American Mineralogist Crystal Structure Database

13 matching records for this search.

Lileyite
 
Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M,
Zadov A E, Van K V, Blass G, Schuller W, Ternes B
 
European Journal of Mineralogy 24 (2012) 181-188
Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group
mineral from the Eifel volcanic area, Germany
Locality:Lohley quarry, Rhineland-Palatinate, Germany
_database_code_amcsd 0018776
19.905 7.098 5.405 90 96.349 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)
Ba   .2827     0 .2623 .75  .01464 .00940 .00941      0 .00095       0
K    .2827     0 .2623 .15  .01464 .00940 .00941      0 .00095       0
Sr   .2827     0 .2623  .1  .01464 .00940 .00941      0 .00095       0
Na1      0     0     0       .0113  .0092  .0080      0  .0048       0
Na2      0 .2594    .5 .45   .0192  .0174  .0144      0  .0049       0
Ca2      0 .2594    .5  .2   .0192  .0174  .0144      0  .0049       0
Fe2      0 .2594    .5 .25   .0192  .0174  .0144      0  .0049       0
Mn2      0 .2594    .5  .1   .0192  .0174  .0144      0  .0049       0
Mg       0    .5     0  .8   .0113  .0016  .0151      0 -.0110       0
Fe       0    .5     0  .1   .0113  .0016  .0151      0 -.0110       0
Ti       0    .5     0  .1   .0113  .0016  .0151      0 -.0110       0
Ti   .1458     0 .7068 .95  .00979 .00761 .00630      0 .00066       0
Nb   .1458     0 .7068 .05  .00979 .00761 .00630      0 .00066       0
Si   .1386 .2819 .2041      .00874 .00533 .00624 .00007 .00052 -.00028
O1   .1713 .1889 .4657       .0164  .0082  .0074 -.0005  .0008   .0019
O2   .1715 .1876 .9714       .0168  .0078  .0084 -.0001  .0023  -.0025
O3   .1696    .5 .2164       .0137  .0049  .0107      0  .0006       0
O4   .0579 .2867 .1735       .0085  .0152  .0196  .0002 -.0004  -.0016
O5   .0604     0 .6671       .0118  .0343  .0134      0  .0004       0
F    .4443     0 .2848  .8   .0221  .0321  .0241      0  .0054       0
OF   .4443     0 .2848  .2   .0221  .0321  .0241      0  .0054       0
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Tashelgite
 
