .3520 .1404 .1145      .0101
O6     .3470 .1167 .6132      .0106
O7     .3451     0 .2807      .0155
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Magnesio-fluoro-hastingsite
 
Bojar H P, Walter F
 
European Journal of Mineralogy 18 (2006) 503-508
Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania):
Mineral data and crystal structure of a new amphibole end-member
Locality: Dealul Uroi, Hunedoara county, Romania
_database_code_amcsd 0020144
9.871 18.006 5.314 90 105.37 90 C2/m
atom       x     y     z  occ  Uiso
NaAm       0 .4819     0 .095  .017
KAm        0 .4819     0  .04  .017
CaAm       0 .4819     0 .035  .017
NaA2   .0500    .5 .1032  .16  .024
KA2    .0500    .5 .1032 .065  .024
CaA2   .0500    .5 .1032  .06  .024
CaM4       0 .2794    .5      .0073
MgM1       0 .0871    .5 .885 .0073
TiM1       0 .0871    .5 .045 .0073
AlM1       0 .0871    .5  .04 .0073
Fe2+M1     0 .0871    .5  .03 .0073
MgM2       0 .1754     0  .69 .0068
Fe3+M2     0 .1754     0  .31 .0068
MgM3       0     0     0  .88 .0067
AlM3       0     0     0  .05 .0067
TiM3       0     0     0  .04 .0067
Fe2+M3     0     0     0  .03 .0067
SiT1   .2822 .0852 .3053 .525 .0059
AlT1   .2822 .0852 .3053 .475 .0059
SiT2   .2914 .1730 .8143  .96 .0056
AlT2   .2914 .1730 .8143  .04 .0056
O1     .1074 .0865 .2197      .0069
O2     .1191 .1715 .7318      .0076
F3     .1049     0 .7130      .0127
O4     .3660 .2510 .7885      .0086
O5     .3520 .1404 .1145      .0101
O6     .3470 .1167 .6132      .0106
O7     .3451     0 .2807      .0155
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Struvite-(K)
 
Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F
 
European Journal of Mineralogy 20 (2008) 629-633
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
Locality: Lengenbach, Switzerland
_database_code_amcsd 0007262
6.892 6.166 11.139 90 90 90 Pmn2_1
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0  .3662 .0032 .0586   .069  .0497   .057      0      0  .0120
Mg       0  .3825 .6492 .0201  .0220  .0169  .0215      0      0  .0018
P        0 -.0073 .2756 .0169  .0184  .0148  .0174      0      0 -.0007
O1       0 -.0214 .1381 .0275   .029   .028   .026      0      0   .003
O2       0 -.2381 .3293 .0272   .035   .018   .028      0      0   .006
O3   .1820  .1109 .3186 .0239  .0228  .0218   .027 -.0017   .002  -.003
O4     1/2  .3104 .0627  .049   .097   .021   .029      0      0      0
O5     1/2  .9147 .2409  .042   .020   .036   .071      0      0  -.031
O6   .2209  .2690 .5387 .0309   .027   .048   .018   .007   .001  -.005
O7   .2892  .5110 .2642 .0400   .041   .023   .056   .005   .024   .013
H41    1/2   .300 -.016  .037
H42    1/2   .256  .134  .037
H51   .391   .985  .251  .037
H61   .195   .251  .467  .037
H62   .303   .196  .584  .037
H71   .238   .401  .278  .037
H72   .186   .578  .290  .037
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Galgenbergite-(Ce)
 
Walter F, Bojar H P, Hollerer C E, Mereiter K
 
Mineralogy and Petrology 107 (2013) 189-199
The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4H2O
Locality:
_database_code_amcsd 0019826
6.3916 6.4005 12.3898 100.884 96.525 100.492 P-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)
Ca1  -.00410 .86573 .12130 .961 .014   .013   .013   .015   .003   .001   .001
Ce1  -.00410 .86573 .12130 .039 .014   .013   .013   .015   .003   .001   .001
Ce2   .52044 .37151 .15052 .944 .009   .008   .008   .010   .001   .001   .002
Ca2   .52044 .37151 .15052 .056 .009   .008   .008   .010   .001   .001   .002
Ce3   .75717 .10050 .40501 .928 .010   .009   .009   .012   .002   .000   .003
Ca3   .75717 .10050 .40501 .072 .010   .009   .009   .012   .002   .000   .003
C1     .5382  .9005  .1081      .012   .011   .012   .013   .003   .003   .006
O1     .6960  .0374  .1736      .017   .011   .014   .022   .001  -.003  -.001
O2     .5690  .7119  .0617      .014   .018   .011   .014   .006   .002   .001
O3     .3623  .9593  .0848      .017   .011   .014   .026   .004  -.002   .004
C2     .0624  .4262  .1245      .013   .014   .014   .014   .004   .005   .007
O4     .2179  .5699  .1854      .021   .015   .016   .029   .001   .003  -.001
O5     .0994  .2371  .0818      .014   .017   .012   .015   .006   .003   .003
O6    -.1209  .4741  .1012      .017   .012   .018   .026   .009   .005   .010
C3     .8205  .6345  .3675      .015   .017   .010   .015  -.001   .001   .002
O7     .6790  .6982  .3046      .028   .034   .020   .024   .006  -.013   .001
O8     .8536  .4430  .3396      .022   .028   .012   .024   .003   .009   .002
O9     .9196  .7721  .4551      .017   .019   .014   .015   .001  -.005  -.001
C4     .2831  .0945  .3458      .013   .014   .014   .012   .005   .000   .001
O10    .0828  .0603  .3077      .018   .012   .025   .014   .003  -.003   .002
O11    .3571  .0016  .4199      .024   .015   .036   .023   .004   .000   .019
O12    .4250  .2213  .3087      .022   .019   .030   .019   .003   .006   .012
O13w   .6820  .4130  .5451      .029   .036   .025   .029   .010   .011   .004
H1      .715   .421   .616      .038
H2      .534   .423   .541      .190
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Total number of retrieved datasets: 8
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