American Mineralogist Crystal Structure Database

24 matching records for this search.

Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 96.7 K
_database_code_amcsd 0018536
11.4401 11.4401 11.4401 90 90 90 Ia-3d
atom       x      y      z occ   Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg     .1267  .0060  .2512 .25  .0036
Al         0      0      0     .00292   .440   .440   .440   .004   .004   .004
Si      .375      0    .25     .00257   .349   .407   .407      0      0      0
O    -.03290 .05061 .15333     .00383   .552   .652   .531  -.072   .106   .028
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 122.3 K
_database_code_amcsd 0018537
11.4425 11.4425 11.4425 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00540
Al         0      0      0  .00279
Si      .375      0    .25  .00267
O    -.03294 .05040 .15337  .00388
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 173.7 K
_database_code_amcsd 0018538
11.4450 11.4450 11.4450 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00662
Al         0      0      0  .00307
Si      .375      0    .25  .00293
O    -.03298 .05053 .15350  .00422
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 223.3 K
_database_code_amcsd 0018539
11.4508 11.4508 11.4508 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00777
Al         0      0      0  .00352
Si      .375      0    .25  .00317
O    -.03303 .05037 .15341  .00472
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 273.6 K
_database_code_amcsd 0018540
11.4548 11.4548 11.4548 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00901
Al         0      0      0  .00399
Si      .375      0    .25  .00372
O    -.03295 .05044 .15340  .00540
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 295 K
_database_code_amcsd 0018541
11.4572 11.4572 11.4572 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00963
Al         0      0      0  .00410
Si      .375      0    .25  .00380
O    -.03302 .05020 .15336  .00571
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 322.8 K
_database_code_amcsd 0018542
11.4592 11.4592 11.4592 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01033
Al         0      0      0  .00443
Si      .375      0    .25  .00414
O    -.03301 .05015 .15344  .00613
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 373.5 K
_database_code_amcsd 0018543
11.4641 11.4641 11.4641 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01166
Al         0      0      0  .00484
Si      .375      0    .25  .00446
O    -.03303 .05010 .15351  .00672
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 423.3 K
_database_code_amcsd 0018544
11.4690 11.4690 11.4690 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01293
Al         0      0      0  .00553
Si      .375      0    .25  .00509
O    -.03309 .05018 .15367  .00743
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 472.6 K
_database_code_amcsd 0018545
11.4730 11.4730 11.4730 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01433
Al         0      0      0  .00591
Si      .375      0    .25  .00544
O    -.03309 .04999 .15356  .00816
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 523.0 K
_database_code_amcsd 0018546
11.4801 11.4801 11.4801 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01527
Al         0      0      0  .00630
Si      .375      0    .25  .00568
O    -.03313 .04987 .15345  .00868
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 572.9 K
_database_code_amcsd 0018547
11.4848 11.4848 11.4848 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01644
Al         0      0      0  .00667
Si      .375      0    .25  .00614
O    -.03317 .04982 .15357  .00926
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Pyrope
Download hom/pyrope.pdf
Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 622.9 K
_database_code_amcsd 0018548
11.4893 11.4893 11.4893 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01767
Al         0      0      0  .00724
Si      .375      0    .25  .00652
O    -.03317 .04966 .15359  .00998
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 672.9 K
_database_code_amcsd 0018549
11.4960 11.4960 11.4960 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01898
Al         0      0      0  .00773
Si      .375      0    .25  .00689
O    -.03314 .04968 .15356  .01072
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 723.0 K
_database_code_amcsd 0018550
11.5023 11.5023 11.5023 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02058
Al         0      0      0  .00825
Si      .375      0    .25  .00735
O    -.03323 .04949 .15357  .01153
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 773.1 K
_database_code_amcsd 0018551
11.5078 11.5078 11.5078 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02178
Al         0      0      0  .00879
Si      .375      0    .25  .00793
O    -.03321 .04947 .15363  .01219
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 823.1 K
_database_code_amcsd 0018552
11.5136 11.5136 11.5136 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02292
Al         0      0      0  .00932
Si      .375      0    .25  .00804
O    -.03330 .04901 .15374  .01286
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 873.1 K
_database_code_amcsd 0018553
11.5195 11.5195 11.5195 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02419
Al         0      0      0  .00990
Si      .375      0    .25  .00878
O    -.03325 .04934 .15359  .01371
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 922.9 K
_database_code_amcsd 0018554
11.5244 11.5244 11.5244 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02518
Al         0      0      0  .01042
Si      .375      0    .25  .00940
O    -.03328 .04926 .15366  .01437
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 972.9 K
_database_code_amcsd 0018555
11.5291 11.5291 11.5291 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02627
Al         0      0      0  .01077
Si      .375      0    .25  .00985
O    -.03323 .04926 .15366  .01498
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View JMOL 3-D Structure (permalink)
 
LaAlO3
 
Nakatsuka A, Ohtaka O, Arima H, Nakayama N, Mizota T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=148
Acta Crystallographica E61 (2005) i148-i150
Cubic phase of single-crystal LaAlO3 perovskite synthesized at
4.5 GPa and 1273 K
Locality: synthetic
_database_code_amcsd 0010454
3.7913 3.7913 3.7913 90 90 90 Pm-3m
atom  x  y  z    Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La    0  0  0 .004299 .00430  .0043  .0043      0      0      0
Al   .5 .5 .5  .00377 .00380  .0038  .0038      0      0      0
O     0 .5 .5  .01400  .0027  .0197  .0197      0      0      0
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Paradamite
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Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R
 
Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43
Crystal structure refinements of legrandite, adamite, and paradamite:
The complex structure and characteristic hydrogen bonding network of legrandite
Locality: Ojuela Mine, Mapimi, Durango, Mexico
_database_code_amcsd 0020669
5.8438 6.7226 5.6566 104.348 92.320 76.683 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)
Zn1  .75038 .50070 .39302 .01362   .0118  .0182 .01109 -.00260 .00117  .00453
Zn2  .26443 .18683 .02106 .01213  .00861  .0137 .01345 -.00096 .00189  .00320
As   .75230 .27466 .83126 .00878  .00702 .00955 .00976 -.00088 .00169  .00299
O1    .0302  .1401  .7621  .0131   .0087  .0171  .0122  -.0012  .0013   .0025
O2    .6100  .1248  .9424  .0138   .0082  .0119  .0232   .0007  .0037   .0100
O3    .6176  .3337  .5791  .0133   .0112  .0197  .0104  -.0039  .0019   .0056
O4    .2520  .4981  .9545  .0109   .0107  .0091  .0118  -.0011  .0020   .0013
O5    .1080  .3001  .3517  .0128   .0140  .0112  .0134  -.0024  .0036   .0033
H      .103   .190   .406   .019
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Adamite
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Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R
 
Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43
Crystal structure refinements of legrandite, adamite, and paradamite:
The complex structure and characteristic hydrogen bonding network of legrandite
Locality: Ojuela Mine, Mapimi, Durango, Mexico
_database_code_amcsd 0020670
8.3428 8.5664 6.0769 90 90 90 Pnnm
atom      x      y      z   Uiso  U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Zn1       0      0 .24743  .0143   .0202  .0148  .0078  -.0063      0       0
Zn2  .13498 .36425      0  .0102   .0108  .0092  .0107  -.0004      0       0
As   .25063 .24389     .5  .0077   .0081  .0068  .0083  -.0000      0       0
O1    .0750  .1446     .5  .0100    .011   .007   .013  -.0059      0       0
O2    .1074  .1281      0  .0100    .010   .007   .013   .0009      0       0
O3    .3954  .1042     .5  .0154    .009   .007   .030  -.0013      0       0
O4    .2697  .3611  .2772  .0143   .0156   .018  .0092  -.0051 -.0038   .0035
H      .201   .096      0   .015
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Legrandite
Download hom/legrandite.pdf
Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R
 
Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43
Crystal structure refinements of legrandite, adamite, and paradamite:
The complex structure and characteristic hydrogen bonding network of legrandite
Locality: Ojuela Mine, Mapimi, Durango, Mexico
_database_code_amcsd 0020671
12.8014 7.9390 10.2262 90 104.490 90 P2_1/c
atom      x      y      z   Uiso  U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Zn1  .40317 .04960 .38958 .01108  .01041 .01144 .01085  .00154 .00168  .00018
Zn2  .25262 .33093 .46221 .01031  .00980 .00910 .01202  .00048 .00273 -.00051
Zn3  .36183 .80584 .12768 .01254  .01353 .00998 .01260 -.00080 .00042  .00162
Zn4  .01007 .24144 .44052 .01292  .01046 .01517 .01273 -.00072 .00218 -.00056
As1  .14944 .05500 .21963 .00783  .00759 .00813 .00769 -.00022 .00175 -.00020
As2  .38527 .42177 .21403 .00762  .00778 .00753 .00783  .00000 .00251  .00033
O1   .26823  .9528  .2613  .0121   .0088  .0122  .0137   .0030  .0000   .0000
O2   .13880  .1603  .0732  .0116   .0132  .0134  .0091   .0033  .0046   .0051
O3   .13297  .1896  .3416  .0125   .0111  .0136  .0135  -.0017  .0040  -.0055
O4   .04883  .9129  .2019  .0136   .0139  .0138  .0138  -.0055  .0046  -.0015
O5   .47905  .9522  .2404  .0128   .0080  .0156  .0139   .0023  .0009  -.0036
O6   .35349  .3421  .0568  .0142   .0172  .0167  .0090  -.0088  .0038  -.0041
O7   .34567  .2897  .3198  .0121   .0134  .0105  .0143   .0005  .0073   .0017
O8   .32000  .6056  .2179  .0153   .0210  .0090  .0196   .0054  .0119   00042
O9    .0881  .7337  .4346  .0221   .0189  .0297  .0204   .0109  .0101   .0096
O10  .55428  .1626  .4850  .0121   .0110  .0108  .0150   .0003  .0043  -.0003
O11  .27318  .5763  .4694  .0122   .0154  .0118  .0099  -.0031  .0042   .0011
O12   .0793  .5315  .1403  .0236   .0197  .0234  .0306   00072  .0117   .0092
H91    .144    .68   .446   .033
H92    .070   .783   .365   .033
H101   .531   .231   .527   .018
H111   .287   .612   .403   .018
H121  .1432   .545   .158   .035
H122   .059   .481   .208   .035
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Total number of retrieved datasets: 24
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