American Mineralogist Crystal Structure Database

13 matching records for this search.

Nordite-(La)
Download hom/norditela.pdf
Bakakin V V, Belov N V, Borisov S V, Solovyeva L P
Download am/vol55/AM55_1167.pdf
American Mineralogist 55 (1970) 1167-1181
The crystal structure of nordite and its relationship to melilite and
datolite-gadolinite
_database_code_amcsd 0000207
14.27 5.16 19.45 90 90 90 Pcca
atom     x     y      z Biso
Na1      0     0      0 2.05
Na2  .0696 .0125  .1693 2.10
Sr     .25     0  .0217  .06
La     .25     0  .3194  .39
Zn     .25    .5  .1687  .91
Si1  .0980 .4542  .0623  .61
Si2  .1019 .5433  .2747  .46
Si3  .1116 .5516 -.0819  .31
O1   .9955 .3389  .0811  .84
O2   .1701 .2995  .1101  .70
O3   .1172 .3537 -.0131 1.49
O4   .1019 .7640  .0672 1.64
O5       0 .6366    .25 1.28
O6   .1783 .7090  .2321  .83
O7   .1221 .6503  .3532 1.00
O8   .1178 .2392  .2714 1.26
O9   .1857 .2226  .4173 1.11
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Kelyanite
Download hom/kelyanite.pdf
Pervukhina N V, Borisov S V, Magarill S A, Naumov D Y, Vasilev V I
Download am/vol93/AM93_1666.pdf
American Mineralogist 93 (2008) 1666-1669
The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2
Locality: Kelyana deposit, Buryatia, Russia
_database_code_amcsd 0004681
13.560 13.560 10.004 90 90 120 P3
atom     x      y      z Uiso
Hg1  .2082 -.1482  .2704 .023
Hg2  .1502 -.0239  .3950 .024
Hg3  .4591 -.0228  .3926 .022
Hg4  .5156  .1587  .2674 .025
Hg5  .3490  .2160  .0625 .040
Hg6  .1912  .0731 -.0789 .033
Hg7  .3752  .5262  .0651 .037
Hg8  .5087  .4866 -.0629 .032
Hg9  .3171  .2007  .6004 .040
Hg10 .4761  .2153  .7418 .035
Hg11 .2922  .4839  .5977 .039
Hg12 .1586  .3120  .7268 .036
Sb1      0      0  .6629 .034
Sb2    2/3    1/3  .0015 .033
Sb3    1/3    2/3  .3325 .034
O1    .284  -.241   .203 .036
O2    .130   .076   .539 .041
O3    .391  -.188   .460 .043
O4    .534   .269   .126 .050
O5    .090  -.047  -.223 .036
O6    .628   .422  -.120 .047
Br1    2/3    1/3  .4678 .057
Br2      0      0  .1594 .058
Br3    1/3    2/3  .8165 .051
Cl1   .335  .2257  .3299 .057
Cl2   .472 -.0058  .6738 .057
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Poyarkovite
Download hom/poyarkovite.pdf
Vasil'ev V I, Pervukhina N V, Romanenko G V, Magarill S A, Borisov S V
Download cm/vol37/CM37_119.pdf
The Canadian Mineralogist 37 (1999) 119-126
New data on the mercury oxide-chloride mineral poyarkovite: The second
find, and crystal-structure determination
_database_code_amcsd 0005596
19.009 9.018 16.848 90 110.82 90 C2/c
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1  .6637  .1301 .8657 .016   .015   .008   .021   .001   .003  -.001
Hg2  .6635 -.1476 .8439 .022   .033   .010   .022  -.001   .010  -.001
Hg3  .8349  .1199 .9722 .014   .016   .021   .007  -.005   .007   .002
Hg4  .8275  .1254 .8198 .017   .024   .022   .008   .000   .009  -.002
Hg5  .9038  .4620 .9640 .019   .008   .021   .024  -.007   .001  -.005
Hg6  .7667  .5162 .8913 .033   .013   .051   .025   .022  -.005  -.011
Hg7  .0152  .1381 .0116 .025   .022   .009   .041   .001   .008  -.002
Hg8  .9320  .0144 .2021 .032   .005   .057   .032  -.008   .004  -.014
Hg9  .0111  .3740 .1792 .015   .015   .024   .008  -.004   .005  -.002
Cl1  .8501  .8127 .0185 .036   .040   .039   .036  -.001   .024   .002
Cl2  .9693  .3066 .8472 .013   .021   .005   .011  -.008   .006  -.004
Cl3  .6673  .2863 .7133 .023   .035   .006   .029  -.008   .012   .001
O1   .0098  .3625 .0550 .013   .009   .021   .007  -.005   .001  -.004
O2   .6664  .3333 .9064 .030   .033   .033   .019  -.004   .003  -.004
O3   .6677  .6060 .8105 .018   .013   .015   .027  -.009   .010  -.005
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Grechishchevite
Download hom/grechishchevite.pdf
Pervukhina N V, Vasil'ev V I, Borisov S V, Magarill S A, Naumov D Y
Download cm/vol41/CM41_1445.pdf
The Canadian Mineralogist 41 (2003) 1445-1453
The crystal structure of a polymorph of Hg3S2Br1Cl.5I.5
Locality: synthetic
_database_code_amcsd 0005919
13.249 13.259 8.710 90 90 90 Pbnm
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1   .3083  .4653  .2500 .045   .045   .046   .044   .001      0      0
Hg2   .1124  .3473 -.0087 .021   .021   .021   .022   .001   .000   .000
Hg3  -.0360  .1876  .2500 .049   .050   .048   .049   .000      0      0
Hg4   .1513  .6119 -.0064 .027   .027   .027   .027   .000   .000   .000
S1   -.0389  .2495 -.0160 .025   .027   .023   .024   .002  -.003   .003
S2    .2491  .4612 -.0109 .039   .038   .041   .038  -.002      0      0
Br1   .2108  .2129  .2500 .042   .041   .047   .037   .002      0      0
Br2   .2280  .2232 -.2500 .035   .035   .035   .036   .002      0      0
Cl1  -.0194 -.0205  .2500 .027   .025   .016   .040  -.005      0      0
I1   -.0004  .5030 -.2500 .032   .033   .031   .031   .000      0      0
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Radtkeite
Download hom/radtkeite.pdf
Pervukhina N V, Vasil'ev V I, Naumov D Y, Borisov S V, Magarill S A
Download cm/vol42/CM42_87.pdf
The Canadian Mineralogist 42 (2004) 87-94
The crystal structure of synthetic radtkeite, Hg3S2ClI
_database_code_amcsd 0005926
16.827 9.117 13.165 90 130.17 90 C2/m
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1       0 .2270    -.5   .027   .024   .026      0   .017      0
Hg2   .1510    .5 -.2535   .033   .031   .030      0   .020      0
Hg3    -.25   .25    -.5   .028   .031   .029  -.001   .019  -.001
Hg4  -.1405    .5 -.2342   .045   .040   .045      0   .031      0
Hg5   .0248 .2160 -.2048   .045   .047   .046   .000   .029   .000
S1   -.1475 .2331 -.2688   .021   .018   .030   .003   .016   .003
S2    .1234 .2315 -.2782   .024   .032   .029   .004   .016  -.001
I1   -.1245    .5  .0126   .033   .035   .033      0   .020      0
I2   -.3936     0 -.5269   .040   .032   .041      0   .027      0
Cl1   .1126     0 -.0101   .042   .026   .030      0   .028      0
Cl2   .1299     0 -.5162   .037   .042   .040      0   .031      0
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Hg3S2Cl1.5Br.5
 
Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y
Download cm/vol44/CM44_1239.pdf
The Canadian Mineralogist 44 (2006) 1239-1246
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
(Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
Hg3S2Cl2-xBrx (x ~ 0.5)
Sample: compound I
_database_code_amcsd 0006123
16.841 9.128 9.435 90 90.08 90 C2/m
atom     x      y     z  occ Uiso
Hg1     .5 -.2412    .5      .028
Hg2  .3749 -.2252 .7993      .023
Hg3  .2225    -.5 .7699      .035
Hg4    .25   -.25    .5      .029
Hg5  .5265    -.5 .7774      .034
S1   .5147 -.2361 .7564      .026
S2   .2303 -.2403 .7487      .033
Cl1  .1315    -.5 .0150      .032
Cl2  .6255    -.5 .0161      .034
Br1  .3734      0 .5175 .625 .042
Cl3  .3734      0 .5175 .375 .042
Br2  .3736    -.5 .5274 .623 .035
Cl4  .3736    -.5 .5274 .377 .035
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Hg3S2Cl1.54Br.46
 
Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y
Download cm/vol44/CM44_1239.pdf
The Canadian Mineralogist 44 (2006) 1239-1246
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
(Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
Hg3S2Cl2-xBrx (x ~ 0.5)
Sample: compound II
_database_code_amcsd 0006124
18.0409 18.0409 18.0409 90 90 90 Pm3n
atom     x     y     z occ Uiso
Hg1    .25 .3564 .1436     .038
Hg2      0 .1447 .1355     .034
Hg3  .1153    .5 .1415     .035
Hg4  .1160 .3638     0     .035
S1   .1174 .3680 .1322     .027
S2   .1323 .1323 .1323     .029
Cl1      0    .5     0     .012
Br1      0     0     0     .075
Cl2      0 .2450     0 .72 .037
Br2      0 .2450     0 .28 .037
Cl3    .25    .5     0 .67 .032
Br3    .25    .5     0 .33 .032
Cl4      0 .2486 .2570 .70 .034
Br4      0 .2486 .2570 .30 .034
Cl5      0    .5   .25     .019
Cl6    .25   .25   .25     .023
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Hg3S2Br1.5Cl.5
 
Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y
Download cm/vol44/CM44_1247.pdf
The Canadian Mineralogist 44 (2006) 1247-1255
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
(Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of
Hg3S2Cl2-xBrx (x~0.5)
Sample: compound I
_database_code_amcsd 0006125
17.824 9.238 10.269 90 115.69 90 C2/m
atom      x     y      z Uiso
Hg1   .1325 .2378  .5016 .030
Hg2   .2166    .5  .7847 .050
Hg3   .0768    .5  .2259 .049
Hg4  -.0733 .2327  .2057 .028
S1    .0714 .2453  .2461 .024
S2    .1992 .2443  .7614 .022
Cl1   .3820    .5  .0031 .045
Br1   .2496     0  .4954 .025
Br2       0     0     .5 .029
Br3       0    .5     .5 .028
Br4   .1241    .5 -.0134 .051
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Hg3S2Br1.5Cl.5
 
Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y
Download cm/vol44/CM44_1247.pdf
The Canadian Mineralogist 44 (2006) 1247-1255
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
(Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of
Hg3S2Cl2-xBrx (x~0.5)
Sample: compound II
_database_code_amcsd 0006126
18.248 18.248 18.248 90 90 90 Pm3n
atom     x     y     z  occ Uiso
Hg1    .25 .3575 .1425      .024
Hg2      0 .1438 .1344      .020
Hg3  .1160    .5 .1401      .021
Hg4  .1172 .3643     0      .021
S1   .1188 .3697 .1306      .016
S2   .1315 .1315 .1315      .017
Cl3      0 .2465     0 .329 .014
Br3      0 .2465     0 .671 .014
Br1      0     0     0      .024
Br2      0    .5     0      .029
Br4    .25    .5     0  .71 .013
Cl4    .25    .5     0  .29 .013
Br5      0 .2489 .2550  .83 .019
Cl5      0 .2489 .2550  .17 .019
Br6      0    .5   .25  .54 .011
Cl6      0    .5   .25  .46 .011
Br7    .25   .25   .25  .57 .019
Cl7    .25   .25   .25  .43 .019
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Cannizzarite
Download hom/cannizzarite.pdf
Borisov S V, Pervukhina N V, Magarill S A, Kuratieva N V, Bryzgalov I A,
Mozgova N N, Chaplygin I V
 
The Canadian Mineralogist 50 (2012) 387-395
The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano,
Iturup Island, Kuriles, Russia
Locality: Kudriavy Volcano, Iturup Island, Kuriles, Russia
_database_code_amcsd 0019197
15.4172 4.0582 20.8071 90 98.031 90 P2_1/m
atom      x    y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1   .6212 -.25  .5380 .792 .017   .020   .016   .015   .004      0      0
Pb2  -.1259 -.25  .2360      .029   .036   .023   .028   .003      0      0
Pb5  -.1247 -.25  .4422      .030   .040   .024   .028   .009      0      0
Pb6   .1094 -.75  .1680      .029   .035   .022   .032   .010      0      0
Cd4   .0730  .25  .3587 .163 .019   .023   .018   .018   .004      0      0
Cd9   .3809 -.25 -.0442 .239 .019   .021   .018   .019   .005      0      0
Cd10  .3667  .75  .2914 .221 .016   .017   .015   .016   .003      0      0
Cd11  .0901  .25 -.0429 .189 .018   .023   .015   .017   .004      0      0
Bi3   .6037 -.25  .2070      .024   .026   .025   .022   .004      0      0
Bi4   .0730  .25  .3587 .837 .019   .023   .018   .018   .004      0      0
Bi7   .6125  .25  .3725      .022   .024   .022   .018   .003      0      0
Bi8   .3758  .25  .1244      .026   .028   .025   .025   .005      0      0
Bi9   .3809 -.25 -.0442 .761 .019   .021   .018   .019   .005      0      0
Bi10  .3667  .75  .2914 .779 .016   .017   .015   .016   .003      0      0
Bi11  .0901  .25 -.0429 .811 .018   .023   .015   .017   .004      0      0
In1   .6212 -.25  .5380 .208 .017   .020   .016   .015   .004      0      0
S1    .7197  .25  .4865      .012   .012   .009   .014   .004      0      0
S2    .4867  .25  .2482      .019   .020   .019   .018   .004      0      0
S3    .0871 -.25  .0570      .014   .019   .011   .011   .003      0      0
S4    .2840  .25 -.0017      .021   .018   .017   .030   .008      0      0
S5    .7077 -.75  .1687      .009   .008   .009   .008   .000      0      0
S6    .7059 -.25  .3264 .828 .022   .025   .021   .021   .005      0      0
S7    .2699  .25  .3375 .711 .030   .021   .024   .048   .015      0      0
S8    .2750  .75  .1711      .014   .012   .013   .015   .001      0      0
S9    .0606 -.25  .4518      .014   .019   .012   .011  -.001      0      0
S10   .0595 -.25  .2598      .014   .020   .013   .007   .002      0      0
S11   .4957 -.25  .4182      .018   .022   .015   .018   .006      0      0
S12   .4940 -.25  .0832      .019   .022   .017   .019   .006      0      0
S13  -.1006  .25  .3408      .013   .018   .010   .012   .006      0      0
S14  -.0743 -.75  .1380      .016   .023   .010   .017   .008      0      0
Se6   .7059 -.25  .3264 .172 .022   .025   .021   .021   .005      0      0
Se7   .2699  .25  .3375 .289 .030   .021   .024   .048   .015      0      0
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Aktashite
Download hom/aktashite.pdf
Vasil'ev V I, Pervukhina N V, Borisov S V, Magarill S A, Naumov D Y, Kurat'eva N V
 