Rastsvetaeva R K, Aksenov S M, Verin I A
 
Crystallography Reports 55 (2010) 563-568
Crystal structure of complex natural aluminum magnesium calcium iron oxide
Locality: Tashelga River, Western Siberia, Russia
_database_code_amcsd 0018315
5.6973 17.1823 23.5718 90 90.0 90 Pc
atom    x      y     z Biso
Al1  .951  .1671 .0342  .78
Al2  .460  .1678 .0341  .65
Al3  .952  .2859 .6478  1.1
Al4  .457  .2862 .6494  .40
Al5  .698  .2470 .4475  .43
Al6  .447  .1088 .4790  .69
Al7  .951  .1116 .4801   .7
Al8  .450  .4428 .0864  .45
Al9  .955  .4427 .0855  .92
Al10 .217  .4717 .8825  .64
Al11 .704  .1940 .8320  1.6
Al12 .207  .4242 .6154  .86
Al13 .953  .3868 .4129  1.0
Al14 .455  .3898 .4144  1.0
Al15 .702  .3055 .0634  .54
Al16 .202  .0791 .2796  1.3
Al17 .199  .0303 .0070  1.1
Al18 .965  .2145 .2464  1.0
Al19 .446  .2146 .2451  1.7
Al20 .954  .0599 .8084  1.2
Al21 .946  .3274 .8576  1.4
Al22 .451  .0545 .8081  1.8
Al23 .446  .3330 .8592  1.3
Al24 .204  .4729 .4995   .7
Al25 .701  .1982 .5651   .7
Al26 .713  .2528 .9489  1.0
Al27 .707  .3031 .3289  1.6
Al28 .196  .0278 .3952  1.6
Al29 .703  .4504 .6819  1.1
Al30 .701  .5087 .3176   .4
Al31 .701  .0041 .0751   .9
Al32 .713  .0521 .2156  1.3
Al33 .188  .2153 .7664   .6
Al34 .206  .2789 .1272   .4
Al35 .192  .1233 .6050   .7
Al36 .203  .3744 .2862   .8
Fe1  .200  .2812 .5172 1.17
Fe2  .702  .0547 .9351 1.55
Fe3  .705  .1103 .3513 1.32
Fe4  .209  .3315 .9867 1.78
Mg1  .211  .1683 .9078  1.0
Mg2  .698  .3884 .5456   .3
Mg3  .200  .2190 .3744   .4
Mg4  .705  .4434 .9588   .3
Ca1  .197  .4165 .7514  2.4
Ca2  .209  .0841 .1430   .6
Ca3  .702  .3742 .2009  1.3
Ca4  .705  .1281 .6947  1.4
O1   .943  .3403 .1170   .2
O2   .673  .2015 .0839   .2
O3   .204  .4706 .1342   .6
O4   .212  .0874 .5364  2.0
O5   .460  .3375 .1134  2.1
O6   .728  .0870 .5323   .2
O7   .227  .2418 .1940  1.7
O8   .446  .3932 .6691   .9
O9   .214  .1979 .0838  1.1
O10  .955  .1807 .6175   .3
O11  .983  .3948 .6680  1.1
O12  .207  .2646 .6968  1.0
O13  .708  .4740 .1334  1.6
O14  .213  .3157 .5992   .6
O15  .477  .1766 .6170   .8
O16  .705  .1478 .9840  1.1
O17  .197  .3717 .4666  1.2
O18  .209  .1413 .9854   .9
O19  .720  .3610 .4673   .7
O20  .429  .0092 .4533  1.2
O21  .188  .1308 .4290  1.4
O22  .730   .089  .851  3.7
O23  .205  .4242 .0306  1.0
O24  .696  .4095 .0391  1.3
O25  .727  .3461 .9150   .8
O26  .432  .4502 .5546   .7
O27  .930   .219  .506  3.1
O28  .713  .2959 .5986  1.2
O29  .213  .3701 .9067  1.9
O30  .692  .1994 .2999  1.0
O31  .424  .0493 .3358  1.1
O32  .973  .4374 .8358  1.8
O33  .199  .0777 .8682  4.3
O34  .453  .4413 .8352   .5
O35  .960  .1626 .7829   .7
O36  .983  .0076 .4536   .6
O37  .225  .3048 .8124  1.3
O38  .503  .2164 .5043  2.2
O39  .923  .2699 .0041   .5
O40  .473  .1664 .7860  2.1
O41  .929  .2931 .3920   .9
O42  .445  .0682 .0564   .3
O43  .697  .4990 .2445  2.4
O44  .722  .0292 .7596   .5
O45   .20   .182  .298  9.0
O46  .728  .4145 .3545   .7
O47  .992  .0439 .3403  1.0
O48  .983  .4514 .5587  2.2
O49  .466  .2781 .0076   .7
O50  .717  .2981 .8106  1.0
O51  .714 1.0004 .1488  1.5
O52  .478  .2816 .3869   .4
O53  .966  .0542 .0607  1.4
O54  .929  .2269 .8917  1.2
O55  .215  .4209 .3590  1.1
O56  .728  .1369 .4331  1.0
O57  .433  .5026 .9384  1.2
O58  .957  .3212 .2762  1.5
O59  .996   .493 .4394  2.3
O60  .477   .224 .8899  4.5
O61  .171  .0275 .7635   .8
O62  .468  .3165 .2728  1.4
O63  .957  .1025 .2243  1.0
O64  .471  .1058 .2225  1.4
OH1  .213  .0485 .6547  1.0
OH2  .231  .4438 .2294  5.1
OH3  .727  .2625 .7011  1.0
OH4  .682  .2341 .1992  1.0
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Lahnsteinite
 
