American Mineralogist Crystal Structure Database

18 matching records for this search.

Chrysoberyl
Download hom/chrysoberyl.pdf
Farrell E F, Fang J H, Newnham R E
Download am/vol48/AM48_804.pdf
American Mineralogist 48 (1963) 804-810
Refinement of the chrysoberyl structure
_database_code_amcsd 0000124
9.404 5.476 4.427 90 90 90 Pnma
atom      x      y       z Biso
Al1       0      0       0 .073
Al2  .27319    .25 -.00595 .103
Be   .09294    .25  .43347 .151
O1   .09051    .25  .79016 .061
O2   .43343    .25  .24097 .226
O3   .16318 .01718  .25850 .140
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Tamarugite
Download hom/tamarugite.pdf
Robinson P D, Fang J H
Download am/vol54/AM54_19.pdf
American Mineralogist 54 (1969) 19-30
Crystal structures and mineral chemistry of double-salt hydrates: I. Direct
determination of the crystal structure of tamarugite
_database_code_amcsd 0000186
7.353 25.225 6.097 90 95.2 90 P2_1/a
atom     x     y     z Biso
Na   .6169 .0525 .1950  1.8
Al   .1424 .1454 .6785   .9
S1   .6427 .1830 .2097  1.2
S2   .7076 .0204 .7515  1.2
O1   .5594 .2214 .0424  1.9
O2   .8171 .1621 .1392  1.9
O3   .5159 .1391 .2373  2.3
O4   .6811 .2112 .4229  1.8
O5   .2929 .0400 .2612  2.0
O6   .7571 .0421 .5380  2.1
O7   .5208 .0381 .7938  1.5
O8   .8391 .0384 .9326  1.5
Wat1 .1232 .1870 .4182  1.5
Wat2 .0611 .0881 .4987  1.8
Wat3 .3837 .1260 .6365  1.5
Wat4 .9020 .1636 .7299  1.4
Wat5 .2358 .2020 .8446  1.9
Wat6 .1389 .1000 .9307  2.4
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Loweite
Download hom/loweite.pdf
Fang J H, Robinson P D
Download am/vol55/AM55_378.pdf
American Mineralogist 55 (1970) 378-386
Crystal structures and mineral chemistry of double-salt hydrates: II. The
crystal structure of loeweite
_database_code_amcsd 0000200
11.769 11.769 11.769 106.5 106.5 106.5 R-3
atom     x     y     z occ Biso
Na1  .9103 .5064 .3569     1.54
Na2  .3121 .4552 .1928     1.79
Mg1  .6890 .2068 .1214      .55
Mg2     .5    .5    .5      .49
S1   .8328 .4537 .0535      .49
S2   .5647 .4112 .2335      .49
S3   .1195 .1195 .1195  .5 1.04
O1   .6210 .0255 .1152     1.28
O2   .7861 .3817 .1269     1.51
O3   .8511 .0657 .4220     1.61
O4   .5255 .0269 .2721     2.27
O5   .6942 .5151 .3116     1.08
O6   .4874 .4095 .3135      .90
O7   .4977 .4319 .1189      .96
O8   .5734 .2841 .1942      .89
O9       0     0     0     3.75
Wat1 .8120 .2764 .3161     1.22
Wat2 .8350 .1634 .0701     2.57
Wat3 .1620 .2367 .0762 .5  6.96
O    .1620 .2367 .0762 .5  6.96
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Coquimbite
Download hom/coquimbite.pdf
Fang J H, Robinson P D
Download am/vol55/AM55_1534.pdf
American Mineralogist 55 (1970) 1534-1540
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The
crystal structure of coquimbite
_database_code_amcsd 0000211
10.922 10.922 17.084 90 90 120 P-31c
atom     x     y     z occ Biso
Al       0     0     0  .9 1.07
Fe       0     0     0  .1 1.07
Fe1  .3333 .6667   .25     1.71
Fe2  .6667 .3333 .0025     2.19
S    .2444 .4146 .1232     0.49
