American Mineralogist Crystal Structure Database

30 matching records for this search.

Krautite
Download hom/krautite.pdf
Catti M, Franchini-Angela M
Download am/vol64/AM64_1248.pdf
American Mineralogist 64 (1979) 1248-1254
Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations
with haidingerite and pharmacolite
_database_code_amcsd 0000753
8.012 15.956 6.801 90 96.60 90 P2_1
atom       x      y     z Biso
Mn(1)  .4033  .0451 .6520 0.69
Mn(1') .1069 -.0455 .9043 0.76
Mn(2)  .8581  .0663 .1631 0.71
Mn(2') .6511 -.0661 .3934 0.70
As(1)  .4087  .0874 .1473 0.61
As(1') .1000 -.0881 .4075 0.57
As(2)  .8140  .1014 .6689 0.52
As(2') .6976 -.1035 .8891 0.52
O(1)    .297  .1710  .202  1.1
O(1')   .211 -.1690  .351  1.1
O(2)    .329   .036 -.054  0.7
O(2')   .183  -.036  .612  1.0
O(3)    .449   .023  .342  0.9
O(3')   .058  -.022  .214  0.3
O(4)    .603   .129  .092  1.3
O(4')  -.090  -.129  .462  0.7
O(5)    .624   .134  .717  1.1
O(5')   .888  -.133  .841  0.7
O(6)    .916   .050  .862  0.7
O(6')   .593  -.051  .696  0.9
O(7)    .808   .044  .462  1.0
O(7')   .707  -.045  .097  0.9
O(8)    .938   .189  .644  1.4
O(8')   .583  -.190  .922  1.6
Wat1    .264   .164  .583  1.5
Wat1'   .248  -.166  .964  1.4
Wat2    .960   .190  .168  1.8
Wat2'   .545  -.187  .391  1.8
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Picropharmacolite
Download hom/picropharmacolite.pdf
Catti M, Ferraris G, Ivaldi G
Download am/vol66/AM66_385.pdf
American Mineralogist 66 (1981) 385-391
The crystal structure of picropharmacolite, Ca4Mg(HAsO4)2(AsO4)2*11H2O
_database_code_amcsd 0000825
13.547 13.500 6.710 99.85 96.41 91.60 P-1
atom      x     y     z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
As1   .4780 .1321 .2007      .002765 .000850 .003481 -.000700 -.000566 -.001147
As2   .3966 .4164 .0624      .002074 .001133 .005801  .000420 -.000850 -.000573
As3   .7177 .2856 .5546      .001936 .000991 .004061 -.000280  .000283 -.001433
As4   .8093 .0155 .7877      .003180 .001416 .005221 -.000140 -.000566 -.001433
Ca1   .6347 .3305 .0702      .004010 .000425 .005221 -.000420 -.001133 -.001147
Ca2   .4987 .3725 .5677      .004010 .000567 .004641 -.000560  .000283 -.000573
Ca3   .5733 .0881 .7256      .002489 .001416 .007541 -.000700 -.000566 -.001433
Ca4   .6965 .0195 .2559      .003318 .000850 .006381 -.000700  .001699 -.000287
Mg    .8739 .1952 .2149      .002489 .001133 .004061  .000420 -.001416  .000287
O1     .427  .229  .336  1.3
O2     .394  .050  .060  1.7
O3     .559  .171  .065  2.1
O4     .540  .066  .360  1.8
OH5    .310  .321  .091  2.3
O6     .334  .499 -.033  1.8
O7     .463  .457  .285  1.6
O8     .472  .358 -.096  1.2
O9     .637  .253  .713  0.6
O10    .658  .367  .430  2.1
O11    .822  .338  .708  1.7
O12    .752  .192  .381  0.6
O13    .919  .045  .727  2.3
O14    .784  .087  .011  1.8
OH15   .813 -.110  .822  2.4
O16    .713  .021  .608  1.3
Wat1   .818  .325  .087  1.4
Wat2   .319  .412  .573  1.7
Wat3   .400  .152  .686  1.5
Wat4   .814 -.115  .239  2.9
Wat5   .986  .189  .033  3.8
Wat6   .960  .299  .437  2.4
Wat7   .932  .082  .348  3.1
Wat8   .835  .745  .493  2.6
Wat9   .887  .656  .019  2.9
Wat10  .888  .517  .678  2.5
Wat11  .908  .502  .267  2.4
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Magnesiochloritoid
Download hom/magnesiochloritoid.pdf
Ivaldi G, Catti M, Ferraris G
Download am/vol73/AM73_358.pdf
American Mineralogist 73 (1988) 358-364
Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
assemblage (Monte Rosa)
Sample at 25 C
_database_code_amcsd 0001139
9.460 5.471 18.182 90 101.4 90 C2/c
atom      x      y      z occ Biso
Al1A    .25    .25      0     .418
Al2A      0  .4025    .25     .340
Mg1B .08397 .74576 .00088 .65 .553
Fe1B .08397 .74576 .00088 .35 .553
Al2B .24994 .65365 .24886     .347
Si   .46403 .40298 .15595     .268
O1A   .1146  .3927 .05294      .58
OH1B  .2646  .9447 .05001      .55
O1C   .4267  .3977 .06359      .49
O2A   .3945  .1589 .18819      .39
O2B   .3949  .6479 .18730      .39
O2C   .1393  .9037 .18702      .39
O2D   .1485  .4016 .20164      .32
H      .137   .404   .112
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Magnesiochloritoid
Download hom/magnesiochloritoid.pdf
Ivaldi G, Catti M, Ferraris G
Download am/vol73/AM73_358.pdf
American Mineralogist 73 (1988) 358-364
Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
assemblage (Monte Rosa)
Sample at 700 C
_database_code_amcsd 0001140
9.515 5.516 18.300 90 101.3 90 C2/c
atom      x     y      z occ Biso
Al1A    .25   .25      0     1.44
Al2A      0 .4028    .25     1.22
Mg1B .08411 .7468 .00070 .65 2.03
Fe1B .08411 .7468 .00070 .35 2.03
Al2B  .2498 .6537 .24871     1.24
Si   .46414 .4026 .15604      .97
OH1A  .1147 .3922  .0531     1.78