Rastsvetaeva R K, Aksenov S M, Chukanov N V, Verin I A
 
Crystallography Reports 57 (2012) 737-741
Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O
Locality: Friedrichssegen deposit, Rhineland-Palatinate, Germany
_database_code_amcsd 0020053
8.312 14.545 18.504 89.71 90.05 90.13 P1
atom      x     y      z Biso
Zn1   .0985 .3183  .5000  1.8
Zn2   .6049 .8218  .4849  1.4
Zn3   .4069 .1707  .5099  2.6
Zn4   .9109 .6736  .4917  1.9
Zn5   .4777 .3919  .5048  2.8
Zn6   .9756 .8965  .4825  2.0
Zn7   .6763 .0273  .5037  2.7
Zn8   .1765 .5274  .5161  1.3
Zn9   .0480 .1005  .4997  2.0
Zn10  .5429 .6007  .5086  1.8
Zn11  .7471 .2483  .4964  1.7
Zn12  .2435 .7467  .5053  1.7
Zn13  .5700 .3163  .0018  2.5
Zn14  .0716 .8182  .0012  1.9
Zn15  .0944 .4007  .0030  2.1
Zn16  .2300 .2586  .0271  2.3
Zn17  .4549 .9017 -.0003  1.5
Zn18  .7315 .7624  .0105   .7
Zn19  .5299 .1070 -.0094  1.5
Zn20  .0318 .6069 -.0002  1.0
Zn21  .1561 .0298  .0002  1.9
Zn22  .6567 .5308  .0057  1.1
Zn23  .8798 .1674 -.0089  1.4
Zn24  .3766 .6652 -.0021  2.2
Zn25  .3317 .9638  .4023  2.3
Zn26  .8328 .4638  .4205  2.1
Zn27  .8311 .4653  .5975  3.1
Zn28  .3260 .9653  .5950  2.6
Zn29  .8009 .9610  .0979  2.1
Zn30  .3007 .4629  .0968  1.5
Zn31  .8108 .9632  .8983  2.5
Zn32  .3080 .4618  .9095  1.0
S1     .827  .137   .347  2.5
S2     .328  .633   .361  2.8
S3     .319  .295   .669  2.7
S4     .823  .795   .653  2.6
S5     .804  .289   .153  1.7
S6     .308  .792   .152  2.0
S7     .319  .134   .859  3.7
S8     .822  .636   .846  1.7
O1     .918  .060   .316  2.0
O2     .810  .137   .430    1
O3     .435  .568   .322  1.4
O4     .319  .290   .585  1.2
O5     .327  .633   .439    1
O6     .820  .797   .570  1.3
O7     .496  .298   .679  1.0
O8    -.007  .810   .674  1.2
O9     .381  .725   .340    3
O10    .229  .376   .686  2.3
O11    .716  .863   .682  1.4
O12    .902  .231   .324    3
O13    .647  .120   .334    3
O14    .163  .625   .329  2.4
O15    .699  .363   .186   .3
O16    .201  .864   .177  1.8
O17    .964  .312   .185   .3
O18    .250  .213   .674  2.3
O19    .300  .790   .070  4.0
O20    .465  .798   .175  1.5
O21    .762  .703   .677    3
O22    .818  .283   .070  2.6
O23    .734  .201   .178   .3
O24    .217  .699   .163    2
O25    .804  .635   .925  1.3
O26    .300  .140   .940   .3
O27    .340  .237   .850  2.5
O28    .431  .072   .854    3
O29    .144  .133   .849  2.8
O30    .863  .711   .807  3.5
O31    .657  .618   .806  2.9
O32    .917  .568   .807  3.0
OH1    .117  .993   .436  2.6
OH2    .614  .488   .439  2.3
OH3    .490  .070   .438   .1
OH4    .981  .562   .435   .2
OH5    .167  .188   .451   .9
OH6    .621  .169   .546  1.1
OH7    .679  .700   .456  1.2
OH8    .371  .843   .444   .5
OH9    .898  .346   .441  1.3
OH10   .252  .418   .443   .3
OH11   .115  .655   .554   .7
OH12   .745  .910   .453   .3
OH13   .039  .773   .446   .9
OH14   .536  .269   .457    2
OH15   .952  .230   .575  3.3
OH16   .477  .719   .553    2
OH17   .685  .356   .581  1.4
OH18   .166  .864   .574   .2
OH19   .899  .013   .553   .2
OH20   .565  .986   .928  1.5
OH21   .396  .520   .555  1.2
OH22   .080  .491   .939    2
OH23   .975  .045   .934  1.1
OH24   .091  .136   .055   .7
OH25   .261  .078   .555  1.4
OH26   .466  .549   .936  1.1
OH27   .758  .587   .570  1.3
OH28   .599  .643   .061  1.2
OH29   .033  .434   .564   .6
OH30   .542  .935   .577  1.5
OH31   .678  .212   .947   .4
OH32   .159  .704   .956   .6
OH33   .721  .399   .967    2
OH34   .223  .913   .957    2
OH35   .231  .585   .062   .7
OH36   .754  .092   .063  1.7
OH37   .433  .230   .065    1
OH38   .377 -.001   .048    2
OH39   .939  .730   .051  1.0
OH40   .871  .822   .923  2.6
OH41   .378  .329   .942    3
OH42   .874  .502   .054    2
OH43   .519  .417   .061    2
OH44   .515  .775  -.065   .8
OH45   .656  .884   .041  1.1
OH46   .027  .279   .956   .4
OH47   .168  .373   .054  1.2
OH48   .039  .936   .071  1.0
Wat1   .306  .460   .208  2.5
Wat2   .767  .985   .207    4
Wat3   .187  .853   .796  1.5
Wat4   .048  .293   .305    3
Wat5   .044  .567   .696  5.7
Wat6  -.004  .784   .279  2.9
Wat7   .939  .097   .696    2
Wat8   .693  .347   .798    3
Wat9   .107  .142   .217  1.6
Wat10  .643  .646   .210   .9
Wat11  .150  .420   .310  2.5
Wat12  .700  .820   .310  2.7
Wat13  .011 -.751  -.196  2.6
Wat14 -.514 -.282  -.229  2.5
Wat15  .376  .964   .288  2.0
Wat16  .848  .458   .308    2
Wat17  .339  .966   .705  2.6
Wat18  .798  .482   .719  3.0
Wat19  .322  .469  -.216  2.4
Wat20  .795  .960  -.218  1.6
Wat21  .124  .577   .692  2.9
Wat22  .590  .101   .699  3.9
Wat23  .398  .103   .204  3.9
Wat24  .941  .658   .205  4.4
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Mariinskite
 