Geology of Ore Deposits 52 (2010) 656-661
Aktashite Cu6Hg3As4S12 from the Aktash Deposit, Altai, Russia:
Refinement and crystal chemical analysis of the structure
Locality: Aktash deposit, Gorny Altai, Russia
_database_code_amcsd 0018863
13.7500 13.7500 9.3600 90 90 120 R3
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .0565 .1599 .3845 .0112   .013   .013   .010  .0078  .0025  .0009
Cu2  .2251 .2932 .0450 .0128   .016   .010   .014  .0085 -.0022 -.0022
Hg   .1054 .3609 .6993 .0118  .0127  .0123  .0104  .0062  .0008  .0014
As1  .2800 .4999 .3683 .0108   .014   .009  .0117  .0072 -.0003  .0023
As2    1/3   2/3 .6829 .0147   .019   .019   .006  .0095   .000   .000
S1   .1067 .3465 .4301 .0193   .020   .015   .019   .006   .003  -.001
S2   .2670 .4706 .1339 .0216   .026   .014   .023   .008   .003  -.001
S3   .1700 .5498 .8058 .0218   .028   .029   .016   .020  -.001   .004
S4   .2285 .2886 .7898 .0303   .037   .025   .030   .016   .000  -.003
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Laffittite
Download hom/laffittite.pdf
Pervukhina N V, Borisov S V, Magarill S A, Vasil'ev V I, Kuratieva N V
 
Journal of Structural Chemistry 51 (2010) 683-688
Redetermination and crystallographic analysis of the structure of
Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan)
Locality: Chauvai deposit, Kyrgyzstan
_database_code_amcsd 0017799
7.7560 11.3340 6.6650 90 115.233 90 Aa
atom     x      y     z  occ  Uiso
Ag     .25 .02131     0      .0300
Hg   .7897 .31679 .0313      .0268
As   .2871 .35167 .0218 .929 .0137
Sb   .2871 .35167 .0218 .071 .0137
S1   .4217  .0089 .4328      .0153
S2   .9846  .2857 .4703      .0144
S3   .4377  .3711 .3964      .0157
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Manganoneptunite
Download hom/manganoneptunite.pdf
Borisov S V, Klevtsova R F, Bakakin V V, Belov N V
 
Soviet Physics Crystallography 10 (1966) 684-689
The crystal structure of neptunite
Locality: Lovozero, Russia
_database_code_amcsd 0018809
16.41 12.55 10.03 90 115.5 90 C2/c
atom    x    y    z occ Biso
K       0 .569 .250      .30
Na   .241  .22 .805     2.26
Li      0 .074 .250      .25
Mn   .160 .185 .398 .73  .52
Fe   .160 .185 .398 .27  .52
Ti   .090 .939 .116      .38
Si1  .026 .278 .091      .70
Si2  .103 .844 .414      .55
Si3  .232 .524 .399      .47
Si4  .147 .411 .559     1.00
O1   .106 .286 .250      .07
O2   .033 .172 .418     3.00
O3   .210 .307 .587     3.00
O4   .123 .043 .253     1.10
O5   .202 .071 .580     -.55
O6   .049 .948 .431     1.29
O7   .113 .818 .277     1.66
O8   .164 .517 .484      .19
O9   .166 .457 .729      .60
O10  .039 .374 .471      .80
O11  .289 .631 .470     1.16
O12  .431 .758 .524      .68
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Total number of retrieved datasets: 13
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