OH1B  .2640 .9456  .0500     1.73
O1C   .4270 .3976  .0642     1.56
O2A   .3949 .1601  .1880     1.29
O2B   .3949 .6465  .1868     1.28
O2C   .1385 .9037  .1863     1.30
O2D   .1493 .4016  .2028     1.05
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Piemontite
Download hom/piemontite.pdf
Catti M, Ferraris G, Ivaldi G
Download am/vol73/AM73_1370.pdf
American Mineralogist 73 (1988) 1370-1376
Thermal behavior of the crystal structure of strontian piemontite
Sample: T = 25 C
_database_code_amcsd 0001202
8.884 5.684 10.202 90 115.23 90 P2_1/m
atom      x     y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1  .75896   .75 .15395           .00402 .00603 .00229       0 .00198       0
Ca2  .59844   .75 .42438 .799      .00340 .01029 .00164       0 .00074       0
Sr2  .59844   .75 .42438 .201      .00340 .01029 .00164       0 .00074       0
Al1       0     0      0 .810      .00162 .00325 .00146 -.00010 .00053  .00009
Mn1       0     0      0 .136      .00162 .00325 .00146 -.00010 .00053  .00009
Fe1       0     0      0 .054      .00162 .00325 .00146 -.00010 .00053  .00009
Al2       0     0     .5           .00154 .00317 .00149 -.00016 .00060 -.00014
Al3  .29468   .25 .22161 .059      .00143 .00433 .00155       0 .00053       0
Mn3  .29468   .25 .22161 .672      .00143 .00433 .00155       0 .00053       0
Fe3  .29468   .25 .22161 .269      .00143 .00433 .00155       0 .00053       0
Si1  .34046   .75 .04491           .00189 .00410 .00149       0 .00070       0
Si2  .68461   .25 .27550           .00174 .00425 .00155       0 .00070       0
Si3  .18391   .75 .31827           .00181 .00441 .00158       0 .00087       0
O1    .2338 .9921  .0369           .00294 .00495 .00331  .00071 .00168  .00042
O2    .3041 .9799  .3545           .00274 .00588 .00234 -.00098 .00107  .00014
O3    .7957 .0154  .3396           .00209 .00487 .00252  .00038 .00000 -.00028
O4    .0576   .25  .1312           .00259 .00433 .00202       0 .00107       0
O5    .0417   .75  .1465           .00220 .00696 .00176       0 .00043       0
O6    .0667   .75  .4068           .00298 .00410 .00226       0 .00161       0
O7    .5145   .75  .1792           .00263 .00789 .00223       0 .00040       0
O8    .5264   .25  .3124           .00259 .01091 .00284       0 .00158       0
O9    .6239   .25  .1000           .00572 .01408 .00208       0 .00202       0
O10   .0837   .25  .4308           .00259 .00495 .00202       0 .00134       0
H      .055   .25   .350       1.2
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Piemontite
Download hom/piemontite.pdf
Catti M, Ferraris G, Ivaldi G
Download am/vol73/AM73_1370.pdf
American Mineralogist 73 (1988) 1370-1376
Thermal behavior of the crystal structure of strontian piemontite
Sample: T = 800 C
_database_code_amcsd 0001203
8.934 5.727 10.30 90 115.26 90 P2_1/m
atom      x     y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1   .7605   .75  .1550      .01091 .01707 .00651       0 .00581       0
Ca2   .5959   .75  .4208 .799 .00850 .02949 .00501       0 .00259       0
Sr    .5959   .75  .4208 .201 .00850 .02949 .00501       0 .00259       0
Al1       0     0      0 .810 .00428 .00853 .00380 -.00070 .00169 -.00051
Mn1       0     0      0 .136 .00428 .00853 .00380 -.00070 .00169 -.00051
Fe1       0     0      0 .054 .00428 .00853 .00380 -.00070 .00169 -.00051
Al2       0     0     .5      .00440 .00899 .00420 -.00032 .00179 -.00009
Al3  .29447   .25 .22185 .059 .00367 .01295 .00440       0 .00166       0
Mn3  .29447   .25 .22185 .672 .00367 .01295 .00440       0 .00166       0
Fe3  .29447   .25 .22185 .269 .00367 .01295 .00440       0 .00166       0
Si1   .3390   .75  .0426      .00440 .00983 .00340       0 .00199       0
Si2   .6851   .25  .2757      .00390 .01059 .00340       0 .00179       0
Si3   .1841   .75  .3182      .00390 .00998 .00331       0 .00199       0
O1    .2337 .9882  .0358      .00658 .01600 .00777  .00167 .00418  .00187
O2    .3035 .9780  .3550      .00720 .01600 .00576 -.00280 .00298  .00009
O3    .7949 .0183  .3411      .00608 .01143 .00576  .00140 .00079 -.00009
O4    .0598   .25  .1295      .00497 .01372 .00345       0 .00179       0
O5    .0433   .75  .1471      .00574 .01600 .00345       0 .00169       0
O6    .0656   .75  .4050      .00727 .01372 .00547       0 .00465       0
O7    .5117   .75  .1739      .00574 .02362 .00489       0 .00066       0
O8    .5250   .25  .3090      .00497 .03048 .00777       0 .00435       0
O9    .6301   .25  .1031      .01646 .03811 .00432       0 .00564       0
OH10  .0811   .25  .4304      .00727 .00838 .00576       0 .00431       0
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Muscovite
Download hom/muscovite.pdf
Catti M, Ferraris G, Ivaldi G
 