Yamnova N A, Aksenov S M, Pautov L A, Popov M P, Erokhin Y V
 
Crystallography Reports 59 (2014) 30-35
Specific features of cation distribution in the crystal structure
of mariinskite BeCr2O4 (derivative of olivine-type structure)
Note: Sample 1
Locality: Mariinskoe deposit (Middle Urals, Russia)
_database_code_amcsd 0020027
4.487 5.629 9.732 90 90 90 *P2_12_12_1
.25 .25 0
atom    x    y    z occ Uiso
AlM1 .255 .509 .499 .49 .007
CrM1 .255 .509 .499 .28 .007
CrM2 .250 .740 .242 .67 .011
AlM2 .250 .740 .242 .15 .011
CrM3 .746 .492 .501 .31 .021
CrM4 .243 .233 .248 .16 .029
Be1  .833 .738 .409 .65 .031
Be2  .150 .749 .405 .25  .02
O1   .488 .756 .419     .025
O2   .005 .754 .073     .017
O3   .500 .491 .167     .017
O4   .506 .498 .658     .007
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Mariinskite
 
Yamnova N A, Aksenov S M, Pautov L A, Popov M P, Erokhin Y V
 
Crystallography Reports 59 (2014) 30-35
Specific features of cation distribution in the crystal structure
of mariinskite BeCr2O4 (derivative of olivine-type structure)
Note: Sample 2
Locality: Mariinskoe deposit (Middle Urals, Russia)
_database_code_amcsd 0020028
4.478 5.620 9.746 90 90 90  *P2_12_12_1
.25 .25 0
atom    x    y    z occ Uiso
AlM1 .258 .502 .504 .55 .001
CrM1 .258 .502 .504 .23 .001
CrM2 .254 .741 .241 .63 .017
AlM2 .254 .741 .241 .19 .017
CrM3 .748 .500 .483  .3 .003
CrM4 .241 .193 .241 .16 .075
Be1  .833 .738 .409  .7 .038
Be2   .15 .749 .405  .2 .038
O1   .481 .750 .423     .029
O2   .015 .733 .068     .018
O3   .497 .486 .160     .008
O4   .503 .501 .654     .019
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Schullerite
 
