American Mineralogist Crystal Structure Database

19 matching records for this search.

Millerite
Download hom/millerite.pdf
Grice J D, Ferguson R B
Download cm/vol12/CM12_248.pdf
The Canadian Mineralogist 12 (1974) 248-252
Crystal structure refinement of millerite (B-NiS)
_database_code_amcsd 0005097
9.6071 9.6071 3.1434 90 90 120 R3m
atom      x       y      z Uiso
Ni   .91225 -.91225 .47546 .056
S    .11224 -.11224      0 .066
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Omphacite
Download hom/omphacite.pdf
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_62.pdf
The Canadian Mineralogist 13 (1975) 62-67
Two crystal structure refinements of a P2/n titanian ferro-omphacite
Sample: Tronto
_database_code_amcsd 0005103
9.622 8.826 5.279 90 106.92 90 P2/n
atom      x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeM1    .75 .6570   .25 .779  .0021  .0022  .0039      0  .0009      0
AlM1    .75 .6570   .25 .221  .0021  .0022  .0039      0  .0009      0
FeM11   .75 .8499   .75 .171  .0016  .0013  .0037      0  .0016      0
AlM11   .75 .8499   .75 .829  .0016  .0013  .0037      0  .0016      0
CaM2    .75 .0524   .25 .285  .0056  .0036  .0119      0  .0015      0
NaM2    .75 .0524   .25 .715  .0056  .0036  .0119      0  .0015      0
CaM21   .75 .4530   .75 .699  .0052  .0029  .0082      0  .0003      0
NaM21   .75 .4530   .75 .301  .0052  .0029  .0082      0  .0003      0
Si1   .0402 .8472 .2298       .0023  .0016  .0052  .0001  .0020 -.0002
Si2   .0381 .6651 .7354       .0019  .0019  .0045  .0000  .0015  .0000
O11   .8655 .8410 .1223       .0019  .0031  .0098  .0001  .0025 -.0003
O12   .8622 .6804 .6561       .0027  .0028  .0102  .0004  .0025 -.0006
O21   .1154 .0091 .3095       .0036  .0027  .0074 -.0007  .0018  .0000
O22   .1039 .5007 .8052       .0043  .0031  .0113  .0016  .0034  .0018
O31   .1077 .7660 .0082       .0038  .0032  .0060  .0001  .0021 -.0013
O32   .0969 .7430 .5019       .0024  .0034  .0082  .0002  .0021  .0007
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Omphacite
Download hom/omphacite.pdf
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_62.pdf
The Canadian Mineralogist 13 (1975) 62-67
Two crystal structure refinements of a P2/n titanian ferro-omphacite
Sample: Winnipeg
_database_code_amcsd 0005104
9.622 8.826 5.279 90 106.92 90 P2/n
atom      x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeM1    .75 .6560   .25 .786  .0017  .0021  .0053      0  .0005      0
AlM1    .75 .6560   .25 .214  .0017  .0021  .0053      0  .0005      0
FeM11   .75 .8499   .75 .251  .0013  .0016  .0038      0  .0008      0
AlM11   .75 .8499   .75 .749  .0013  .0016  .0038      0  .0008      0
CaM2    .75 .0520   .25 .260  .0052  .0035  .0106      0  .0005      0
NaM2    .75 .0520   .25 .740  .0052  .0035  .0106      0  .0005      0
CaM21   .75 .4526   .75 .672  .0045  .0033  .0095      0 -.0003      0
NaM21   .75 .4526   .75 .328  .0045  .0033  .0095      0 -.0003      0
Si1   .0402 .8464 .2305       .0015  .0020  .0046  .0000  .0011  .0001
Si2   .0382 .6647 .7353       .0017  .0018  .0035  .0001  .0010  .0001
O11   .8646 .8400 .1227       .0017  .0030  .0053 -.0001  .0012 -.0001
O12   .8632 .6798 .6559       .0012  .0030  .0061 -.0003  .0012 -.0003
O21   .1156 .0088 .3088       .0022  .0019  .0077 -.0003  .0007 -.0004
O22   .1041 .5002 .8058       .0033  .0022  .0089  .0008  .0019  .0007
O31   .1072 .7661 .0102       .0018  .0027  .0067  .0003  .0010 -.0012
O32   .0972 .7428 .5024       .0020  .0027  .0033 -.0001  .0017  .0008
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Celestine
Download hom/celestine.pdf
Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_181.pdf