O1   .3187 .3451 .0909     1.42
O2   .1081 .3106 .1548     1.03
O3   .2197 .4946 .0597     1.21
O4   .3349 .5158 .1838      .74
Wat1 .1645 .0698 .0622     1.18
Wat2 .4485 .1153 .2101     1.71
Wat3 .5720 .1616 .0720     1.70
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Epididymite
Download hom/epididymite.pdf
Robinson P D, Fang J H
Download am/vol55/AM55_1541.pdf
American Mineralogist 55 (1970) 1541-1549
The crystal structure of epididymite
Locality: Narsarsuk, Greenland
_database_code_amcsd 0000212
12.74 13.63 7.33 90 90 90 Pnma
atom     x     y     z Biso
Na   .1030 .0698 .5014  2.2
Be   .4951 .0002 .3433   .5
Si1  .1589 .1380 .0155   .3
Si2  .3429 .1366 .7314   .3
Si3  .3317 .1378 .3054   .4
O1   .1207   .25 .0005  1.1
O2   .2174 .1234 .2098   .9
O3   .0603 .0664 .0067   .7
O4   .2373 .1142 .8498  1.0
O5   .4345 .0645 .7907   .8
O6   .3784   .25 .7656   .8
O7   .3048 .1239 .5204   .7
O8   .3709   .25 .2674   .8
O9   .4151 .0629 .2256   .9
OH10 .0577   .25 .4890  2.3
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Aenigmatite
Download hom/aenigmatite.pdf
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
Download am/vol56/AM56_427.pdf
American Mineralogist 56 (1971) 427-446
The crystal structure of aenigmatite
sample CM
_database_code_amcsd 0000224
10.406 10.813 8.926 104.93 96.87 125.32 P-1
atom     x     y     z Biso
Fe1      0     0    .5  .89
Fe2      0    .5     0  .85
Fe3  .3193 .8513 .1779  .91
Fe4  .7670 .8203 .1517  .68
Fe5  .0952 .9382 .0522  .98
Fe6  .5962 .9435 .0662  .82
Ti1  .9970 .7428 .2565  .62
Na1  .2092 .6289 .3893 1.33
Na2  .6627 .6127 .3733 1.42
Si1  .4798 .2333 .3311  .82
Si2  .9879 .2363 .3456  .68
Si3  .7925 .3435 .2424  .84
Si4  .2782 .3364 .2257  .86
Si5  .6478 .9448 .4450  .76
Si6  .3525 .5573 .0501  .78
O1   .3600 .0684 .1630 1.02
O2   .8640 .0688 .1800 1.41
O3   .5488 .9535 .2957 1.20
O4   .0087 .9233 .2648 1.19
O5   .2364 .8751 .3951 1.19
O6   .7523 .8821 .3912 1.10
O7   .4967 .1947 .4965 1.00
O8   .9603 .7756 .4843  .98
O9   .9069 .3300 .3717 1.44
O10  .4091 .3408 .3539  .75
O11  .6710 .1773 .0749 1.44
O12  .1565 .1694 .0646 1.02
O13  .5197 .7094 .0365 1.04
O14  .0671 .7334 .0776  .78
O15  .2453 .6098 .1152 1.51
O16  .7572 .6022 .1230 1.39
O17  .4040 .4995 .1882 1.01
O18  .9370 .5164 .2269 1.15
O19  .1708 .3661 .3271  .91
O20  .6749 .3640 .3422  .93
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Aenigmatite
Download hom/aenigmatite.pdf
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
Download am/vol56/AM56_427.pdf
American Mineralogist 56 (1971) 427-446
The crystal structure of aenigmatite
sample FRO
_database_code_amcsd 0000225
10.406 10.813 8.926 104.93 96.87 125.32 P-1
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0     0    .5 .89       .0018  .0029  .0040  .0013  .0013  .0017
Ti1      0     0    .5 .11       .0018  .0029  .0040  .0013  .0013  .0017
Fe2      0    .5     0 .87       .0017  .0024  .0044  .0011  .0017  .0018
Ti2      0    .5     0 .13       .0017  .0024  .0044  .0011  .0017  .0018