Rastsvetaeva R K, Aksenov S, Chukanov N
 
Doklady Chemistry 437 (2011) 90-94
Crystal structure of schullerite,
a new mineral of the heterophyllosilicate family
Locality: the Eifel volcanic area, Germany
_database_code_amcsd 0019755
5.4027 7.0656 10.2178 99.816 99.624 90.085 P1
atom       x     y     z occ Biso
BaA1   .9902 .5840 .6000  .6  .87
SrA1   .9902 .5840 .6000  .3  .87
KA1    .9902 .5840 .6000  .1  .87
BaA2   .5334 .1159 .7333     1.21
TiM1   .9445 .0496 .4575  .7  .88
NbM1   .9445 .0496 .4575  .2  .88
Fe3+M1 .9445 .0496 .4575  .1  .88
TiM2   .5776 .6496 .8758  .6  .56
AlM2   .5776 .6496 .8758  .2  .56
MgM2   .5776 .6496 .8758  .2  .56
NaM3   .5191 .9742 .1617      .97
MnM4   .0185 .7230 .1652  .5 1.15
CaM4   .0185 .7230 .1652  .4 1.15
NaM4   .0185 .7230 .1652  .1 1.15
Fe3+M5 .5400 .4658 .1622 .55 1.50
MgM5   .5400 .4658 .1622 .45 1.50
Fe2+M6 .0146 .2262 .1673  .6 1.12
MgM6   .0146 .2262 .1673 .25 1.12
Fe3+M6 .0146 .2262 .1673 .15 1.12
Si1    .4383 .3189 .4426      .74
Si2    .0840 .3777 .8935      .92
Si3    .0818 .9337 .8947      .80
Si4    .4427 .7687 .4402      .89
O1     .7101 .8723 .5103      .80
O2     .8171 .4513 .8228      .96
O3      .814  .826 .8238      1.7
O4      .708 .2511 .5098      1.4
O5     .3106 .8282 .8260      .78
O6      .216  .871 .5051      1.8
O7     .4587 .5568 .4916     1.14
O8      .065 .1422 .8359      1.6
O9     .3096 .4482 .8208     1.04
O10     .215 .2505 .5106     1.34
O11     .145  .438 .0522      1.8
O12     .632  .685 .0503      1.8
O13     .396  .727 .2796      2.2
O14     .132  .950 .0548      1.9
O15     .381  .273 .2792      2.3
O16     .885  .020 .2803      2.4
O17     .878  .480 .2805     2.02
F       .654  .212 .0558      2.8
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Gunterblassite
 
Rastvetaeva R K, Aksenov S M, Chukanov N V
 
Doklady Chemistry 442 (2012) 57-62
Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer
Locality: Rother Kopf mountain, Eifel volcanic field, Germany
Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported
_database_code_amcsd 0018694
6.538 6.975 37.26 90 90 90 Pnm2_1
atom    x    y      z occ Biso
K1   .072    0  .2279 .35  2.3
Ca1  .072    0  .2279 .25  2.3
K2   .101    0  .0469  .5  1.2
Ba2  .101    0  .0469  .3  1.2
K3   .229   .5  .4225 .35  3.2
Ca3  .229   .5  .4225 .25  3.2
Fe   .246   .5  .8685  .5  2.5
Ca   .246   .5  .8685  .2  2.5
Mg   .246   .5  .8685 .15  2.5
Na   .246   .5  .8685 .15  2.5
Si1  .384    0  .8211      1.6
Si2  .199 .218  .3163      1.7
Si3  .013    0  .7708      2.6
Si4  .429    0  .6388      1.1
Si5  .055    0  .6904      1.0
Si6  .207 .221  .1400      2.2
Si7  .028    0  .5774      1.2
Si8  .047    0  .4915      1.2
Si9  .210 .233  .9462      2.0
Si10 .437    0  .4463      1.2
O1   .453 .316   .142      1.7
O2   .240    0  .6060      5.4
O3   .090 .323  .1777      1.9
O4   .055    0  .7294      3.1
O5   .052 .310  .1050      2.2
O6   .225    0   .144      1.7
O7   .438 .311  .3228      2.7
O8   .260    0  .7830      1.6
O9   .128 .316  .9838      3.1
O10  .098 .289  .2823      1.3
O11  .071    0  .5337      3.8
O12  .263    0  .6696      4.2
O13  .255    0  .4762      1.7
O14  .181    0  .3231      3.0
O15  .073 .294 -.0904      4.3
O16  .450 .302 -.0593      1.7
O17  .245    0 -.0466      1.4
OH1  .251    0  .8570      2.0
OH2  .058 .258  .3550      3.4
OH3  .247    0  .4126      3.7
Wat1 .245   .5  .6207  .8  1.6
Wat2 .299   .5   .798  .8  1.7
Wat3  .21   .5   .495  .8  1.4
Wat4 .351   .5   .697  .6  4.2
Wat5 .448 .259  .0450  .8  2.1
Wat6 .446 .261  .2281  .6  2.8
Wat7 .443 .198  .3779  .6  5.7
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Almeidaite
 
