American Mineralogist Crystal Structure Database

8 matching records for this search.

Lazurite
Download hom/lazurite.pdf
Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A,
Chapuis G
 
Crystallography Reports 47 (2002) 404-407
Average structure of cubic lazurite with a three-dimensional incommensurate
modulation
Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia
_database_code_amcsd 0012380
9.077 9.077 9.077 90 90 90 P23
atom     x     y     z  occ Biso
Na1  .2585 .2585 .2585  .44  4.4
Na2  .2019 .2019 .2019  .24  3.1
Na3  .3253 .3253 .3253  .32  5.7
Na4  .6872 .6872 .6872  .37  6.6
NaM  .7547 .7547 .7547 .216  5.1
CaM  .7547 .7547 .7547 .144  5.1
Ca   .8150 .8150 .8150  .27  5.0
Si1     .5 .2499     0   .5  3.2
Al1     .5 .2499     0   .5  3.2
Si2     .5     0 .2499   .5  3.6
Al2     .5     0 .2499   .5  3.6
S1       0     0     0  .51  9.3
S2      .5    .5    .5  .37  8.1
OS1  .8996 .8996 .8996  .51 11.4
OS2  .3930 .3930 .3930  .37 10.4
S3   .1522    .5    .5 .056 19.3
Cl3  .1522    .5    .5 .004 19.3
S4   .2589     0     0 .066  8.7
Cl4  .2589     0     0 .004  8.7
S5   .2683    .5    .5 .026 10.3
Cl5  .2683    .5    .5 .004 10.3
S6   .1471     0     0 .046 11.6
Cl6  .1471     0     0 .004 11.6
O1   .3509 .3512 .0163       7.8
O2'  .1466 .1464 .5355  .68  4.3
O2"  .1508 .1521 .4502  .32  3.2
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Bystrite
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Pobedimskaya E A, Terent'eva L E, Sapozhnikov A N, Kashaev A A, Dorokhova G I
 
Doklady Akademii Nauk SSSR 319 (1991) 873-878
Crystal structure of bystrite
_database_code_amcsd 0012484
12.859 12.859 10.697 90 90 120 P31c
atom     x     y     z occ Biso
Ca       0     0     0 .94  .86
Na1   .136  .289  .258 .30 2.06
K1    .136  .289  .258 .10 2.06
Na2   .028  .512  .025 .60 1.84
K2    .028  .512  .025 .20 1.84
Na3   .388  .192  .777 .45 1.92
K3    .388  .192  .777 .15 1.92
Na4    2/3   1/3  .229 .75 2.16
K4     2/3   1/3  .229 .25 2.16
Si1  .2538 .2519 .0142 .51  .93
Al1  .2538 .2519 .0142 .49  .93
Si2  .6705 .0809 .2597 .51  .50
Al2  .6705 .0809 .2597 .49  .50
Si3  .0799 .4149 .7601 .51  .84
Al3  .0799 .4149 .7601 .49  .84
Si4  .2571 .0022 .0143 .51  .18
Al4  .2571 .0022 .0143 .49  .18
O1    .346  .011  .398     1.83
O2    .238  .119 -.017     2.71
O3    .679  .002  .149      .71
O4    .659  .013  .401     1.45
O5    .229  .116  .505     1.85
O6    .074  .539  .740     1.04
O7    .225  .451  .767     2.23
O8   -.004  .306  .153     1.91
S1    .551  .269  .744 .40 3.05
S2    .582  .276  .527 .23  .74
S3    .588  .284 -.014 .25 1.49
S4    .616  .263  .904 .30 2.75
Cl       0     0  .245 .48 2.24
Wat9     0     0  .753 .48 1.47
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Volborthite
Download hom/volborthite.pdf
Kashaev A A, Rozhdestvenskaya I V, Bannova I I, Sapozhnikov A N, Glebova O D
 
Journal of Structural Chemistry 49 (2008) 708-711
Balance, uniformity, and asymmetry of the structure of volborthite
Cu3(OH)2(V2O7)*2H2O
Locality: not given
_database_code_amcsd 0018692
10.646 5.867 14.432 90 95.19 90 Ia
atom      x     y      z  Uiso
Cu1       0 .7492      0 .0076
Cu2  .24954     0 .49886 .0063
Cu3  .24380 .4905 .50135 .0088
V1   .00232 .2738 .87181 .0061
V2   .49457 .7720 .12562 .0061
O1    .5705 .0098  .0878 .0087