The Canadian Mineralogist 13 (1975) 181-187
Anhydrous sulphates. I: Refinement of the crystal structure of celestite
with an appendix on the structure of thenardite
_database_code_amcsd 0005112
8.360 5.352 6.858 90 90 90 Pnma
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sr   .1841   .25 .1582 .00269 .01022 .00334       0  .00010       0
S    .4379   .75 .1849 .00264 .00444 .00182       0  .00009       0
O1   .5970   .75 .0937 .00325 .01042 .00814       0  .00320       0
O2   .3101   .75 .0406 .00496 .01082 .00612       0 -.00191       0
O3   .4219 .9745 .3101 .00397 .00548 .00668 -.00107  .00077 -.00082
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Thenardite
Download hom/thenardite.pdf
Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_181.pdf
The Canadian Mineralogist 13 (1975) 181-187
Anhydrous sulphates. I: Refinement of the crystal structure of celestite
with an appendix on the structure of thenardite
_database_code_amcsd 0005113
9.829 12.302 5.868 90 90 90 *Fddd
.125 .125 .125
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na   .4416  .125  .125 .00449 .00255 .00914      0      0  .00021
S     .125  .125  .125 .00228 .00160 .00503      0      0       0
O    .2138 .0572 .9793 .00359 .00259 .00976 .00031 .00144 -.00149
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Anhydrite
Download hom/anhydrite.pdf
Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_289.pdf
The Canadian Mineralogist 13 (1975) 289-292
Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
Locality: Leopoldshall, East Germany
_database_code_amcsd 0005117
6.993 6.995 6.245 90 90 90 Amma
atom     x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca     .75     0 .34760 .00343 .00377 .00354      0      0      0
S      .25     0 .15556 .00338 .00270 .00296      0      0      0
O1     .25 .1699  .0162 .00786 .00337 .00486      0      0      0
O2   .0819     0  .2975 .00351 .00679 .00513      0 .00121      0
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Cryolite
Download hom/cryolite.pdf
Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_377.pdf
The Canadian Mineralogist 13 (1975) 377-382
Refinement of the crystal structure of cryolite
_database_code_amcsd 0005118
5.4024 5.5959 7.7564 90 90.278 90 P2_1/n
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Al        0      0      0 .00558 .00521 .00286       0  .00002       0
Na1       0      0     .5 .00919 .00855 .00448       0 -.00025       0
Na2   .5133 -.0519  .2474 .01234 .01114 .00758 -.00175  .00002  .00015
F1    .1026  .0455  .2194 .01306 .01275 .00339  .00036 -.00162 -.00077
F2   -.2732  .1737  .0462 .00935 .01091 .00647  .00438  .00177  .00083
F3    .1634  .2690 -.0630 .01139 .00847 .00737 -.00335 -.00063  .00239
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Manganotantalite
Download hom/manganotantalite.pdf
Grice J D, Ferguson R B, Hawthorne F C
Download cm/vol14/CM14_540.pdf
The Canadian Mineralogist 14 (1976) 540-549
The crystal structures of tantalite, ixiolite and wodginite
from Bernic lake, Manitoba I. Tantalite and ixiolite
Locality: Bernic lake, Manitoba, Canada
_database_code_amcsd 0005130
14.413 5.760 5.084 90 90 90 Pbcn
atom     x     y     z occ Biso
Mn       0  .322   .25 .97  .63
Ti       0  .322   .25 .02  .63
Fe       0  .322   .25 .01  .63
Ta   .1628 .1770 .7367 .64  .64
Nb   .1628 .1770 .7367 .36  .64
O1    .099  .094  .055       .4
O2    .419  .112  .108      1.3
O3    .758  .121  .099       .9
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Tantalite-(Mn)
Download hom/tantalitemn.pdf
Grice J D, Ferguson R B, Hawthorne F C
Download cm/vol14/CM14_540.pdf
The Canadian Mineralogist 14 (1976) 540-549
The crystal structures of tantalite, ixiolite and wodginite