Fe3  .3214 .8528 .1779 .95       .0024  .0030  .0047  .0013  .0013  .0017
Ti3  .3214 .8528 .1779 .05       .0024  .0030  .0047  .0013  .0013  .0017
Fe4  .7655 .8199 .1511 .76       .0029  .0032  .0047  .0017  .0018  .0020
Ti4  .7655 .8199 .1511 .24       .0029  .0032  .0047  .0017  .0018  .0020
Fe5  .0961 .9392 .0530 .90       .0035  .0034  .0053  .0019  .0021  .0028
Ti5  .0961 .9392 .0530 .10       .0035  .0034  .0053  .0019  .0021  .0028
Fe6  .5959 .9432 .0661           .0030  .0034  .0044  .0017  .0019  .0022
Ti7  .9970 .7434 .2577 .59       .0022  .0024  .0038  .0012  .0018  .0018
Fe7  .9970 .7434 .2577 .41       .0022  .0024  .0038  .0012  .0018  .0018
Na1  .2089 .6298 .3893           .0022  .0025  .0036  .0022  .0017  .0014
Na2  .6607 .6117 .3741           .0015  .0033  .0060  .0007  .0012  .0024
Si1  .4768 .2345 .3313           .0010  .0011  .0021  .0003  .0008  .0007
Si2  .9864 .2363 .3466           .0008  .0007  .0031  .0004  .0011  .0011
Si3  .7921 .3435 .2416 .90       .0011  .0010  .0023  .0004  .0008  .0010
Fe3  .7921 .3435 .2416 .10       .0011  .0010  .0023  .0004  .0008  .0010
Si4  .2772 .3382 .2252 .95       .0017  .0018  .0031  .0008  .0009  .0012
Fe4  .2772 .3382 .2252 .05       .0017  .0018  .0031  .0008  .0009  .0012
Si5  .6487 .9448 .4447 .94       .0019  .0024  .0024  .0016  .0015  .0015
Fe5  .6487 .9448 .4447 .06       .0019  .0024  .0024  .0016  .0015  .0015
Si6  .3528 .5588 .0501 .95       .0023  .0014  .0032  .0013  .0019  .0015
Fe6  .3528 .5588 .0501 .05       .0023  .0014  .0032  .0013  .0019  .0015
O1   .3542 .0641 .1621      .64
O2   .8611 .0666 .1807      .43
O3   .5540 .9534 .2958      .75
O4   .0151 .9258 .2670      .83
O5   .2353 .8747 .3933      .65
O6   .7541 .8843 .3902      .63
O7   .4929 .1948 .4973      .75
O8   .9575 .7755 .4871      .58
O9   .8996 .3230 .3735      .76
O10  .4034 .3364 .3529      .93
O11  .6653 .1744 .0709      .57
O12  .1570 .1688 .0612      .57
O13  .5233 .7108 .0393      .56
O14  .0673 .7340 .0757      .37
O15  .2417 .6060 .1120      .89
O16  .7510 .6018 .1275      .64
O17  .4002 .5015 .1883      .52
O18  .9363 .5147 .2264     1.09
O19  .1648 .3649 .3183      .62
O20  .6731 .3626 .3366      .99
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Paracoquimbite
Download hom/paracoquimbite.pdf
Robinson P D, Fang J H
Download am/vol56/AM56_1567.pdf
American Mineralogist 56 (1971) 1567-1572
Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The
crystal structure of paracoquimbite
_database_code_amcsd 0000261
10.926 10.926 51.300 90 90 120 R-3
atom    x     y     z Biso
Fe1     0     0     0  3.4
Fe2     0     0    .5  3.6
Fe3     0     0 .2507  3.2
Fe4     0     0 .1677  3.2
Fe5     0     0 .6652  3.5
S1   .249 .4169 .8756  1.8
S2   .584 .7554 .9593  1.8
O1   .325  .349 .8650  2.4
O2   .655  .682 .9697  2.7
O3   .114  .310 .8865  2.5
O4   .685  .892 .9486  2.4
O5   .223  .493 .8545  2.1
O6   .504  .778 .9807  2.1
O7   .339  .520 .8960  1.7
O8   .481  .662 .9388  2.0
OH9  .171  .073 .8553  2.5
OH10 .929  .826 .9787  2.9
OH11 .446  .114 .9016  2.8