O2   -.0678 .5021  .9140 .0140
O3    .3389 .7459  .5761 .0066
O4    .1558 .2439  .4252 .0133
O5    .0772 .4606  .0997 .0136
O6    .4262 .9532  .8983 .0114
O7    .5011 .7960  .2483 .0195
O-H1  .1585 .7517  .9391 .0098
O-H2  .3438 .2534  .0561 .0046
OW1   .3193 .2295  .7375  .032
OW2   .1688 .7522  .2586  .050
H1     .661  .247   .379  .017
H2     .352  .242   .138  .018
H3     .857  .848   .289  .084
H4     .808  .865   .781  .038
H5     .625  .167   .201  .063
H6     .170  .620   .215
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Armstrongite
Download hom/armstrongite.pdf
Kashaev A A, Sapozhnikov A N
 
Kristallografiya 23 (1978) 956-961
Crystal structure of armstrongite
_database_code_amcsd 0014184
14.04 14.16 7.81 90 109.55 90 C2
atom     x    y    z Biso
Ca    .248 .253 .053  1.3
Zr    .258    0 .024  1.3
Si1   .174 .139 .338  1.3
Si2   .202 .368 .345  1.3
Si3   .342 .363 .743  1.3
Si4   .337 .143 .718  1.3
Si5   .002 .005 .299  1.3
Si6   .008 .491 .294  1.3
O1      .5 .476   .5  1.3
O2       0 .492   .5  1.3
O3    .268 .117 .512  1.3
O4    .252 .398 .551  1.3
O5    .212 .102 .176  1.3
O6    .310 .378 .921  1.3
O7    .242 .416 .195  1.3
O8    .282 .110 .862  1.3
O9    .181 .253 .321  1.3
O10   .370 .252 .724  1.3
O11   .061 .103 .325  1.3
O12   .450 .423 .781  1.3
O13   .087 .404 .300  1.3
O14   .443 .091 .735  1.3
O15  -.090 .476 .114  1.3
O16  -.116 .028 .176  1.3
Wat1  .097 .238 .777  1.3
Wat2  .434 .231 .176  1.3
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Lazurite
Download hom/lazurite.pdf
Evsyunin V G, Sapozhnikov A N, Kashaev A A, Rastsvetaeva R K
 
Kristallografiya 42 (1997) 1014-1021
Crystal structure of triclinic lazurite
Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia
_database_code_amcsd 0014196
9.067 12.896 25.708 89.98 90.08 90.22 P1
atom      x      y     z occ Biso
Na1   .8086  .3142 .2489      2.1
Na2   .3073  .1821 .2498      2.7
Na3   .1601  .5069 .1545      2.5
Na4   .1796  .4940 .3444      3.3
Na5   .6979  .8239 .7478      2.0
Na6   .2254  .4928 .8619      2.9
Na7   .2139  .1878 .5063      2.4
Na8   .2652  .4921 .6358      2.4
Na9   .8127  .1904 .0037      2.6
Na10  .2256  .2168 .9982      2.8
Na11  .3442  .9959 .6583      2.2
Na12  .8034  .2178 .4976      3.4
Na13  .1994  .6894 .7487      1.9
Na14  .6583  .0057 .1585      2.1
Na15  .8438  .4969 .6568      1.7
Na16  .8462  .0031 .5978      2.1
Na17  .1610  .0003 .0093      2.4
Na18  .7740  .5127 .3600      2.5
Na19  .7821  .8118 .0051      2.2
Na20  .8298  .5094 .8424      2.2
Na21  .1943  .8138 .5047      2.2
Na22  .1948  .7901 .9953      2.4
Na23  .7771  .7808 .4957      2.6
Na24  .7440  .5083 .1352      2.2
CaM1  .3110  .2432 .7534 .75  1.7
NaM1  .3110  .2432 .7534 .25  1.7
CaM2  .7016  .7561 .2520 .55  1.9
NaM2  .7016  .7561 .2520 .45  1.9
CaM3  .7575  .0052 .8767 .75  1.6
NaM3  .7575  .0052 .8767 .25  1.6
CaM4  .2267  .7595 .2506 .45  1.9
NaM4  .2267  .7595 .2506 .55  1.9
CaM5  .7813  .2473 .7510 .25  1.9
NaM5  .7813  .2473 .7510 .75  1.9
CaM6  .7184  .0019 .3695  .5  1.5
NaM6  .7184  .0019 .3695  .5  1.5
CaM7  .2356 -.0008 .3773  .5  2.6
NaM7  .2356 -.0008 .3773  .5  2.6
CaM8  .2816  .9992 .8691 .25  1.9
NaM8  .2816  .9992 .8691 .75  1.9
Si1   .2438  .2484 .3738       .8
Si2   .7485  .2578 .3740       .7
