American Mineralogist Crystal Structure Database

16 matching records for this search.

Hydrocerussite
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Martinetto P, Anne M, Dooryhee E, Walter P, Tsoucaris G
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Acta Crystallographica C58 (2002) i82-i84
Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction
Locality: synthetic
_database_code_amcsd 0010324
5.2465 5.2465 23.702 90 90 120 R-3m
atom     x      y      z occ  Uiso
Pb1      0      0 .21510     .0172
Pb2  .9158 -.9158  .0016 1/6 .0215
C        0      0  .4304      .028
O1   .8568 -.8568  .4318      .028
OH2  -.293   .293  .0200 1/3  .010
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D1.64 Mo O3
 
Anne M, Fruchart D, Derdour S, Tinet D
 
Journal de Physique (Paris) 49 (1988) 505-509
Structure of D1.65 Mo O3 by neutron diffraction
_cod_database_code 1008556
_database_code_amcsd 0016447
13.986 3.780 4.065 90 93.99 90 C2/m
atom    x   y    z occ
Mo1  .106   0 .265
O1   .249   0 .299
O2   .614   0 .275
O3   .917   0 .233
D1   .242 .32 .914 .82
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Ba S3 V
 
Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F
 
Journal of Physics C: Solid State Physics 19 (1986) 6489-6503
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S3
_cod_database_code 1008374
_database_code_amcsd 0016284
6.7572 11.4866 5.5994 90 90 90 Cmcm
atom     x     y   z
Ba1      0 .3364 .25
V1       0     0   0
S1       0 .8303 .25
S2   .2436 .0835 .25
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Ba S3 V
 
Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F
 
Journal of Physics C: Solid State Physics 19 (1986) 6489-6503
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S3
_cod_database_code 1008375
_database_code_amcsd 0016285
6.7572 11.4866 5.5994 90 90 90 Cmc2_1
atom     x     y     z
Ba1      0 .3364   .25
V1       0  .021 -.001
S1       0 .8302  .237
S2   .2442 .0834  .258
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Ba S3 V
 
Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F
 
Journal of Physics C: Solid State Physics 19 (1986) 6489-6503
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S3
_cod_database_code 1008376
_database_code_amcsd 0016286
6.7572 11.4866 5.5994 90 90 90 C222_1
atom     x     y     z
Ba1      0 .3363   .25
V1   -.012     0     0
S1       0 .8303   .25
S2   .2442 .0835 .2613
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Ba S3 V
 
Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F
 
Journal of Physics C: Solid State Physics 19 (1986) 6489-6503
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S3
_cod_database_code 1008377
_database_code_amcsd 0016287
6.7192 6.7192 5.6188 90 90 120 P6_3/mmc
atom     x    y   z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .1655 .331 .25  .0192  .0139  .0251  .0080      0      0
V1       0    0   0  .0565  .0565  .0067  .0283      0      0
Ba1    1/3  2/3 .25  .0223  .0223  .0272  .0111      0      0
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Fe6.5 O35 V11.5
 