Kastsvetaeva R K, Aksenov S M, Chukanov N V, Menezes L A D
 
Doklady Chemistry 455 (2014) 53-57
Crystal structure of almeidaite, a new mineral of the crichtonite group
Locality: Novo Horizonte, Bahia, Brazil
_database_code_amcsd 0020510
10.4359 10.4359 21.0471 90 90 120 R-3
atom      x      y     z   occ  Uiso
Pb1       0      0     0    .6 .0495
Sr1       0      0     0    .1 .0495
Mn1    -2/3   -1/3   1/6    .6 .0100
Y1     -2/3   -1/3   1/6    .4 .0100
Zn1       0      0 .3093   .75 .0098
Fe1  -.1457  .0379 .1655 .7333 .0106
Ti1  -.1457  .0379 .1655 .2333 .0106
Mn2  -.1457  .0379 .1655 .0333 .0106
Ti2  -.4229 -.0137 .0656       .0098
Ti3   .0882  .3379 .0589       .0109
Fe2       0      0 .3681   .25  .021
O1   -.3075 -.0755 .2264       .0078
O2   -.3000 -.0648 .0064       .0111
O3   -.2582  .1052 .1164       .0087
O4    .0459  .1735 .1098       .0088
O5   -.4785 -.2009 .1029       .0120
O6    .0517  .1974 .3361       .0098
O7        0      0 .2150   .59 .0091
OH7       0      0 .2150   .41 .0091
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Ferroindialite
 
Chukanov N V, Aksenov S M, Pekov I V, Ternes B, Schuller W, Belakovskiy D I,
Van K V, Blass G
 
Geology of Ore Deposits 56 (2014) 637-643
Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel
volcanic region, Germany
Locality: Caspar basalt quarry, Eifel volcanic district, Germany
_database_code_amcsd 0020462
9.8759 9.8759 9.3102 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)
K1        0     0    .5    .06  .023   .020   .020    .03   .010      0      0
Na1       0     0    .5    .03  .023   .020   .020    .03   .010      0      0
Fe2+1   2/3   1/3   .25   .575 .0084  .0088  .0088  .0077  .0044      0      0
Mg1     2/3   1/3   .25   .425 .0084  .0088  .0088  .0077  .0044      0      0
Al1      .5     0   1/3    .46 .0091  .0101  .0088  .0081  .0044      0      0
Fe3+1    .5     0   1/3    .04 .0091  .0101  .0088  .0081  .0044      0      0
Si1   .3703 .1040     0 .82333 .0097  .0149  .0094  .0070  .0078      0      0
Al2   .3703 .1040     0 .17667 .0097  .0149  .0094  .0070  .0078      0      0
O1    .3124 .2320     0        .0238   .029   .034  .0194   .024      0      0
O2    .4821 .1326 .1452        .0139  .0180  .0158  .0109  .0108 -.0063 -.0036
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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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Christofschaferite-(Ce)
 
Chukanov N V, Aksenov S M, Rastsvetaeva R K, Belakovskiy D I, Gottlicher J,
Britvin S N, Mockel S
 