European Journal of Mineralogy 1 (1989) 625-632
Thermal strain analysis in the crystal structure of muscovite at 700 C
T = 25 C
_database_code_amcsd 0006358
5.191 9.006 20.068 90 95.77 90 C2/c
atom     x     y     z occ Biso
K        0 .0989   1/4 .88 1.86
Na       0 .0989   1/4 .11 1.86
Al   .2502 .0834 .0001 .96  .81
Fe   .2502 .0834 .0001 .03  .81
Mg   .2502 .0834 .0001 .01  .81
AlT1 .4650 .9298 .1354 .23  .90
SiT1 .4650 .9298 .1354 .77  .90
AlT2 .4513 .2585 .1355 .23  .91
SiT2 .4513 .2585 .1355 .77  .91
O1   .4146 .0932 .1685     1.38
O2   .2519 .8096 .1573     1.50
O3   .2515 .3716 .1689     1.39
O4   .4623 .9442 .0535     1.01
O5   .3835 .2515 .0534     1.01
O6   .4577 .5614 .0500     1.10
H     .371  .627  .050      6.3
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Muscovite
Download hom/muscovite.pdf
Catti M, Ferraris G, Ivaldi G
 
European Journal of Mineralogy 1 (1989) 625-632
Thermal strain analysis in the crystal structure of muscovite at 700 C
T= 700 C
_database_code_amcsd 0006359
5.229 9.076 20.322 90 95.74 90 C2/c
atom     x     y     z occ Biso
K        0 .0983   1/4 .88  5.2
Na       0 .0983   1/4 .11  5.2
Al   .2517 .0836 .0001 .96 1.54
Fe   .2517 .0836 .0001 .03 1.54
Mg   .2517 .0836 .0001 .01 1.54
AlT1 .4642 .9306 .1344 .23 1.51
SiT1 .4642 .9306 .1344 .77 1.51
AlT2 .4510 .2590 .1344 .23 1.49
SiT2 .4510 .2590 .1344 .77 1.49
O1   .4297 .0937 .1670      2.6
O2   .2402 .8208 .1566      3.0
O3   .2397 .3629 .1671      2.7
O4   .4631 .9451 .0534      1.9
O5   .3795 .2514 .0532      1.9
O6   .4576 .5622 .0492      2.7
H     .371  .627  .050      6.3
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Muscovite
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Catti M, Ferraris G, Hull S, Pavese A
 
European Journal of Mineralogy 6 (1994) 171-178
Powder neutron diffraction study of 2M_1 muscovite
at room pressure and at 2 GPa
Sample: P = 1 bar
_database_code_amcsd 0006533
5.2108 9.0399 20.021 90 95.76 90 C2/c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K        0 .0949    1/4 .90  2.1
Na       0 .0949    1/4 .07  2.1
Al   .2489 .0834 -.0010 .80  .61
Fe   .2489 .0834 -.0010 .11  .61
Mg   .2489 .0834 -.0010 .08  .61
Ti   .2489 .0834 -.0010 .01  .61
Si1  .4636 .9267  .1375 .80   .8
Al1  .4636 .9267  .1375 .20   .8
Si2  .4544 .2586  .1365 .80  1.2
Al2  .4544 .2586  .1365 .20  1.2
O1   .4284 .0934  .1687     1.20
O2   .2453 .8154  .1580     1.34
O3   .2475 .3663  .1695     1.48
O4   .4638 .9419  .0537      .69
O5   .3906 .2505  .0535      .82
O6   .4539 .5625  .0515     1.48
H    .3642 .6525  .0559      4.2  .0042  .0035  .0006  .0000  .0018  .0002
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Muscovite
Download hom/muscovite.pdf
Catti M, Ferraris G, Hull S, Pavese A
 
European Journal of Mineralogy 6 (1994) 171-178
Powder neutron diffraction study of 2M_1 muscovite
at room pressure and at 2 GPa
Sample: P = 2 GPa
_database_code_amcsd 0006534
5.187 8.995 19.502 90 95.78 90 C2/c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K        0 .0949    1/4 .90  2.1
Na       0 .0949    1/4 .07  2.1
Al   .2489 .0834 -.0010 .80  .61
Fe   .2489 .0834 -.0010 .11  .61
Mg   .2489 .0834 -.0010 .08  .61
Ti   .2489 .0834 -.0010 .01  .61
Si1  .4636 .9267  .1375 .80   .8
Al1  .4636 .9267  .1375 .20   .8
Si2  .4544 .2586  .1365 .80  1.2
Al2  .4544 .2586  .1365 .20  1.2
O1   .4284 .0934  .1717     1.20
O2   .2453 .8154  .1642     1.34
O3   .2475 .3663  .1746     1.48
O4   .4638 .9419  .0537      .69
O5   .3906 .2505  .0535      .82
O6   .4648 .5693  .0501     1.48
H     .374  .661   .065      4.2  .0042  .0035  .0006  .0000  .0018  .0002
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Brucite
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Catti M, Ferraris G, Hull S, Pavese A
 
Physics and Chemistry of Minerals 22 (1995) 200-206
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
a powder neutron diffraction study
Sample: at P = 0.0001 GPa
_database_code_amcsd 0007912
3.14979 3.14979 4.7702 90 90 120 P-3m1
atom   x   y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Mg     0   0     0  .43
O    1/3 2/3 .2203  .42
H    1/3 2/3 .4130      .11121 .11121 .00901 .055605      0      0
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Brucite
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Catti M, Ferraris G, Hull S, Pavese A
 
Physics and Chemistry of Minerals 22 (1995) 200-206
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
a powder neutron diffraction study
Sample: at P = 7.8 GPa
_database_code_amcsd 0007913
3.0698 3.0698 4.429 90 90 120 P-3m1
atom   x   y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg     0   0     0  1.0
O    1/3 2/3 .2357  .61
H    1/3 2/3 .4415      .09904 .09904 .04461 .04952      0      0
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Brucite
Download hom/brucite.pdf
Catti M, Ferraris G, Hull S, Pavese A
 