Si3   .2764  .2581 .8766       .8
Si4   .5550  .3773 .6883       .8
Si5   .5042  .8749 .9369       .9
Si6   .4853  .3742 .1873       .8
Si7   .9785  .6249 .4402       .7
Si8   .0482  .1215 .6872       .7
Si9   .5436  .1211 .5633       .8
Si10  .0484  .3771 .5604      1.1
Si11  .2713  .7500 .6254       .9
Si12  .4637  .6208 .3127       .6
Si13  .9708  .8759 .3125       .6
Si14  .9901  .6255 .9347       .8
Si15  .9890  .3744 .0657       .7
Si16  .7678  .7517 .6270       .9
Si17  .7790  .2471 .8781       .5
Si18  .4826  .8792 .4398       .7
Si19  .4853  .1269 .0660       .7
Si20  .5056  .6289 .8095       .8
Si21  .7086  .7525 .1264       .8
Si22  .0102  .8755 .8107       .9
Si23  .2094  .7517 .1224       .8
Si24 -.0184  .1309 .1869       .6
Al1   .4953  .1302 .4375       .8
Al2   .5460  .3828 .8151       .6
Al3   .0227  .3764 .9416       .9
Al4  -.0068  .1272 .3106       .8
Al5   .7949  .2507 .6232       .8
Al6   .0114  .3757 .4361       .9
Al7   .2988  .2468 .6261       .8
Al8   .4971  .3730 .3110       .8
Al9   .5163  .1265 .9409       .9
Al10  .7341  .2539 .1266       .7
Al11  .0318  .1254 .8125       .6
Al12  .2365  .2469 .1269       .7
Al13  .7204  .7472 .3761       .8
Al14  .7525  .7540 .8711       .9
Al15  .0235  .8713 .6861       .7
Al16  .5202  .6276 .6858       .9
Al17  .5204  .8733 .5653       .9
Al18  .0172  .6283 .5657       .9
Al19  .2528  .7449 .8737       .9
Al20  .2214  .7514 .3788       .7
Al21  .9609  .6248 .0601      1.0
Al22 -.0399  .8808 .1865       .9
Al23  .4561  .6226 .1863       .8
Al24  .4665  .8789 .0630      1.0
S1    .9854  .0023 .4850      1.5
S2    .0544  .4668 .7512      1.3
S3    .5306  .0333 .7621      2.1
S4    .9562  .5357 .2509      1.9
S5    .0124  .9983 .9851      1.5
S6    .4732 -.0303 .2613      2.1
S7     .554   .484 -.019 .89 26.6
S8     .436   .621  .022 .82 18.3
S9     .451   .536  .486 .48 20.8
S10    .440   .382  .482 .30 10.5
O1    .5274  .3524 .7511       .8
O2    .1278  .1506 .1498      1.2
O3    .0383  .3472 .5023      1.2
O4    .9530 -.0013 .3240      1.5
O5    .4315  .4917 .1745      1.8
O6    .4421  .5004 .3234      1.0
O7    .5365  .3576 .2473      1.0
O8    .3528  .290  .3266      1.4
O9    .6610  .3485 .3454      1.2
O10   .8357  .1955 .3268      1.2
O11   .3534  .2986 .1772       .5
O12   .0389  .3488 .0049      1.5
O13   .1464  .1592 .3445      1.6
O14   .1767  .3347 .9084      1.6
O15   .1877  .1855 .8328      1.7
O16   .6272  .1529 .1023      1.3
O17   .9712  .8542 .7509       .9
O18   .4559  .6434 .7500      1.3
O19   .1254  .3506 .1051      1.0
O20   .8721  .6526 .6065      1.4
O21  -.0693  .0086 .1756      1.4
O22   .8430  .2030 .1764       .9
O23   .9088  .1610 .6534      1.5
O24   .3414  .2012 .0766      1.5
O25   .6272  .3502 .1503      1.4
O26   .1896  .3161 .5819      1.9
O27   .3879  .3298 .8424      1.2
O28   .0094  .1501 .7479       .8
O29   .6974  .3182 .6680      1.9
O30   .6063  .6698 .3398      1.6
O31   .0371  .1523 .2459      1.3
O32   .3681  .6522 .6462      1.5
O33   .5148  .1480 .5052      1.9
O34   .4339  .0103 .0765      1.5
O35   .8441  .3029 .0761      1.9
O36   .6319  .8318 .4180      1.6
O37   .3309  .1905 .4188      1.1
O38   .0460  .9934 .8230      1.4
O39   .1127  .8371 .1554      1.7
O40   .0725  .4985 .5742      1.5
O41   .1525  .8076 .8255      1.5