OH12 .886  .550 .9290  2.7
OH13 .596  .434 .8552  2.7
OH14 .575  .410 .9755  2.9
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Mendozite
Download hom/mendozite.pdf
Fang J H, Robinson P D
Download am/vol57/AM57_1081.pdf
American Mineralogist 57 (1972) 1081-1088
Crystal structures and mineral chemistry of double-salt hydrates: II. The
crystal structure of mendozite, NaAl(SO4)2.11H2O
_database_code_amcsd 0000289
21.75 9.11 8.30 90 92.47 90 C2/c
atom     x     y     z Biso
Na       0     0     0 2.05
Al     .25   .25     0 1.00
S    .1314 .2532 .5295 1.22
O1   .1461 .3955 .6107 1.82
O2   .0747 .1926 .5903 2.56
O3   .1840 .1544 .5654 2.49
O4   .1248 .2758 .3548 2.40
Wat1 .2306 .3024 .2100 1.87
Wat2 .1832 .1231 .9857 1.86
Wat3 .1979 .4037 .9193 1.58
Wat4     0 .1231   .25 2.99
Wat5 .0683 .1864 .9161 2.25
Wat6 .0358 .4291 .1101 3.68
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Kainite
Download hom/kainite.pdf
Robinson P D, Fang J H, Ohya Y
Download am/vol57/AM57_1325.pdf
American Mineralogist 57 (1972) 1325-1332
The crystal structure of kainite
Locality: Stassfurt, Germany
_database_code_amcsd 0000291
19.72 16.23 9.53 90 94.92 90 C2/m
atom      x     y     z Biso
K1   .19158    .5 .4203 1.80
K2   .19318     0 .9398 1.56
K3   .19487 .3064 .8483 2.00
S1   .09695 .3308 .5175  .69
S2   .09805 .1672 .0136  .75
Mg1       0    .5    .5  .87
Mg2       0     0     0 1.00
Mg3  .25000   .25    .5 1.14
Mg4  .00026 .2484 .2481 1.00
Cl1  .21470     0 .2730 2.45
Cl2  .13985     0 .6231 2.27
Cl3  .17890 .3892 .1357 2.35
O1    .0710 .2317 .9152 1.30
O2    .0707 .2694 .4142 1.37
O3    .0749 .3107 .6569 1.29
O4    .0734 .4133 .4744 1.52
O5    .0715 .0859 .9646 1.56
O6    .0760 .1844 .1552 1.14
O7    .1721 .3316 .5261 1.25
O8    .1722 .1668 .0183 1.34
Wat1  .0399     0 .2197 1.65
Wat2  .0193    .5 .7192 1.42
Wat3  .2133 .1727 .6510 2.19
Wat4  .0259 .3588 .1468 1.48
Wat5  .0200 .1354 .6489 1.74
Wat6  .1963 .1849 .3438 1.80
Wat7  .1454    .5 .8430 4.49
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Eudidymite
Download hom/eudidymite.pdf
Fang J H, Robinson P D, Ohya Y
Download am/vol57/AM57_1345.pdf
American Mineralogist 57 (1972) 1345-1354
Redetermination of the crystal structure of eudidymite and its dimorphic
relationship to epididymite
_database_code_amcsd 0000293
12.63 7.38 14.02 90 103.72 90 C2/c
atom     x     y     z Biso
Na   .0287 .3405 .9282 2.57
Be   .1677 .3228 .4969 1.08
Si1  .2038 .0199 .6416  .76
Si2  .2518 .1027 .8665  .78
Si3  .0297 .0933 .3618  .82
O1   .0732 .0329 .6266 1.07
O2   .2401 .1800 .1152 1.49
O3   .2410 .1650 .5715 1.19
O4   .2368 .4392 .2447 1.65
O5   .1549 .4984 .0558 1.16
O6   .1292 .0519 .8755 1.12
O7       0 .1732   .25 1.51
O8   .0526 .2561 .4373 1.31
Wat      0 .4322   .75 3.03
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Kornelite
Download hom/kornelite.pdf
Robinson P D, Fang J H
Download am/vol58/AM58_535.pdf
American Mineralogist 58 (1973) 535-539
Crystal structures and mineral chemistry of hydrated ferric sulphates. III. The