Physics and Chemistry of Minerals 22 (1995) 200-206
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
a powder neutron diffraction study
Sample: at P = 10.9 GPa
_database_code_amcsd 0007914
3.0467 3.0467 4.3554 90 90 120 P-3m1
atom   x   y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Mg     0   0     0  .05
O    1/3 2/3 .2470  .18
H    1/3 2/3 .4480      .10773 .10773 .01450 .053865      0      0
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Brucite
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Catti M, Ferraris G, Hull S, Pavese A
 
Physics and Chemistry of Minerals 22 (1995) 200-206
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
a powder neutron diffraction study
Sample: at P = 10.9 GPa, split H site
_database_code_amcsd 0007915
3.0464 3.0464 4.3553 90 90 120 P-3m1
atom     x     y     z occ Biso
Mg       0     0     0      .01
O      1/3   2/3 .2473      .18
H    .3371 .6742 .4474 1/3   .7
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Guerinite
Download hom/guerinite.pdf
Catti M, Ferraris G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=30&spage=1789
Acta Crystallographica B30 (1974) 1789-1794
Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite)
Locality: synthetic
_database_code_amcsd 0009510
17.630 6.734 23.470 90 90.6 90 P2_1/n
atom     x     y     z occ Biso
Ca1  .5497 .4225 .3794      1.7
Ca2  .4515 .8850 .4333      1.5
Ca3  .4521 .7754 .2712      1.9
Ca4  .5155 .2668 .2140      1.8
Ca5  .2248 .5102 .2820      1.8
Ca6  .2194 .0573 .4876      1.7
As1  .5981 .9483 .3379      1.1
As2  .4020 .2581 .3188      1.2
As3  .3328 .5099 .1686      1.1
As4  .4032 .3719 .4830      1.3
As5  .5473 .7671 .1521      2.0
O1    .561  .008  .275       .3
O2    .687  .868  .325      4.4
O3    .537  .754  .357      2.9
O4    .614  .124  .387      3.2
O5    .388  .095  .268       .5
O6    .447  .172  .374       .0
O7    .460  .438  .299      3.3
O8    .327  .344  .336      2.3
O9    .306  .604  .105      1.9
O10   .339  .679  .219       .8
O11   .414  .417  .162      1.2
O12   .271  .355  .190      4.6
O13   .456  .166  .497       .0
O14   .321  .287  .449       .3
O15   .372  .507  .542      1.8
O16   .442  .520  .440      4.8
O17   .487  .953  .164      1.1
O18   .505  .616  .098       .8
O19   .634  .835  .132      4.0
O20   .557  .630  .210      1.4
Wat1  .361  .773  .354      1.4
Wat2  .346  .874  .499      1.2
Wat3  .636  .442  .298      4.9
Wat4  .624  .242  .156      4.8
Wat5  .158  .491  .377      1.2
Wat6  .210 -.061  .584      5.2
Wat7  .179  .726  .472      3.8
Wat8  .084  .115  .505      5.5
Wat9  .225  .382  .546      5.6
Wat10 .736  .732  .216      4.0
Ca7   .476  .142  .031 .17   .9
Ca8   .545  .071  .051 .08   .7
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Hannayite
Download hom/hannayite.pdf
Catti M, Franchini-Angela M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=2842
Acta Crystallographica B32 (1976) 2842-2848
Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O
(hannayite), and crystal-chemical relationships with schertelite and struvite
Locality: synthetic
_database_code_amcsd 0009576
10.728 7.670 6.702 97.87 96.97 104.74 P-1
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)  B(2,3)
N     .2094  .5266  .3144      .004032 .011108 .009323  .002675  .002088 .002770
H11    .147   .569   .340  1.4
H12    .226   .462   .417   .8
H13    .182   .447   .194   .6
H14    .278   .620   .313  2.4
Mg1       0      0      0      .002028 .005390 .005128  .000401  .000671 .002038
Mg2  .40280  .2405  .6622      .002052 .004078 .004429  .000602  .000783 .000941
P1   .12828 .33408 .75136      .001455 .004125 .004312  .000669  .000559 .001463
P2   .52884 .69239 .79383      .001575 .003093 .003263  .000401  .000634 .000888
O1   -.0067  .2961  .6275      .002362 .009374 .007459  .001505  .001715 .002613
O2    .1272  .2282  .9299      .002434 .007499 .007400  .000568  .000559 .003345
O3    .2292  .3025  .6206      .002935 .008296 .006643  .002006  .001715 .002456