O42   .6429  .7076 .8231      1.2
O43   .6866  .1861 .5785      1.7
O44   .4825 -.0007 .4227      1.4
O45   .6472  .1712 .4008      1.7
O46   .6108  .6719 .1590      1.7
O47   .3554  .6464 .8428      1.7
O48   .1986  .1799 .6745      1.6
O49   .3710  .8434 .6032      1.1
O50   .1119  .8355 .3414      1.4
O51   .3035  .6907 .1643      1.6
O52   .1706  .7907 .6726      1.3
O53   .9827  .8498 .2526      1.5
O54   .1536  .3420 .3946      1.0
O55   .8657  .8500 .8424      1.4
O56   .3923  .1538 .5946      2.0
O57   .4702  .8581 .5030      1.8
O58   .8332  .6731 .4130      1.6
O59   .9350  .4937 .0737      2.0
O60   .5657  .5005 .6750      1.2
O61   .8751  .1676 .8445      1.7
O62   .4018  .3364 .6611      1.1
O63   .6665  .7093 .6733      1.3
O64   .8691  .8491 .6479      1.2
O65   .6715  .7920 .5776      1.5
O66   .1683  .7095 .5779      1.5
O67   .6571  .8268 .9180      1.4
O68   .6661  .1748 .9074      2.0
O69   .8941  .3458 .5901      1.7
O70   .0690 -.0005 .6754      1.3
O71   .3358  .8324 .4123      1.7
O72   .6170  .8381 .0956      2.0
O73   .5652  .514  .8229      1.2
O74   .8174  .8250 .3318      1.7
O75   .3130  .6736 .3323      1.8
O76   .5746 -.0014 .5747      1.8
O77   .0115  .5061 .9240      1.7
O78   .8067  .6919 .0839      1.9
O79   .5339  .1504 .0068      2.3
O80   .7044  .3304 .8390      1.6
O81   .1252  .6817 .4243      2.4
O82   .9553  .6552 .9936      2.1
O83   .8502  .3050 .4173      1.9
O84   .5125 -.0029 .9233      1.5
O85   .3534  .1822 .9196      1.4
O86   .4808  .8598 .9977      2.6
O87   .8534  .657  .8985      1.6
O88   .3624  .8346 .9072      2.4
O89   .8007  .8164 .1683      1.4
O90   .9853  .5056 .4239      1.8
O91   .4692  .6502 .2544      1.6
O92   .8759  .3095 .9200      2.6
O93   .1406  .6895 .9175      1.6
O94   .3045  .8154 .0793      1.5
O95   .9596  .6524 .5019      2.4
O96   .1110  .6705 .0923      3.4
O97    .058   .546 .7951     32.7
O98    .132  -.006 .4641      5.2
O99    .084   .523 .7041      2.9
O100   .160   .391 .7612      4.2
O101   .582   .131 .7424     10.0
O102   .372   .047 .7807      9.5
O103   .955   .462 .2946      4.0
O104   .915   .483 .2052      2.7
O105   .844   .608 .2613      4.2
O106   .467   .875 .2404     13.7
O107   .385   .013 .2989      9.2
O108   .124   .983 .9461      5.5
O109   .871   .017 .9601      3.6
O110  -.096   .419 .7501      3.8
O111   .099   .581 .2485      3.6
O112   .876   .011 .4451      4.5
O113   .958  -.090 .5179      4.0
O114   .978   .092 .5202      3.6
O115   .522   .961 .7183      5.6
O117   .043   .092 .0203      3.6
O118   .468   .051 .2214      3.8
O119   .628   .995 .8008      5.6
O120   .629   .954 .2837     13.8
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Lazurite
Download hom/lazurite.pdf
Evsyunin V G, Rastsvetaeva R K, Sapozhnikov A N, Kashaev A A
 
Kristallografiya 43 (1998) 1057-1060
Modulated structure of orthorhombic lazurite
Locality: Lyazhvardarinskii deposit, Pamir Mountains, central Asia
_database_code_amcsd 0014197
9.053 12.837 38.445 90 90 90 Pnaa
atom      x     y      z  occ Biso
NaM1   .248  .995  .0893  .30  4.8
CaM1   .248  .995  .0893  .10  4.8
CaM2   .274 .7132  .0031  .10  4.2
NaM2   .274 .7132  .0031  .10  4.2
Na1    .211  .491   .087  .40  2.8
Na2    .172  .503  .1020  .60  3.7
Na3    .231 -.008  .2527  .30  5.6