crystal structure of kornelite
_database_code_amcsd 0000322
14.30 20.12 5.425 90 96.8 90 P2_1/n
atom     x     y     z occ Biso
Fe1  .8303 .1030 .7970      2.9
Fe2  .3330 .1146 .7724      2.8
S1   .6483 .0357 .9931      1.2
S2   .8989 .2432 .0578      1.3
S3   .1544 .0489 .4280      1.3
O1   .5884 .0575  .170      2.3
O2   .7286 .0819  .003      2.3
O3   .3113 .0311  .941      2.7
O4   .6000 .0333  .738      2.4
O5   .4547 .2310  .375      2.5
O6   .3364 .2051  .632      2.2
O7   .9577 .2173  .269      2.8
O8   .8333 .1906  .947      2.1
O9   .0953 .0477  .628      2.9
O10  .1043 .0755  .198      2.4
O11  .8093 .0190  .610      2.6
O12  .2381 .0918  .496      2.5
Wat1 .4423 .1368  .025      2.4
Wat2 .4277 .0754  .565      1.9
Wat3 .2357 .1522  .972      3.2
Wat4 .7429 .1411  .519      4.4
Wat5 .9216 .0599  .060      2.3
Wat6 .9439 .1256  .629      2.4
Wat7  .147  .256  .329 .50  5.2
Wat8  .644  .245  .300 .75  5.4
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Quenstedtite
Download hom/quenstedtite.pdf
Thomas J N, Robinson P D, Fang J H
Download am/vol59/AM59_582.pdf
American Mineralogist 59 (1974) 582-586
Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The
crystal structure of quenstedtite
_database_code_amcsd 0000409
6.184 23.60 6.539 94.18 101.73 96.27 P-1
atom      x     y     z Biso
Fe1   .1411 .1146 .3365 3.05
Fe2   .4684 .6182 .2434 3.05
S1    .2633 .2813 .9573  1.4
S2    .1281 .5732 .7901  1.3
S3    .4462 .0771 .7623  1.4
O1     .084 .3136  .972  2.3
O2     .408 .2843  .164  2.6
O3     .186 .2210  .871  2.5
O4     .393 .3072  .810  2.2
O5     .229 .5288  .701  2.7
O6     .059 .6112  .637  2.4
O7     .051 .4498  .119  2.0
O8     .301 .6071  .960  2.9
O9     .334 .0316  .852  2.8
O10    .439 .8790  .072  2.5
O11    .400 .9444  .356  2.5
O12    .274 .1022  .620  2.7
Wat1   .052 .1860  .453  2.4
Wat2   .431 .1533  .292  2.9
Wat3   .010 .1325  .045  2.0
Wat4   .200 .0390  .210  2.3
Wat5   .160 .9277  .653  2.2
Wat6   .283 .4228  .817  2.4
Wat7   .232 .6591  .343  1.8
Wat8   .372 .3699  .449  2.2
Wat9   .333 .5419  .322  2.7
Wat10  .366 .7854  .370  3.9
Wat11  .179 .7506  .794  3.6
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Alunogen
Download hom/alunogen.pdf
Fang J H, Robinson P D
Download am/vol61/AM61_311.pdf
American Mineralogist 61 (1976) 311-317
Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content
_database_code_amcsd 0000518
7.420 26.970 6.062 89.67 97.34 91.53 P-1
atom      x     y     z Biso
S1    .2327 .9390 .4813 1.46
S2    .2424 .5607 .4859 1.23
S3    .6334 .7470 .4740 2.54
Al1   .2803 .0986 .0012 1.27
Al2   .7367 .5995 .0029 1.19
O1    .3740 .9043 .4480 2.80
O2    .6970 .0258 .3400 2.30
O3    .9280 .0886 .4570 2.30
O4    .1750 .9656 .2710 2.50
O5    .6930 .4738 .3360 2.30
O6    .3910 .5955 .4470 2.10
O7    .9080 .4114 .4460 2.00
O8    .1740 .5336 .2790 2.20
O9    .2320 .2814 .3870 4.80
O10   .6040 .7268 .2490 3.70
O11   .7030 .7981 .4660 4.20
O12   .5430 .2528 .4370 6.60
Wat1  .8120 .8415 .1130 2.30
Wat2  .3340 .1254 .2890 1.90
Wat3  .3740 .0379 .1120 1.80