from Bernic lake, Manitoba I. Tantalite and ixiolite
Locality: Bernic lake, Manitoba, Canada
_database_code_amcsd 0005131
14.413 5.760 5.084 90 90 90 Pbcn
atom     x     y     z occ Biso
Mn       0  .322   .25 .97  .63
Ti       0  .322   .25 .02  .63
Fe       0  .322   .25 .01  .63
Ta   .1628 .1770 .7367 .64  .64
Nb   .1628 .1770 .7367 .36  .64
O1    .099  .094  .055       .4
O2    .419  .112  .108      1.3
O3    .758  .121  .099       .9
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Ixiolite
Download hom/ixiolite.pdf
Grice J D, Ferguson R B, Hawthorne F C
Download cm/vol14/CM14_540.pdf
The Canadian Mineralogist 14 (1976) 540-549
The crystal structures of tantalite, ixiolite and wodginite
from Bernic lake, Manitoba I. Tantalite and ixiolite
Locality: Bernic lake, Manitoba, Canada
_database_code_amcsd 0005132
4.785 5.758 5.160 90 90 90 Pbcn
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ta       0 .3317   .25  .42        .053   .006  .0013      0  -.003      0
Mn       0 .3317   .25  .30        .053   .006  .0013      0  -.003      0
Nb       0 .3317   .25  .24        .053   .006  .0013      0  -.003      0
Ti       0 .3317   .25  .02        .053   .006  .0013      0  -.003      0
Sn       0 .3317   .25 .005        .053   .006  .0013      0  -.003      0
Fe       0 .3317   .25 .002        .053   .006  .0013      0  -.003      0
O    .7224 .1217 .4158       2.8
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Wodginite
Download hom/wodginite.pdf
Ferguson R B, Hawthorne F C, Grice J D
Download cm/vol14/CM14_550.pdf
The Canadian Mineralogist 14 (1976) 550-560
The crystal structures of tantalite, ixiolite and wodginite
from Bernic lake, Manitoba II. Wodginite
Locality: Bernic lake, Manitoba, Canada
_database_code_amcsd 0005133
9.489 11.429 5.105 90 91.10 90 C2/c
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
SnC      0 .1689   .25 .567  .0013  .0010  .0053      0  .0016      0
TaC      0 .1689   .25 .250  .0013  .0010  .0053      0  .0016      0
TiC      0 .1689   .25 .113  .0013  .0010  .0053      0  .0016      0
FeC      0 .1689   .25 .070  .0013  .0010  .0053      0  .0016      0
MnA      0 .6575   .25       .0012  .0013  .0073      0  .0021      0
TaB  .2498 .4131 .2472 .891  .0015  .0012  .0064 -.0001  .0013  .0001
TaB  .2498 .4131 .2472 .109  .0015  .0012  .0064 -.0001  .0013  .0001
O1   .1334 .0577 .0833       .0031  .0013  .0085  .0000  .0019  .0001
O2   .1453 .4505 .5597       .0021  .0022  .0139  .0004  .0021 -.0005
O3   .1215 .3060 .0984       .0020  .0016  .0141 -.0015  .0023 -.0002
O4   .1161 .1834 .5758       .0023  .0019  .0142  .0003  .0033  .0005
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Roselite
Download hom/roselite.pdf
Hawthorne F C, Ferguson R B
Download cm/vol15/CM15_36.pdf
The Canadian Mineralogist 15 (1977) 36-42
The crystal structure of roselite
_database_code_amcsd 0005135
5.801 12.898 5.617 90 107.42 90 P2_1/c
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg        0      0      0 .485 .00467 .00137 .00167       0  .00004       0
Co        0      0      0 .515 .00467 .00137 .00167       0  .00004       0
Ca    .5618  .1216  .2307      .00414 .00139 .00139 -.00037       0  .00001
As   .21612 .12035 .56689      .00184 .00093 .00104 -.00010  .00031 -.00001
O1    .9422  .1739  .4974      .01021 .00146 .00138 -.00033  .00018 -.00016
O2    .2810  .0531  .8384      .00541 .00144 .00189  .00103  .00108 -.00004
O3    .2368  .0352  .3423      .00583 .00167 .00173 -.00106  .00052  .00012
O4    .4382  .2060  .5719      .00355 .00152 .00204 -.00002 -.00004  .00047
Wat   .8154  .1386  .9647      .00626 .00137 .00182 -.00032  .00081 -.00015