New Data on Minerals. Moscow 47 (2012) 31-40
Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8,
a new chevkinite-group mineral from the Eifel area, Germany
Locality: near Eifel, Germany
_database_code_amcsd 0020048
13.3722 5.7434 11.0862 90 100.580 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)
CeA1   .39299   -.25 .26638 .425 .00593  .0075  .0031  .0072      0  .0013      0
LaA1   .39299   -.25 .26638  .37 .00593  .0075  .0031  .0072      0  .0013      0
NdA1   .39299   -.25 .26638 .042 .00593  .0075  .0031  .0072      0  .0013      0
PrA1   .39299   -.25 .26638  .01 .00593  .0075  .0031  .0072      0  .0013      0
CaA1   .39299   -.25 .26638 .142 .00593  .0075  .0031  .0072      0  .0013      0
CeA2   .81886   -.25 .73890 .425 .00448  .0046  .0039  .0051      0  .0012      0
LaA2   .81886   -.25 .73890  .37 .00448  .0046  .0039  .0051      0  .0012      0
NdA2   .81886   -.25 .73890 .042 .00448  .0046  .0039  .0051      0  .0012      0
PrA2   .81886   -.25 .73890  .01 .00448  .0046  .0039  .0051      0  .0012      0
CaA2   .81886   -.25 .73890 .142 .00448  .0046  .0039  .0051      0  .0012      0
CeA3   .10733   -.25 .73407 .425  .0193  .0096  .0404  .0079      0  .0014      0
LaA3   .10733   -.25 .73407  .37  .0193  .0096  .0404  .0079      0  .0014      0
NdA3   .10733   -.25 .73407 .042  .0193  .0096  .0404  .0079      0  .0014      0
PrA3   .10733   -.25 .73407  .01  .0193  .0096  .0404  .0079      0  .0014      0
CaA3   .10733   -.25 .73407 .142  .0193  .0096  .0404  .0079      0  .0014      0
CeA4   .68134   -.25 .26116 .425  .0364  .0042  .1008  .0045      0  .0014      0
LaA4   .68134   -.25 .26116  .37  .0364  .0042  .1008  .0045      0  .0014      0
NdA4   .68134   -.25 .26116 .042  .0364  .0042  .1008  .0045      0  .0014      0
PrA4   .68134   -.25 .26116  .01  .0364  .0042  .1008  .0045      0  .0014      0
CaA4   .68134   -.25 .26116 .142  .0364  .0042  .1008  .0045      0  .0014      0
Mn2+M1 .24991   -.25 .49998  .76  .0075  .0090  .0081  .0048      0  .0002      0
Fe2+M1 .24991   -.25 .49998  .26  .0075  .0090  .0081  .0048      0  .0002      0
TiM2        0      0      0 .895  .0072  .0058  .0124  .0032 -.0066  .0002  .0005
Fe2+M2      0      0      0  .07  .0072  .0058  .0124  .0032 -.0066  .0002  .0005
NbM2        0      0      0  .03  .0072  .0058  .0124  .0032 -.0066  .0002  .0005
MgM2        0      0      0 .005  .0072  .0058  .0124  .0032 -.0066  .0002  .0005
TiM2'      .5      0      0 .895  .0102  .0068  .0198  .0037 -.0095  .0005 -.0009
Fe2+M2'    .5      0      0  .07  .0102  .0068  .0198  .0037 -.0095  .0005 -.0009
NbM2'      .5      0      0  .03  .0102  .0068  .0198  .0037 -.0095  .0005 -.0009
MgM2'      .5      0      0 .005  .0102  .0068  .0198  .0037 -.0095  .0005 -.0009
TiM3   .24994   -.25 .00033 .895  .0094  .0077  .0115  .0082      0  .0001      0
Fe2+M3 .24994   -.25 .00033  .07  .0094  .0077  .0115  .0082      0  .0001      0
NbM3   .24994   -.25 .00033  .03  .0094  .0077  .0115  .0082      0  .0001      0
MgM3   .24994   -.25 .00033 .005  .0094  .0077  .0115  .0082      0  .0001      0
Fe3+M4 .74998   -.25 .00015  .48  .0102  .0086  .0160  .0062      0  .0020      0
Fe2+M4 .74998   -.25 .00015  .25  .0102  .0086  .0160  .0062      0  .0020      0
TiM4   .74998   -.25 .00015  .25  .0102  .0086  .0160  .0062      0  .0020      0
AlM4   .74998   -.25 .00015  .02  .0102  .0086  .0160  .0062      0  .0020      0
Si1     .0504   -.25  .2672       .0046  .0033  .0062  .0038      0 -.0001      0
Si2     .4494   -.25  .7326       .0058  .0052  .0077  .0042      0 -.0002      0
Si3     .8949   -.25  .4537       .0055  .0066  .0070  .0031      0  .0013      0
Si4     .6050   -.25  .5465       .0059  .0072  .0070  .0033      0  .0006      0
O1      .8968   -.25  .9770       .0073   .006   .009   .008      0   .004      0
O2      .7725 -.0035  .1255       .0133   .008   .024   .009   .001   .001  -.004
O3      .5129   -.25  .6231       .0262   .031   .034   .020      0   .022      0
O4      .9368   -.25  .5974       .0062   .006   .008   .003      0  -.001      0
O5      .6052   -.25  .0233        .016   .005   .034   .009      0   .002      0
O6      .6757 -.0250  .5952       .0136   .025   .008   .007   .008   .001  -.002
O7      .9848   -.25  .3749       .0137   .017   .013   .016      0   .015      0
O8      .5211  .0126  .1852       .0189   .021   .030   .005  -.022   .001  -.001
O9      .4023   -.25  .0100       .0066   .004   .003   .012      0  -.001      0
O10     .0200 -.0152  .1850       .0119   .017   .013   .005  -.011   .002   .001
O11     .7273 -.0047  .8741       .0104   .007   .017   .007   .004   .001   .002
O12     .5632   -.25  .4023       .0152   .013   .025   .007      0   .001      0
O13     .3327   -.25  .6778       .0046   .003   .003   .007      0  -.003      0
O14     .0989   -.25 -.0099       .0093   .007   .007   .014      0   .002      0
O15     .1689   -.25  .3205       .0096   .012   .009   .006      0  -.003      0
O16     .1739  .0261  .5960       .0284   .029   .045   .010   .028  -.001   .003
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Perrierite-(La)
 