Wat4  .7710 .9304 .2850 1.60
Wat5  .4820 .8829 .0530 1.90
Wat6  .0460 .0774 .0620 2.00
Wat7  .8280 .6603 .1280 2.00
Wat8  .3030 .3725 .2820 1.70
Wat9  .0270 .4179 .0470 2.00
Wat10 .7770 .5696 .2870 1.50
Wat11 .4970 .6145 .0520 1.70
Wat12 .3610 .4622 .1210 1.50
Watz1 .7090 .3249 .2010 4.40
Watz2 .6110 .2101 .0430 5.90
Watz3 .0020 .2164 .1010 7.10
Watz4 .1520 .6965 .2290 7.60
Watz5 .1480 .7970 .4340 6.20
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Barylite
Download hom/barylite.pdf
Robinson P D, Fang J H
Download am/vol62/AM62_167.pdf
American Mineralogist 62 (1977) 167-169
Barylite, BaBe2Si2O7: its space group and crystal structure
Locality: amazonite pocket, Park County, Colorado, USA
_database_code_amcsd 0000560
9.820 11.670 4.690 90 90 90 Pnma
atom     x     y     z Biso
Ba   .1516   .75 .2470  .79
Be   .1610 .5020 .7030  .60
Si   .0885 .3779 .1995  .50
O1   .4291 .3846 .2175  .63
O2   .1874 .4712 .3558  .51
O3   .1072 .3868 .8592  .74
O4   .1454   .25 .2958  .50
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Barioferrite
 
Townes W D, Fang J H, Perrotta A J
Download zk/vol125/ZK125_437.pdf
Zeitschrift fur Kristallographie 125 (1967) 437-449
The crystal structure and refinement of ferrimagnetic barium ferrite, BaFe12O19
_database_code_amcsd 0010651
5.893 5.893 23.194 90 90 120 P6_3/mmc
atom     x     y     z occ Biso
Ba     1/3   2/3   .25      .31
Fe1      0     0     0      .20
Fe2      0     0 .2567  .5  .36
Fe3    2/3   1/3 .0272      .21
Fe4    2/3   1/3 .1902      .22
Fe5  .1687 .3374 .1083      .23
O1       0     0 .1501      .29
O2     1/3   2/3 .0546      .46
O3   .8159 .6318   .25      .44
O4   .8447 .6894 .0522      .31
O5   .4967 .9934 .1495      .41
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MnGeO3
 
Fang J H, Townes W D, Robinson P D
Download zk/vol130/ZK130_139.pdf
Zeitschrift fur Kristallographie 130 (1969) 139-147
The crystal structure of manganese metagermanate, MnGeO3
Note: x coordinate of O6 altered to a reasonable value
_database_code_amcsd 0010696
19.267 9.248 5.477 90 90 90 Pbca
atom     x     y     z Biso
Mn1  .1238 .3465 .3588  .28
Mn2  .3777 .4819 .3515  .34
Ge1  .4728 .1631 .2981  .13
Ge2  .2702 .3438 .0340  .12
O1   .0621 .1575 .1890  .72
O2   .0685 .5161 .1856  .51
O3   .4442 .3098 .1097  .41
O4   .1802 .3356 .0224  .13
O5   .1923 .0083 .0467  .44
O6   .3062 .2787 .3137  .24
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Sinhalite
Download hom/sinhalite.pdf
Fang J H, Newnham R E
Download mm/vol35/MM35_196.pdf
Mineralogical Magazine 35 (1965) 196-199
The crystal structure of sinhalite
Locality: Sri Lanka
_database_code_amcsd 0014441
9.878 5.675 4.328 90 90 90 Pnma
atom     x     y      z Biso
Al       0     0      0  .06
Mg   .2762   1/4 -.0164  .16
B    .0884   1/4  .4057  .10
O1   .0798   1/4  .7418  .25
O2   .4450   1/4  .2559  .21
O3   .1487 .0410  .2658  .22
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Total number of retrieved datasets: 18
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