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Pachnolite
Download hom/pachnolite.pdf
Hawthorne F C, Ferguson R B
Download cm/vol21/CM21_561.pdf
The Canadian Mineralogist 21 (1983) 561-566
The crystal structure of pachnolite
_database_code_amcsd 0005195
12.117 10.414 15.680 90 90.37 90 *F2/d
0 0 .25
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Al   .34562  .1259 .37241      .00087 .00180 .00057  .00005  .00006  .00005
Ca1     3/8  .1736    1/8      .00094 .00195 .00076       0  .00013       0
Ca2     3/8  .5694    1/8      .00094 .00191 .00061       0  .00006       0
Na    .6292  .1274 -.0040      .00238 .00397 .00189  .00059  .00029  .00016
F1    .0542 -.0009  .1396      .00150 .00282 .00156  .00046  .00015 -.00017
F2    .2599 -.0093  .1014      .00208 .00288 .00143 -.00082  .00054 -.00017
F3    .3145  .1138  .2602      .00265 .00395 .00065 -.00075 -.00006  .00005
F4    .3792  .1430  .4852      .00295 .00368 .00066 -.00024 -.00007 -.00012
F5    .1982  .2505  .1039      .00137 .00293 .00148  .00057 -.00019 -.00023
F6   -.0092  .2530  .1341      .00170 .00298 .00212 -.00106  .00033 -.00031
O     .3930  .3753  .0349      .00230 .00319 .00091  .00003  .00001 -.00010
H1     .351   .371   .000  1.0
H2     .461   .360   .027  1.0
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Arsenohauchecornite
Download hom/arsenohauchecornite.pdf
Grice J D, Ferguson R B
Download cm/vol27/CM27_137.pdf
The Canadian Mineralogist 27 (1989) 137-142
The crystal structure of arsenohauchecornite
Locality: Vermilion mine, Sudbury District, Ontario, Canada
_database_code_amcsd 0005222
10.2711 10.2711 10.8070 90 90 90 I4/mmm
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni1      .5      0      0  .0078  .0078  .0094      0      0      0
Ni2  .14501 .14501 .37922  .0101  .0101  .0081  .0007 -.0004 -.0004
Ni3  .17109 .17109 .12524  .0088  .0088  .0087  .0014  .0014  .0014
Bi1      .5      0    .25  .0089  .0089  .0079      0      0      0
Bi2       0      0      0  .0098  .0098  .0102      0      0      0
As        0      0     .5  .0063  .0063  .0099      0      0      0
S1    .3493  .1613      0  .0052  .0057  .0076  .0009      0      0
S2    .2287      0  .2415  .0084  .0069  .0085      0  .0008      0
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: I
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005270
8.603 13.036 7.174 90 116.03 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2869      0  .1383      .0203  .0393  .0296      0  .0100      0
SiT1 .0100 .18584  .2239 .75  .0121  .0121  .0121  .0000  .0053  .0000
AlT1 .0100 .18584  .2239 .25  .0121  .0121  .0121  .0000  .0053  .0000
SiT2 .7108 .11828  .3442 .75  .0119  .0119  .0119  .0000  .0052  .0000
AlT2 .7108 .11828  .3442 .25  .0119  .0119  .0119  .0000  .0052  .0000
OA1      0  .1476      0      .0316  .0211  .0163      0  .0136      0
OA2  .6396      0  .2839      .0189  .0180  .0232      0  .0049      0
OB   .8301  .1486  .2264      .0225  .0332  .0263 -.0058  .0147  .0003
OC   .0361  .3103  .2572      .0192  .0203  .0214 -.0025  .0093 -.0018
OD   .1782  .1272  .4026      .0227  .0236  .0160  .0027  .0053  .0013
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: II
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005271
8.608 13.041 7.180 90 115.98 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2868      0  .1383      .0231  .0351  .0305      0  .0106      0
SiT1 .0100 .18569  .2237 .73  .0127  .0127  .0127  .0000  .0056  .0000
AlT1 .0100 .18569  .2237 .27  .0127  .0127  .0127  .0000  .0056  .0000
SiT2 .7108 .11824  .3442 .77  .0122  .0122  .0122  .0000  .0054  .0000
AlT2 .7108 .11824  .3442 .23  .0122  .0122  .0122  .0000  .0054  .0000