Grey I, Anne M, Collomb A, Muller J, Marezio M
 
Journal of Solid State Chemistry 37 (1981) 219-227
The Crystal Structure of a New Mixed Oxide of Iron and Vanadium, (FeV)18O35
_cod_database_code 1008121
_database_code_amcsd 0016063
10.209 9.387 6.564 100.52 94.35 98.85 P-1
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .38198 .00505 .34189  .8  .0065  .0066  .0064  .0011  .0002  .0011
V1   .38198 .00505 .34189  .2  .0065  .0066  .0064  .0011  .0002  .0011
Fe2  .41738 .30556 .20229  .8  .0113  .0062  .0058  .0006  .0000  .0016
V2   .41738 .30556 .20229  .2  .0113  .0062  .0058  .0006  .0000  .0016
V3   .70031 .00284 .16619      .0060  .0065  .0056  .0011  .0009  .0006
V4   .50781 .68489 .29032      .0063  .0061  .0055  .0020  .0010  .0010
V5   .10557 .30164 .38373      .0069  .0059  .0048  .0013  .0010  .0005
Fe3  .01298 .93745 .25177  .5  .0091  .0106  .0541  .0025  .0000 -.0082
V6   .01298 .93745 .25177  .5  .0091  .0106  .0541  .0025  .0000 -.0082
Fe4  .81805 .64649 .09079  .8 .00740  .0082  .0072  .0011  .0005  .0018
V7   .81805 .64649 .09079  .2  .0074  .0082  .0072  .0011  .0005  .0018
Fe5  .78192 .37963 .27240 .35  .0143  .0044  .0050  .0014  .0013  .0006
V8   .78192 .37963 .27240 .65  .0141  .0044  .0050  .0014  .0013  .0006
V9   .18551 .71694 .21951      .0067  .0063  .0061  .0015  .0011  .0014
O1        0      0      0     .01640  .0129  .0108  .0014  .0016  .0057
O2    .4315  .5232  .3132      .0126  .0093  .0134  .0024  .0029  .0010
O3    .0024  .7301  .1513      .0068  .0075  .0107  .0009  .0005 -.0012
O4    .6064  .3418  .2416      .0205  .0156  .0193  .0092  .0090  .0064
O5    .9879  .3871  .3109      .0102  .0104  .0107  .0037  .0008  .0013
O6    .8084  .5950  .3788      .0115  .0074  .0061  .0010  .0008 -.0008
O7    .4046  .2252  .4674      .0120  .0073  .0104  .0036  .0006  .0024
O8    .1927  .6512  .4332      .0144  .0119  .0092   .002  .0015  .0027
O9    .3860  .0807  .0776      .0115  .0088  .0092  .0007  .0007  .0020
O10   .3840  .7852  .2255      .0082  .0065  .0097  .0007  .0003  .0003
O11   .1923  .5625  .9919      .0102   .007  .0078  .0019  .0013  .0014
O12   .7808  .1679  .1474      .0114  .0076  .0150  .0002  .0031  .0002
O13   .1974  .9274  .3016      .0059  .0074  .0130  .0002 -.0005  .0002
O14   .0327  .1318  .4300      .0116  .0084  .0087  .0010  .0016  .0002
O15   .8128  .8962  .2263      .0091  .0125  .0125  .0028  .0000  .0049
O16   .6127  .6631  .0936      .0103  .0126  .0064  .0022  .0016  .0023
O17   .5875  .0171  .3575      .0081  .0114  .0078  .0010  .0009  .0028
O18   .2113  .2951  .1843      .0094  .0131  .0064  .0043  .0002  .0018
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Ba1.14 K0.72 S4 V
 
Vincent H, Anne M, Chang A, Marcus J
 
Journal of Solid State Chemistry 61 (1986) 332-337
Synthese et structure cristalline de Ba1.14 K.72 V S4
_cod_database_code 1008319
_database_code_amcsd 0016234
9.158 12.144 6.729 90 90 90 Pna2_1
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .02618 .33022    .25      .0163  .0158  .0255  .0015  .0055  .0065
K1    .3585  .5954  .2560 .72  .0257  .0553  .0314 -.0078  .0015  .0032
Ba2   .3585  .5954  .2560 .14  .0257  .0553  .0314 -.0078  .0015  .0032
V1   .76319 .57831  .2548      .0127  .0145  .0157  .0009  .0042  .0033
S1   -.0016  .5950  .2468      .0144  .0219  .0322 -.0029  .0013  .0065
S2    .1971  .0921  .2458      .0196  .0170  .0313  .0039 -.0008  .0111
S3    .3291  .3439  .0053      .0148  .0344  .0255  .0080  .0006  .0126
S4    .1758  .8431 -.0014      .0436  .0457  .0216 -.0116 -.0002 -.0136
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Fe10.99 Na2.4 O16.03
 
Vincent H, Bekka A, Anne M, Joubert J
 
Journal of Solid State Chemistry 81 (1989) 181-191
Synthese, structure cristalline,conductivite ionique, et proprietes
magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17
_cod_database_code 1008437
_database_code_amcsd 0016343
5.947 5.947 35.83 90 90 120 R-3m
atom      x       y       z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .16889 -.16889 -.06991       .0050  .0050  .0018  .0027  .0003 -.0003
Fe2       0       0  .35041 .999  .0047  .0047  .0005  .0024      0      0
Fe3       0       0  .44982       .0054  .0054  .0001  .0027      0      0
Fe4       0       0       0  .99  .0051  .0051  .0001  .0026      0      0
O1   .15604 -.15604  .03389  .92  .0047  .0047  .0001  .0013 -.0008  .0008
O2   .16404 -.16404  .23599  .95  .0045  .0045  .0032  .0024  .0009 -.0009
O3        0       0  .29639 .987  .0055  .0055  .0030  .0028      0      0
O4        0       0  .09588 .918  .0040  .0040  .0015  .0020      0      0
O5        0       0      .5       .0423  .0423  .0024  .0212      0      0
Na1    .700   -.700   .1635  .40  .1298  .1298  .0295 -.0856  .0502 -.0502
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Fe9.96 H2.47 Na1.61 O17.97 Zn0.99
 
