American Mineralogist Crystal Structure Database

4 matching records for this search.

Na1.265Mn3.475(PO4)3
 
Yakubovich O V, Massa W, Gavrilenko P G, Dimitrova O V
 
European Journal of Mineralogy 17 (2005) 741-747
The crystal structure of a new synthetic member in the
wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3
Note: Uiso's for Mn2 and Mn3 corrected by authors
_database_code_amcsd 0007131
6.5291 12.653 10.952 90 97.18 90 P2_1/c
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1X2   .2468  .0182  .5007 .854 .0322  .0398  .0425  .0162 -.0005  .0108 -.0029
Na2X1a     .5     .5     .5 .411 .0344   .051  .0150  .0442 -.0051  .0354 -.0015
Mn1M1  .76656 .26564 .49928      .0095  .0086  .0121  .0071  .0010 -.0018 -.0009
Mn2M2a .08817 .14513 .72576      .0070  .0055  .0115  .0039 -.0007  .0004 -.0012
Mn3M2b .42027 .16786 .28292      .0076  .0077  .0086  .0063 -.0008 -.0007  .0002
Mn4X1b  .0266  .5028  .5130 .475 .0136   .029  .0057  .0083 -.0033  .0104 -.0033
P1      .6195 .40115 .23241      .0074  .0039  .0131  .0053  .0013  .0009 -.0012
P2      .0915 .88358 .73581      .0061  .0079  .0062  .0047 -.0002  .0026 -.0003
P3      .2655 .28952 .50696      .0052  .0046  .0070  .0044  .0001  .0015  .0003
O1      .4221  .3345  .2312      .0166  .0048  .0347  .0107 -.0014  .0020 -.0009
O2      .0508  .9885  .6700      .0131  .0161  .0105  .0125  .0015  .0011  .0002
O3      .1557  .6013  .3754      .0093  .0116  .0108  .0055  .0004  .0003  .0008
O4      .1633  .3743  .4198      .0124  .0156  .0126  .0092  .0066  .0015  .0010
O5      .4385  .0095  .3255      .0182  .0181  .0248  .0119 -.0130  .0019 -.0040
O6      .3862  .3552  .6108      .0159  .0200  .0159  .0109 -.0098 -.0013  .0008
O7      .2606  .8251  .6757      .0123  .0164  .0118  .0103 -.0003  .0075 -.0023
O8      .1036  .1862  .2816      .0111  .0122  .0139  .0070 -.0054  .0004 -.0011
O9      .4341  .2239  .4529      .0097  .0059  .0164  .0074  .0030  .0026  .0017
O10     .0988  .2161  .5443      .0078  .0055  .0126  .0054 -.0028  .0017  .0003
O11     .7645  .3466  .1508      .0120  .0074  .0169  .0128 -.0010  .0054 -.0044
O12     .7266  .4102  .3660      .0143  .0164  .0159  .0094  .0017 -.0029 -.0002
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Pb2[B5O9]Br
 
Yakubovich O V, Mochenova N N, Dimitrova O V, Massa W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=127
Acta Crystallographica E60 (2004) i127-i130
Reinvestigation of the Pb2[B5O9]Br structure based on single-crystal data
_database_code_amcsd 0010437
11.4935 11.4717 6.5297 90 90 90 Pnn2
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .25762 .04280  .00433 .01489  .0172  .0170  .0105  .0011  .0010  .0004
Pb2  .02631 .23505 -.66205 .01614  .0187  .0179  .0118 -.0013  .0034  .0000
B1    .2706  .3217   -.795   .008
B2    .1803  .3009   -.146   .012
B3    .2864  .2180   -.460   .010
B4    .4556  .2354   -.683   .011
B5    .2513  .4950   -.019   .009
O1    .2376  .3135  -.5784  .0030
O2    .2084  .4248   -.173  .0108
O3    .2717  .2256  -.2448  .0079
O4    .0686  .2753  -.2398   .017
O5    .2790  .4487   -.835   .015
O6    .3827  .2616  -.8357  .0092
O7    .1785  .2698  -.9231  .0046
O8    .4168  .2110  -.4921  .0090
O9    .2339  .1103  -.5577  .0106
Br1       0      0  -.9081  .0289  .0202  .0154  .0511 -.0011      0      0
Br2       0     .5  -.6476  .0259  .0188  .0179  .0411  .0002      0      0
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Pyromorphite
Download hom/pyromorphite.pdf
Barinova A V, Bonin M, Pushcharovsky D Y, Rastsvetaeva R K, Schenk K,
Dimitrova O V
 
Crystallography Reports 43 (1998) 189-192
Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH)
Locality: synthetic
Note: y(O3) corrected
_database_code_amcsd 0012355
9.774 9.774 7.291 90 90 120 P6_3/m
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb1    1/3   2/3  .4973  .95  .0038  .0038  .0029  .0019      0      0
Pb2  .2364 .2319    .25 1.37  .0029  .0034  .0112  .0038      0      0
P    .4045 .0231    .25   .4  .0015  .0007  .0021  .0009      0      0
O1   .3256 .8415    .25   .5  .0028  .0017  .0005  .0018      0      0
O2   .5860 .1005    .25  1.1  .0017  .0042  .0073  .0025      0      0
O3   .3541 .0813 .08132  1.2  .0045  .0031  .0059  .0038 -.0068 -.0016
OH       0     0      0  4.3  .0058  .0058  .0446  .0029      0      0
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Abellaite
 
Belokoneva E L, Al'-Ama A G, Dimitrova O V, Kurazhkovskaya V S, Stefanovich S Y
 
Crystallography Reports 47 (2002) 217-222
Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH)
Locality: Synthetic
_database_code_amcsd 0020513
5.268 5.268 13.48 90 90 120 P31c
atom    x    y     z Biso
Na1   2/3  1/3 .8927 1.59
Pb1   2/3  1/3 .5570  .85
Pb2   2/3  1/3 .2258  .90
C1      0    0  .035  .44
C2      0    0  .276  .32
OH1   2/3  1/3  .388 1.47
O2   .151 .288  .536 1.20
O3   .276 .141  .755  .83
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Total number of retrieved datasets: 4
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