Oh4   .1723  .5455  .8522      .003197 .005343 .012353  .000669  .001976 .000627
Oh5   .6233  .7702  .0107      .002314 .008624 .004778  .000936  .000932 .001202
O6    .5928  .8057  .6441      .003388 .005015 .005652  .000468  .001790 .001829
O7    .5184  .4926  .7377      .003436 .004781 .009149  .000769  .001268 .001568
O8    .4021  .7363  .8348      .002338 .006984 .008333  .001271  .001454 .001934
Ow1   .0550 -.1770  .7761      .005201 .008812 .007692  .002976  .001454 .000732
Ow2   .1476 -.0290  .2031      .003030 .010639 .010139 -.000033 -.000969 .005435
Ow3   .2991 -.0389  .6255      .003102 .006140 .009032  .000736  .001081 .002613
Ow4   .5737  .1605  .7495      .003579 .005531 .006993  .001705  .000858 .000784
H1     .248   .587   .840  1.0
H2     .705   .779   .005   .9
H3     .027  -.228   .644   .7
H4     .091  -.258   .816  2.2
H5     .225   .053   .267   .9
H6     .119  -.104   .286   .2
H7     .231  -.049   .676   .7
H8     .339  -.107   .686   .6
H9     .589   .182   .876   .4
H10    .579   .057   .710   .2
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Monetite
Download hom/monetite.pdf
Catti M, Ferraris G, Filhol A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1223
Acta Crystallographica B33 (1977) 1223-1229
Hydrogen bonding in the crystalline state. CaHPO4 (monetite),
P-1 or P1? A novel neutron diffraction study
Locality: Synthetic
_database_code_amcsd 0009584
6.910 6.627 6.998 96.34 103.82 88.33 P-1
atom     x     y     z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1  .2947 .4353 .2719     .00344 .00587 .00520  .00017 .00137 -.00146
Ca2  .1754 .8373 .6664     .00633 .00322 .00498 -.00022 .00016  .00095
P1   .2077 .3790 .7207     .00238 .00270 .00284  .00005 .00088  .00022
P2   .2962 .9436 .2082     .00416 .00438 .00339  .00101 .00093  .00011
O1   .3234 .3322 .9373     .00555 .00685 .00301  .00107 .00104  .00123
O2   .3514 .4919 .6324     .00360 .00518 .00449 -.00079 .00154  .00134
O3   .1390 .1806 .5964     .00522 .00322 .00531 -.00045 .00066 -.00078
O4   .0394 .5228 .7459     .00322 .00438 .00717  .00090 .00176  .00011
O5   .3329 .8363 .0168     .00527 .01031 .00410  .00198 .00077 -.00207
O6   .4592 .1042 .3007     .00499 .00772 .00963 -.00198 .00071 -.00292
O7   .0994 .0673 .1637     .00460 .00783 .00432  .00271 .00088  .00016
O8   .2880 .7917 .3537     .01277 .00720 .00870  .00418 .00623  .00477
H1       0     0     0     .01049 .01504 .01845  .00396 .00634  .00376
H2   .4605 .2588 .9506     .01293 .01360 .00788  .00017 .00231  .00089
H3   .5293 .1160 .4683  .5 .02859 .03763 .02557  .01810 .01808  .01539
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Dorfmanite
Download hom/dorfmanite.pdf
Catti M, Ferraris G, Franchini-Angela M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=3449
Acta Crystallographica B33 (1977) 3449-3452
The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds
Locality: synthetic
Note: displacement parameters from ICSD, Biso(H1) invented
_database_code_amcsd 0009612
16.8720 10.359 6.599 90 90 90 Pbca
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Na1  .77105 .23198 .82964      .001642 .002633 .007234  .000186  .000561  .000000
Na2  .00021 .14973 .64229      .001467 .003891 .010391 -.000172 -.000359 -.001353
P    .66256 .48293 .62163      .000782 .001771 .005109  .000000  .000000 -.000183
O1    .6491  .5210  .8438      .001774 .003471 .006602  .000029  .000382 -.000841
O2    .6937  .3463  .5998      .001352 .002190 .009817  .000157  .000314 -.000073
O3    .5903  .5103  .4941      .001247 .003425 .010391  .000157 -.001055  .000146
Oh4   .7320  .5792  .5489      .001256 .002609 .010161 -.000186  .000831 -.000256
Ow1   .5676  .1837  .5504      .001484 .004543 .011884 -.000215  .000651 -.000841
Ow2   .8958  .3206  .6820      .002046 .004170 .011539  .000129  .000427 -.000110
H1     .586   .115   .491  2.1
H2     .605   .230   .553  2.5
H3     .901   .381   .778  1.6
H4     .889   .373   .566  1.7
H5     .772   .536   .479  1.3
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Ivsite
 