Chukanov N V, Blass G, Pekov I V, Belakovskiy D I, Van K V,
Rastsvetaeva R K, Aksenov S M
 
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 140 (2011) 34-44
Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral
species from volcanic region Eifel, Germany
Locality: Dellen pumice quarry, Eifel Mountains, Rhineland-Palatinate, Germany
_database_code_amcsd 0019036
13.668 5.6601 11.743 90 113.64 90 P2_1/a
atom      x      y     z occ Biso
LaA   .2378  .0061 .2664  .7 1.06
CaA   .2378  .0061 .2664  .3 1.06
LaB   .0499  .0160 .7455     1.26
FeM1      0     .5    .5  .5  .81
MnM1      0     .5    .5  .5  .81
TiM2 -.0019  .2405 .0043      .86
TiM3  .2731 -.0150 .0025 .25  .56
FeM3  .2731 -.0150 .0025 .25  .56
AlM3  .2731 -.0150 .0025 .25  .56
NbM3  .2731 -.0150 .0025 .25  .56
Si1   .4117  .0054 .7347      .69
Si2   .1636 -.0168 .5476      .48
O1    .0757 -.2620 .1836       .8
O2    .0714  .2555 .1843      1.3
O3    .2889  .2529 .1248      1.2
O4    .2887 -.2497 .1224       .7
O5    .3776 -.2602 .4074      1.3
O6    .3865  .2806 .4053      1.6
O7    .0940 -.0053 .9882      1.1
O8    .4090  .0164 .0095       .7
O9    .4959  .0257 .6727      1.5
O10   .2907 -.0266 .6331      1.7
O11   .1365 -.0127 .4024      1.0
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Osumilite-(Mg)
Download hom/osumilitemg.pdf
Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M, Belakovskiy D I,
Van K V, Schuller V, Ternes B
 
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 141 (2012) 27-36
Osumilite-(Mg): Validation as a mineral species and new data
Locality: Bellerberg, Eifel volcanic area, Germany
_database_code_amcsd 0020038
10.0959 10.0959 14.3282 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)
K        0     0   .25 .72  .0299  .0299  .0352  .0150      0      0
Na       0     0   .25 .03  .0299  .0299  .0352  .0150      0      0
Ca       0     0   .25 .01  .0299  .0299  .0352  .0150      0      0
Mg     1/3   2/3   .25 .98  .0048  .0048  .0072  .0024      0      0
Mn     1/3   2/3   .25 .02  .0048  .0048  .0072  .0024      0      0
Al      .5     0   .25 .85  .0185  .0083  .0116  .0042      0      0
Fe3+    .5     0   .25 .15  .0185  .0083  .0116  .0042      0      0
Si   .1059 .3533 .1077 .86  .0082  .0104  .0077  .0050 -.0001 -.0014
Al   .1059 .3533 .1077 .14  .0082  .0104  .0077  .0050 -.0001 -.0014
O1   .1226 .4073     0      .0267  .0209  .0099  .0113      0      0
O2   .2173 .2850 .1309      .0248  .0317  .0257  .0226  .0005 -.0019
O3   .1407 .4936 .1788      .0152  .0158  .0133  .0090 -.0030 -.0049
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Total number of retrieved datasets: 13
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