OA1      0  .1475      0      .0352  .0185  .0173      0  .0146      0
OA2  .6393      0  .2841      .0196  .0148  .0245      0  .0037      0
OB   .8301  .1482  .2268      .0257  .0291  .0261 -.0038  .0147  .0011
OC   .0363  .3107  .2579      .0229  .0143  .0236 -.0021  .0109 -.0023
OD   .1785  .1272  .4036      .0257  .0192  .0173  .0019  .0078  .0011
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: III
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005272
8.611 13.046 7.175 90 116.01 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2865      0  .1382      .0207  .0388  .0298      0  .0093      0
SiT1 .0100 .18572  .2238 .73  .0129  .0129  .0129  .0000  .0057  .0000
AlT1 .0100 .18572  .2238 .27  .0129  .0129  .0129  .0000  .0057  .0000
SiT2 .7107 .11825  .3442 .77  .0127  .0127  .0127  .0000  .0056  .0000
AlT2 .7107 .11825  .3442 .23  .0127  .0127  .0127  .0000  .0056  .0000
OA1      0  .1474      0      .0298  .0228  .0171      0  .0114      0
OA2  .6398      0  .2850      .0192  .0176  .0235      0  .0044      0
OB   .8299  .1482  .2265      .0218  .0351  .0259 -.0043  .0135  .0001
OC   .0362  .3109  .2576      .0193  .0199  .0219 -.0028  .0086 -.0029
OD   .1788  .1268  .4035      .0233  .0231  .0168  .0023  .0051  .0012
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Sanidine
Download hom/sanidine.pdf
Ferguson R B, Ball N A, Cerny P
Download cm/vol29/CM29_543.pdf
The Canadian Mineralogist 29 (1991) 543-552
Structure refinement of an adularian end-member high sanidine from the
Buck Claim Pegmatite, Bernic Lake, Manitoba
Sample: IV
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
Note: variety adularia
_database_code_amcsd 0005273
8.606 13.017 7.185 90 115.97 90 C2/m
atom     x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2864      0  .1384      .0201  .0351  .0288      0  .0093      0
SiT1 .0098 .18558  .2239 .70  .0118  .0118  .0118  .0000  .0052      0
AlT1 .0098 .18558  .2239 .30  .0118  .0118  .0118  .0000  .0000  .0000
SiT2 .7106 .11816  .3444 .80  .0110  .0110  .0110  .0000  .0048  .0000
AlT2 .7106 .11816  .3444 .20  .0110  .0110  .0110  .0000  .0048  .0000
OA1      0  .1470      0      .0300  .0181  .01183     0  .0132      0
OA2  .6392      0  .2844      .0184  .0149  .0241      0  .0042      0
OB   .8293  .1479  .2267      .0224  .0318  .0236 -.0032  .0138  .0011
OC   .0362  .3112  .2581      .0198  .0168  .0212 -.0028  .0093 -.0026
OD   .1788  .1268  .4046      .0224  .0213  .0136  .0022  .0044  .0014
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Krohnkite
Download hom/krohnkite.pdf
Hawthorne F C, Ferguson R B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=1753
Acta Crystallographica B31 (1975) 1753-1755
Refinement of the crystal structure of krohnkite
Locality: Chuquicamata, Chile
_database_code_amcsd 0009535
5.807 12.656 5.517 90 108.32 90 P2_1/c
atom     x      y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na   .5714  .1247 .2099      .01377 .00248 .01538 -.00016  .0086 -.00027
Cu       0      0     0      .00744 .00141 .00711       0  .0005       0
S    .2375 .11793 .5445      .00628 .00119 .00518  .00004 .00156 -.00017
O1   .0038  .1725 .4874      .00869 .00207 .01132  .00148 .00270  .00013
O2   .2911  .0573 .7844      .01003 .00195 .00765  .00048 .00250  .00128
O3   .2319  .0425 .3322      .00854 .00233 .00941  .00046 .00185 -.00198
O4   .4385  .1923 .5617      .01033 .00189 .00992 -.00167 .00314  .00005
Ow   .8315  .1343 .9513      .00831 .00148 .00842 -.00054 .00157 -.00009
H1    .927   .184  .992   .5
H2    .712   .140  .792   .5
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Total number of retrieved datasets: 19
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