Catti M, Ferraris G, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=525
Acta Crystallographica B35 (1979) 525-529
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
and S-OH vs O-H...O correlation
Locality: synthetic
_database_code_amcsd 0020234
8.648 9.648 9.143 90 108.77 90 P2_1/c
atom      x      y      z
Na1       0      0      0
Na2      .5      0     .5
Na3   .7453 -.0060  .2774
Na4   .3869  .1559  .1279
S1   .13929 .30906 .85771
S2   .63436 .31874 .40524
O1    .1547  .1578  .8752
O2    .2554  .3765  .9916
O3   -.0324  .3496  .8547
O4    .1596  .3568  .7146
O5    .6162  .3648  .5503
O6    .8095  .3375  .4152
O7    .5926  .1718  .3752
O8    .5334  .4044  .2778
H     -.102   .270   .877
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Ivsite
 
Catti M, Ferraris G, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=525
Acta Crystallographica B35 (1979) 525-529
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
and S-OH vs O-H...O correlation
Locality: synthetic
_database_code_amcsd 0020240
8.648 9.648 9.143 90 108.77 90 P2_1/c
atom      x      y      z
Na1       0      0      0
Na2      .5      0     .5
Na3   .7453 -.0060  .2774
Na4   .3869  .1559  .1279
H     -.102   .270   .877
S1   .13929 .30906 .85771
S2   .63436 .31874 .40524
O1    .1547  .1578  .8752
O2    .2554  .3765  .9916
O3   -.0324  .3496  .8547
O4    .1596  .3568  .7146
O5    .6162  .3648  .5503
O6    .8095  .3375  .4152
O7    .5926  .1718  .3752
O8    .5334  .4044  .2778
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Phaunouxite
Download hom/phaunouxite.pdf
Catti M, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=39&spage=4
Acta Crystallographica B39 (1983) 4-10
On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) ->
Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0009785
12.563 12.181 6.205 88.94 91.67 113.44 P-1
atom       x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    .1682 .5660  .3208 .0108  .0143  .0102  .0080  .0057 -.0009 -.0007
Ca2    .1084 .3371  .8407 .0108  .0152  .0104  .0067  .0069  .0009  .0010
Ca3    .1605 .9097  .4957 .0120  .0184  .0103  .0074  .0065  .0001  .0014
As1    .2598 .1854  .1645 .0097  .0119  .0096  .0075  .0050  .0008  .0004
As2    .0859 .6283  .7746 .0084  .0128  .0088  .0037  .0063  .0004  .0006
O1     .1814 .2015 -.0493  .018  .0250   .019   .011   .014  -.008  -.004
O2     .1683 .0845  .3344  .018   .024   .017   .014   .008   .003   .007
O3     .3226 .3166  .2967  .019   .025   .015   .017   .007  -.001  -.003
O4     .3633 .1436  .0786  .018   .013   .017   .024   .007  -.004  -.007
O5    -.0452 .6345  .8097  .012   .014   .013   .009   .008   .002   .000
O6     .0535 .4850  .7066  .013   .022   .006   .011   .005  -.004  -.003
O7     .1501 .7135  .5617  .012   .023   .011   .002   .008   .003   .004
O8     .1687 .6715  .9993  .014   .021   .016   .006   .007   .000   .001
Wat1   .3618 .7127  .3905  .029   .021   .035   .032   .012  -.005  -.013
Wat2   .2515 .4467  .5563  .019   .023   .019   .014   .012   .001  -.002
Wat3   .2759 .4839  .0635  .016   .012   .021   .014   .006   .006   .001
Wat4   .0554 .2158  .5053  .014   .021   .014   .008   .011   .001   .001
Wat5  -.0879 .1696  .8650  .018   .031   .017   .006   .008   .004  -.001
Wat6   .0719 .9804  .7864  .018   .025   .012   .016   .003  -.001  -.003
Wat7   .3377 .9390  .3182  .040   .032   .048   .039   .025   .016   .019
Wat8   .3003 .9697  .7735  .048   .059   .057   .027   .043  -.030  -.031
Wat9   .4023 .8017  .8229  .039   .029   .047   .040   .015  -.005   .007
Wat10  .4349 .3049  .7068  .032   .030   .031   .036   .010   .006   .008
Wat11  .4536 .5426  .7790  .027   .017   .036   .029   .003   .006   .003
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Rauenthalite
Download hom/rauenthalite.pdf
Catti M, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=39&spage=4
Acta Crystallographica B39 (1983) 4-10
On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) ->
Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0009786
12.564 12.169 6.195 89.09 79.69 118.58 P-1
atom      x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .1852 .5871 .2560 .020   .023   .012   .024   .015  -.001  -.005
Ca2   .1258 .3560 .7921 .018   .020   .010   .023   .011  -.006   .000
Ca3   .1642 .9274 .4295 .018   .020   .013   .021   .012  -.009  -.006
As1   .2783 .2190 .0583 .018   .019   .010   .025   .011  -.009  -.004
As2   .0903 .6369 .7388 .016   .019   .009   .019   .010  -.009  -.005
O1     .195  .223 -.128 .021
O2     .179  .108  .261 .021
O3     .351  .361  .148 .018
O4     .381  .176 -.073 .022
O5    -.052  .621  .832 .014
O6     .064  .494  .674 .022
O7     .158  .732  .506 .023
O8     .176  .688  .929 .016
Wat1   .387  .765  .224 .031
Wat2   .289  .484  .453 .019
Wat3   .307  .523 -.057 .029
Wat4   .067  .227  .482 .020
Wat5  -.093  .160  .904 .019
Wat6   .071  .984  .760 .014
Wat7   .364  .986  .179 .024
Wat8   .315  .007  .647 .040
Wat9   .414  .850  .681 .035
Wat10  .486  .342  .445 .044
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Cattiite
Download hom/cattiite.pdf
Catti M, Franchini-Angela M, Ivaldi G
Download zk/vol155/ZK155_53.pdf
Zeitschrift fur Kristallographie 155 (1981) 53-64
A case of polytypism in hydrated oxysalts:
the crystal structure of Mg3(PO4)2*22H2O-II
Locality: synthetic
_database_code_amcsd 0010835
6.937 6.932 16.132 82.15 89.72 119.49 P-1
atom     x     y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Mg1      0    .5      0 .01470 .01395 .00124 .00718 -.00039 -.00060
Mg2  .6483 .2510 .34371 .01049 .01007 .00135 .00488 -.00013 -.00042
P    .0031 .9632 .24028 .00842 .00944 .00125 .00453 -.00031 -.00073
O1   .9739 .9293  .3369 .01381 .00986 .00167 .00495  .00000 -.00002
O2   .1470 .2165  .2077 .01173 .01902 .00216 .00760 -.00107 -.00231
O3   .1173 .8372  .2137 .01312 .01268 .00187 .00767 -.00005 -.00108
O4   .7737 .8735  .2056 .01312 .01197 .00138 .00530 -.00036 -.00079
Ow1  .7765 .3162  .1055 .03590 .01338 .00177 .00767  .00104 -.00079
Ow2  .1703 .7771  .0582 .03245 .03452 .00187 .02720 -.00026  .00000
Ow3  .2045 .3862  .0472 .02623 .02254 .00207 .01185  .00208 -.00026
Ow4  .7473 .0684  .4254 .01242 .01973 .00315 .00906 -.00130 -.00369
Ow5  .7613 .5082  .4116 .01242 .01338 .00177 .00627  .00033 -.00063
Ow6  .9686 .4124  .2855 .02623 .01268 .00138 .00418  .00000 -.00105
Ow7  .5721 .4165  .2404 .01173 .01268 .00216 .00418 -.00099  .00034
Ow8  .3408 .1484  .4078 .01450 .01197 .00236 .00697  .00104  .00052
Ow9  .5020 .9672  .2855 .03383 .03311 .00167 .02790  .00156  .00158
Ow10 .6450 .8168  .0488 .01795 .02325 .00226 .00906 -.00078 -.00079
Ow11 .2786 .5280  .4150 .02140 .02184 .00207 .00906 -.00182 -.00105
H1    .722  .351   .134
H2    .756  .195   .130
H3    .130  .790   .107
H4    .237  .895   .033
H5    .190  .328   .098
H6    .249  .324   .022
H7    .820  .018   .402
H8    .717  .021   .470
H9    .850  .655   .388
H10   .762  .504   .459
H11   .000  .524   .264
H12   .038  .352   .257
H13   .432  .356   .232
H14   .629  .552   .237
H15   .207  .059   .384
H16   .332  .260   .412
H17   .588  .933   .256
H18   .384  .932   .259
H19   .519  .747   .055
H20   .692  .843   .095
H21   .361  .655   .393
H22   .174  .489   .390
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Ca5H2(AsO4)4*5H2O
 
