American Mineralogist Crystal Structure Database

3 matching records for this search.

Hydrocerussite
Download hom/hydrocerussite.pdf
Martinetto P, Anne M, Dooryhee E, Walter P, Tsoucaris G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=58&spage=82
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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O7 Si2 Sm2
 
Norlund Christensen A, Frost Jensen A, Kruse Themsen B, Gronbaek Hazell R, Hanfland M, Dooryhee E
 
Acta Chemica Scandinavica 51 (1997) 1178-1185
Structure investigations of the high-temperature phases of La2 Si2 O7,
Gd2 Si2 O7 and Sm2 Si2 O7
_cod_database_code 1008805
_database_code_amcsd 0016676
8.553 12.849 5.392 91.08 88.61 89.68 P-1
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sm1   .1854 .7678  .2418  .0095  .0057  .0061  .0005  .0020  .0001
Sm2   .4009 .5916  .7565  .0074  .0058  .0045  .0006 -.0002  .0007
Sm3   .2987 .2662  .7568  .0089  .0070  .0066 -.0005 -.0013 -.0017
Sm4   .1029 .0886  .2588  .0072  .0056  .0048 -.0007  .0000  .0006
Si1  -.0029 .3201  .2804  .0125  .0040  .0048 -.0018 -.0026  .0016
Si2   .2489 .9762  .7135  .0075  .0050  .0047  .0024  .0007  .0004
Si3   .2459 .4794  .2158  .0139  .0018  .0052  .0003 -.0017 -.0003
Si4   .5038 .8218  .7807  .0078  .0084  .0056 -.0009  .0011  .0032
O1    .3517 .4200 -.0025  .0076  .0169  .0080 -.0047 -.0058 -.0021
O2    .1444 .9203  .4933  .0133  .0093  .0070  .0003  .0001 -.0004
O3    .0812 .2585  .5078  .0059  .0131  .0000  .0009 -.0105 -.0034
O4    .8175 .3235  .3733  .0050  .0186  .0039  .0083 -.0051  .0123
O5    .0237 .2478  .0317  .0093  .0111  .0133  .0001  .0067  .0035
O6    .4135 .7627  .0046  .0130  .0053  .0225 -.0052  .0127  .0058
O7    .2428 .0961  .6399  .0160  .0006  .0237 -.0018 -.0114 -.0006
O8    .6778 .8345  .8794  .0110  .0098  .0109 -.0026  .0048  .0058
O9    .2428 .5958  .1282  .0026  .0093  .0140  .0016  .0024 -.0064
O10   .0691 .4369  .2350  .0117  .0240  .0268  .0034 -.0003  .0151
O11   .3435 .4621  .4625  .0214  .0184  .0036  .0016  .0014  .0017
O12   .4992 .7448  .5372  .0151  .0124  .0179 -.0025  .0020 -.0024
O13   .1524 .9495  .9693  .0159  .0205  .0062 -.0103  .0027 -.0032
O14   .4275 .9354  .7187  .0076  .0119  .0263 -.0049  .0025  .0120
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H4 O11 P2 Ti2
 
Salvado M, Pertierra P, Garcia-Granda S, Garcia J, Fernandez-Diaz M, Dooryhee E
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1237-1247
Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2
determined from synchrotron X-ray and neutron powder data
_cod_database_code 1008806
_database_code_amcsd 0016677
5.1147 8.8258 9.6627 73.323 86.173 86.330 P-1
atom     x     y     z
Ti1   .256  .264  .661
Ti2   .944  .123  .202
P1    .782  .335  .431
P2    .739  .177  .885
O1    .049  .299  .494
O2    .299  .494  .617
O3    .478  .244  .831
O4    .566  .246  .544
O5   -.051  .280  .789
O6    .226  .047  .704
O7    .794  .264  .301
O8     .75  .198  .036
O9    .209 -.008  .116
O10   .206  .312  .079
O11   .239  .079  .357
H1    .171  .320 -.027
H2    .400  .297  .078
H3    .603 -.011  .641
H4    .240  .137  .429
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Total number of retrieved datasets: 3
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