Na4   .1543 .4962  .2278  .70  2.2
Na5    .181  .005  .0696  .60  4.7
Na6    .202  .790 -.0021  .80  4.4
Na7   .2992 .1773  .1691       2.9
Na8    .276  .827  .1741 .085  6.5
K8     .276  .827  .1741 .085  6.5
Ca    .2124 .7539  .1668  .80  4.2
Si1   .4779 .3718  .2092        .7
Si2   .2033   .75    .25        .6
Si3   .2402 .2465  .0849       1.2
Si4   .4642 .6216  .1249       1.0
Si5   .4730 .8788  .0401        .9
Al1   .2297   .25    .25        .6
Al2   .4960 .1264  .0431        .9
Al3  -.0124 .1280  .1263        .7
Al4   .4556 .6222  .2087 .875  1.0
Si4   .4556 .6222  .2087 .125  1.0
Al5   .2210 .7532  .0825        .9
S1    .4624 .9685  .1629  .81  3.2
O19    .447  .031  .1929  .80  8.2
O20    .458  .033  .1346  .80  6.8
O21    .114  .571  .1597  .84  3.1
O22    .347  .890   .160  .79  5.8
S2     .024 -.005 -.0085  .20  3.3
O23    .071  .906   .009  .23  3.5
O24    .104  .103 -.0014  .26  2.1
O25    .359  .511   .040  .24  6.5
O26    .135  .027   .011  .20  4.7
S3     .023  .437  .1567  .10  6.9
S4     .347  .010   .143  .10  8.8
S5     .083  .974   .026  .10  4.1
S6     .034  .894  -.014  .13  4.5
O1    .4232 .4865  .2165       1.4
O2    .0287 .1429  .1709       1.2
O3    .0351 .3422  .0002       2.7
O4    .1064 .8294  .2303       2.8
O5    .2994 .6853  .2203       2.2
O6    .1151 .1479  .2339       1.5
O7    .3381 .2956  .2170       1.2
O8   -.0187 .8525  .1671       1.8
O9    .4562 .9920  .0489       1.9
O10   .1182 .6594  .0584       4.0
O11   .3389 .1927  .0557       2.1
O12   .4459 .5018  .1177       1.6
O13   .3396 .2965  .1168       1.7
O14   .3242 .8238  .0553       2.3
O15   .1443 .1592  .1013       1.0
O16   .1081 .8422  .1064       1.7
O17   .1398 .3402  .0683       2.5
O18   .3200 .6826  .1123       2.2
Cl     .085  .052   .026  .09  4.9
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Bismutocolumbite
Download hom/bismutocolumbite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E,
Brandstatter F, Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Malkhan field, Central Transbaikalia, Russia
_database_code_amcsd 0014918
5.668 11.725 4.971 90 90 90 Pnna
atom     x     y     z occ  Uiso
Bi     .25    .5 .7803     .0184
Nb   .3488   .25   .25 .79 .0080
Ta   .3488   .25   .25 .21 .0080
O1   .1392 .3051 .5046     .0131
O2   .4143 .0979 .4124     .0092
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Stibiocolumbite
Download hom/stibiocolumbite.pdf
Zubkova N V, Pushcharovsky D Y, Giester G, Smolin A S, Tillmanns E, Brandstatter F,
Hammer V, Peretyazhko I S, Sapozhnikov A N, Kashaev A A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 145-159
Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
structural relation to the other ABO4 minerals with
stibiotantalite (SbTaO4) structure
Locality: Mesa Grande, California, USA
_database_code_amcsd 0014919
5.557 4.932 11.808 90 90 90 Pna2_1
atom      x       y       z occ  Uiso
Sb   .52369  .04914  .24729     .0093
Nb   .88867 -.00667 -.00157 .33 .0048
Ta   .88867 -.00667 -.00157 .67 .0048
O1    .3462   .3313   .1576     .0084
O2    .8242   .8352   .8477     .0081
O3    .0845   .7119   .0563     .0106
O4    .1290   .2270  -.0483     .0117
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 8
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