Catti M, Ivaldi G
Download zk/vol157/ZK157_119.pdf
Zeitschrift fur Kristallographie 157 (1981) 119-130
Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) ->
Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter phase
Note: formed by dehydrating ferrarisite at 60 C
Locality: Sainte-Marie-aux-Mines (Alsace), France
_database_code_amcsd 0010836
8.286 6.673 9.743 86.58 111.10 99.74 P-1
atom       x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1    .4621 .1278 .8103            .022   .007   .040   .008   .023   .005
As2   -.0476 .3509 .8099            .018   .005   .240  -.002   .015  -.003
Ca1    .6525 .6519 .9093            .016   .005   .048  -.003   .017  -.001
Ca2    .1172 .8458 .9150            .021   .008   .033  -.002   .020  -.002
Ca3    -.148  .304  .422  .5        .059   .040   .011  -.004   .014  -.037
O1      .466  .332  .901     .022
O2      .624 -.002  .900     .018
O3      .266 -.021  .756     .020
O4      .488  .207  .647     .029
O5      .095  .549  .783     .017
O6      .065  .182  .930     .014
O7     -.177  .419  .894     .023
O8     -.178  .232  .649     .016
Wat1    .434  .641  .653  .5 .035
Wat2    .817  .832  .720     .029
Wat3   -.072  .640  .524  .5 .058
Wat4    .137  .287  .540  .5 .036
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Talmessite
Download hom/talmessite.pdf
Catti M, Ferraris G, Ivaldi G
 
Bulletin de Mineralogie 100 (1977) 230-236
Hydrogen bonding in the crystalline state. Structure of talmessite,
Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals
Locality: Bou-Azzer, Morocco
_database_code_amcsd 0012065
5.874 6.943 5.537 97.3 108.7 108.1 P-1
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Ca   .2949 .7622 .6529     .007042 .007783 .007472 .004324  .004104 -.001003
Mg       0     0     0 .65 .010234 .010786 .012809 .005462  .003532 -.001697
Co       0     0     0 .35 .010234 .010786 .012809 .005462  .003532 -.001697
As   .3341 .2460 .6703     .001972 .003984 .003008 .000986  .000955 -.001465
O1   .3420 .1272 .9217     .009577 .008703 .010577 .004476  .005345  .002545
O2   .2385 .0504 .3986     .008356 .009070 .007084 .005310 -.000955 -.004936
O3   .1550 .3916 .6412     .009953 .005516 .013876 .004779  .004677  .000771
O4   .6395 .3864 .7149     .008450 .008641 .014750 .001214  .007159 -.002236
Wat  .9533 .2778 .0745     .006572 .006619 .003881 .003414  .002959 -.000154
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Anapaite
Download hom/anapaite.pdf
Catti M, Ferraris G, Ivaldi G
 
Bulletin de Mineralogie 102 (1979) 314-318
Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O:
hydrogen bonding and relationships with the bihydrated phase
_database_code_amcsd 0012067
6.447 6.816 5.898 101.64 104.24 70.76 P-1
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca   .34280 .20937 .70749      .00497 .00331 .00552  .00000 .00110 -.00124
Fe        0      0      0      .00371 .00473 .00685  .00026 .00184 -.00089
P    .43302 .71811 .77170      .00294 .00276 .00467  .00026 .00110 -.00089
O1    .6806  .6255  .8844      .00350 .00479 .00669  .00078 .00133 -.00027
O2    .3121  .5514  .6789      .00624 .00380 .00794 -.00013 .00155 -.00276
O3    .3274  .8745  .9742      .00343 .00546 .00661 -.00183 .00169 -.00096
O4    .4082  .8467  .5739      .00582 .00374 .00708  .00157 .00147 -.00152
Ow1   .0981  .2196  .3098      .00455 .00632 .00825  .00059 .00206 -.00186
Ow2  -.0498  .2351 -.2356      .00560 .00589 .00801  .00111 .00081 -.00117
H1    -.022   .317   .330  4.1
H2     .177   .263   .239  5.7
H3    -.137   .192  -.355  3.0
H4    -.140   .352  -.187  4.7
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Fluckite
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Catti M, Chiari G, Ferraris G
 
Bulletin de Mineralogie 103 (1980) 129-134
Fluckite, CaMn(HAsO4)2*2H2O, a structure related
by pseudo-polytypism to krautite MnHAsO4*H2O
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0012068
8.459 7.613 6.968 82.21 98.25 95.86 P-1
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .1711  .1025  .8733       .0099  .0116  .0127 -.0022  .0035  .0007
Mn    .5764  .1525  .3386       .0133  .0139  .0152  .0006  .0029  .0010
As1  .18007 .13538 .36460       .0104  .0097  .0097  .0018  .0012  .0019
As2  .57539 .22993 .83841       .0104  .0074  .0108  .0000  .0006  .0023
Oh1   .0563  .2882  .4134        .020   .018   .047   .000   .013  -.005
O2    .0867  .0334  .1801        .016   .022   .012  -.009   .001  -.002
O3    .2048 -.0012  .5742        .013   .018   .012   .002   .003   .006
O4    .3436  .2623  .3049        .015   .014   .024  -.002   .005   .005
O5    .3977  .3030  .8462        .013   .011   .024   .004   .008   .003
O6    .6516  .1284  .0558        .020   .018   .011   .006  -.002   .001
O7    .5710  .0998  .6623        .018   .010   .014  -.001   .006   .001
Oh8   .7122  .4063  .7750        .014   .011   .042  -.001   .008   .001
Ow1   .0502  .3720  .8579        .022   .021   .057   .007   .018   .011
Ow2   .7084  .4091  .3621        .029   .023   .018   .001   .004   .004
HOh1  -.023   .247   .424    5
HOh8   .670   .481   .780    2
Hw11   .066   .433   .760   12
Hw12  -.021   .409   .879    5
Hw21   .728   .418   .461    0
Hw22   .667   .489   .299    6
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Ferrarisite
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Catti M, Chiari G, Ferraris G
 