Nicolopoulos S, Vincent H, Anne M, Joubert J
 
Journal of Solid State Chemistry 87 (1990) 298-307
Variation in crystal structure, ionic conductivity and magnetic
properties with the water uptake of a new hydrated sodium beta ferrite
_cod_database_code 1008479
_database_code_amcsd 0016379
5.9401 5.9401 35.731 90 90 120 R-3m
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Fe1  .16949 .83051 .93028 .999 .00446 .00446 .00607 .00231  .00031 -.00031
Fe2       0      0 .35066 .495 .00386 .00386 .00315 .00193       0       0
Fe3       0      0 .44981 .990 .00431 .00431 .00257 .00216       0       0
Fe4       0      0      0 .996 .00399 .00399 .00254 .00199       0       0
O1   .15482 .84518 .03398 .984 .00923 .00923 .00387 .00477 -.00038  .00038
O2   .16413 .83587 .23612 .984 .00530 .00530 .00584 .00248  .00124 -.00124
O3        0      0 .29680 .990 .00063 .00063 .00791 .00032       0       0
O4        0      0 .09631 .990 .00803 .00803 .00775 .00402       0       0
O5   .02269 .97731 .49851 .237
O6       .5     .5     .5 .160
O7    .7332  .2668 .16322 .050
Na1   .7538  .2462 .16740 .118
Na2       0      0 .17254 .450
Zn1       0      0 .35066 .495 .00386 .00386 .00315 .00193       0       0
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Li1.12 Mn1.88 O4
 
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J
 
Journal of Solid State Chemistry 135 (1998) 132-139
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron
diffraction study
_cod_database_code 1009062
_database_code_amcsd 0016923
8.2232 8.2232 8.2232 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ
Li1   .125  .125  .125
Li2     .5    .5    .5 .06
Mn1     .5    .5    .5 .94
O1   .2633 .2633 .2633
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Li1.08 Mn1.98 O4
 
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J
 
Journal of Solid State Chemistry 135 (1998) 132-139
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron
diffraction study
_cod_database_code 1009063
_database_code_amcsd 0016924
8.2449 8.2449 8.2449 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ
Li1   .125  .125  .125
Mn1     .5    .5    .5 .99
O1   .2632 .2632 .2632
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Li0.89 Mn2 O3.84
 
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J
 
Journal of Solid State Chemistry 135 (1998) 132-139
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron
diffraction study
_cod_database_code 1009064
_database_code_amcsd 0016925
5.7396 5.7396 8.6709 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z occ
Li1  0   .75  .125 .89
Mn1  0     0    .5
O1   0 .4734 .2608 .96
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Li1.198 Mn1.802 O3.972
 
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J
 
Journal of Solid State Chemistry 135 (1998) 132-139
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron
diffraction study
_cod_database_code 1009065
_database_code_amcsd 0016926
8.1491 8.1491 8.1491 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ
Li1    .125   .125   .125
Li2      .5     .5     .5 .099
Mn1      .5     .5     .5 .901
O1   .26251 .26251 .26251 .993
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Li1.288 Mn1.716 O3.732
 
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J
 
Journal of Solid State Chemistry 135 (1998) 132-139
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron
diffraction study
_cod_database_code 1009066
_database_code_amcsd 0016927
8.1634 8.1634 8.1634 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ
Li1    .125   .125   .125
Li2      .5     .5     .5 .144
Mn1      .5     .5     .5 .858
O1   .26251 .26251 .26251 .933
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Bi4 Co0.3 O10.547 V1.7
 
Muller C, Anne M, Bacmann M
 
Solid State Ionics 111 (1998) 27-36
Lattice vibrations and order-disorder transition in the oxide
anionconductor BICOVOX.15: a neutron thermodiffractometry study
_cod_database_code 1008881
_database_code_amcsd 0016748
3.92 3.92 15.5 90 90 90 I4/mmm
atom x    y     z   occ
Bi1  0    0 .1684
V1   0    0    .5 .8501
Co1  0    0    .5 .1499
O1   0   .5   .25
O2   0 .179 .4023   .25
O3   0 .425 .0341 .1592
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Total number of retrieved datasets: 16
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