Bulletin de Mineralogie 103 (1980) 541-546
The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O:
disorder, hydrogen bonding, and polymorphism with guerinite
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0012071
8.294 6.722 11.198 106.16 92.94 99.20 P-1
atom      x      y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .68248 .61888 .92486           .0109  .0112  .0190  .0026  .0032  .0052
Ca2  .14429 .80632 .92317           .0121  .0112  .0150  .0017  .0033  .0044
Ca3       0      0     .5           .0211  .0292  .0130  .0049  .0042  .0059
As1  .52429 .05829 .84251           .0099  .0099  .0137  .0018  .0021  .0047
As2  .00723 .26663 .83694            .010  .0095  .0119  .0017  .0032  .0042
O1    .4977  .2986  .9207           .0138  .0093  .0253  .0050  .0070  .0055
O2    .6562 -.0360  .9197           .0152  .0133  .0203  .0048 -.0019  .0085
O3    .3459 -.1116  .7934           .0115  .0160  .0182 -.0008  .0013  .0041
Oh4   .5964  .0666  .7006           .0145  .0354  .0169  .0010  .0033  .0105
O5    .1501  .4493  .8080           .0198  .0133  .0218 -.0002  .0083  .0061
O6    .0847  .1522  .9389           .0127  .0121  .0153  .0060  .0002  .0064
O7   -.1465  .3721  .9066           .0143  .0154   .020  .0080  .0066  .0063
O8   -.0725  .0764  .7029           .0212  .0172  .0119  .0004  .0026  .0023
Ow1   .4747  .5309  .7443           .0226  .0190  .0293  .0024  .0014  .0087
Ow2   .8929  .7139  .7724           .0278  .0155  .0237  .0044  .0013  .0082
Ow3   .1105  .3627  .5552            .064   .046   .033  -.017   .001   .014
Ow4   .2554 -.0531  .5718            .041   .132   .032   .043   .004   .028
Wat5  .6911  .4288  .5697  .5        .057   .019    .03   .002    .03   .006
HOh4    .69   .081   .712     .038
Hw1    .381   .471   .777     .038
Hw21   .901   .843   .747     .038
Hw22   .876   .596   .706     .038
Hw31   .212   .447   .514     .038
Hw32   .133   .429   .647     .038
Hw4    .253  -.068   .657     .038
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Bi Mn O6 Pb Sr2
 
Levy D, Fu W, Ijdo D, Catti M
 
Solid State Communications 92 (1994) 659-663
Crystal structure of Bi Pb Sr2 Mn O6 by powder neutron diffraction
_cod_database_code 1008677
_database_code_amcsd 0016563
5.3204 5.3796 23.71399 90 90 90 Amaa
atom     x     y     z occ
Mn1      0   .25   .25
Bi1      0 .2496 .0609  .5
Pb1      0 .2496 .0609  .5
Sr1      0 .7468 .1710
O1     .25     0 .2470
O2       0 .2629 .1519
O3   .3978 .1525 .0653  .5
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Newberyite
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Bartl H, Catti M, Joswig W, Ferraris G
 
Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1983) 187-194
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single
crystal neutron diffraction
Locality: synthetic
_database_code_amcsd 0015697
10.203 10.678 10.015 90 90 90 Pbca
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P    -.0091  .1328  .1536  .0061  .0097  .0089  .0001  .0006  .0001
Mg    .2972  .2468  .0862  .0059  .0101  .0083 -.0004 -.0002  .0016
O1   -.0881  .1995  .2575  .0142  .0184  .0135  .0026  .0044 -.0046
O2   -.0517  .1615  .0100  .0108  .0168  .0094  .0038 -.0011 -.0008
O3    .1386  .1533  .1678  .0067  .0172  .0117 -.0028 -.0014  .0026
O4   -.0337 -.0129  .1781  .0153  .0105  .0177 -.0016  .0057  .0000
Ow1   .1670  .3131 -.0616  .0130  .0310  .0142 -.0036 -.0033  .0061
Ow2   .2495  .4131  .1895  .0160  .0128  .0237  .0002  .0067 -.0025
Ow3   .3540  .0926 -.0327  .0350  .0151  .0195 -.0003  .0043 -.0040
H1    .1779  .3193 -.1573  .0407  .0371  .0215 -.0018  .0010  .0024
H2    .0799  .2788 -.0497  .0199  .0578  .0404 -.0097 -.0033  .0079
H3    .2913  .4935  .1766  .0293  .0234  .0343 -.0052  .0038 -.0002
H4    .1663  .4306  .2310  .0227  .0290  .0362  .0027  .0085 -.0020
H5    .3522  .1069 -.1252  .0769  .0425  .0290  .0042  .0052 -.0038
H6    .3461  .0042 -.0203  .0645  .0248  .0487 -.0010  .0031  .0021
H7   -.0026 -.0700  .1052  .0262  .0190  .0289 -.0010  .0045 -.0011
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Total number of retrieved datasets: 30
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