American Mineralogist Crystal Structure Database

7 matching records for this search.

RbFeSi3O8
 
Brunton G D, Harris L A, Kopp O C
Download am/vol57/AM57_1720.pdf
American Mineralogist 57 (1972) 1720-1728
Crystal structure of a rubidium iron feldspar
_database_code_amcsd 0000297
8.952 13.127 7.359 90.05 116.47 89.35 C-1
atom      x       y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Rb1  .29248 -.00054 .14784       .0077 .00352  .0115  .00016 .00418  .00158
Si1o  .0071 -.80854  .2190 .513  .0054 .00213  .0073  .00082  .0033  .00067
Fe1o  .0071 -.80854  .2190 .487  .0054 .00213  .0073  .00082  .0033  .00067
Si1m  .0073 -.19027  .2228 .611  .0057 .00227  .0079 -.00029  .0035 -.00076
Fe1m  .0073 -.19027  .2228 .389  .0057 .00227  .0079 -.00029  .0035 -.00076
Si2o  .7202  -.8808  .3422 .890  .0068 .00200  .0071   .0003  .0031  -.0001
Fe2o  .7202  -.8808  .3422 .110  .0068 .00200  .0071   .0003  .0031  -.0001
Si2m  .7197  -.1178  .3443 .898  .0065 .00191  .0068   .0004  .0029   .0003
Fe2m  .7197  -.1178  .3443 .102  .0065 .00191  .0068   .0004  .0029   .0003
OA1   .6657   .0008  .2821       .0165  .0023  .0128   .0003  .0011  -.0003
OA2   .0002  -.1482  .0051       .0068  .0033  .0228  -.0004  .0039  -.0009
OBo   .8217  -.8422  .2228       .0116  .0057  .0175  -.0005  .0100  -.0021
OBm   .8242  -.1576  .2272       .0133  .0057  .0213   .0010  .0135   .0027
OCo   .0467  -.6799  .2633       .0090  .0033  .0116  -.0003  .0038   .0003
OCm   .0458  -.3172  .2671       .0078  .0035  .0115   .0004  .0031  -.0008
ODo   .1736  -.8749  .4114       .0097  .0028  .0072   .0005  .0027   .0003
ODm   .1702  -.1264  .4138       .0090  .0026  .0074   .0000  .0012   .0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Callaghanite
Download hom/callaghanite.pdf
Brunton G D
Download am/vol58/AM58_965.pdf
American Mineralogist 58 (1973) 965-965
Refinement of the callaghanite structure
_database_code_amcsd 0000388
10.0060 11.7520 8.2132 90 107.38 90 C2/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Cu   .04844 .10820 .45595 .00171 .00091 .00390 -.00015 .00087  .00022
Mg   .15640 .31527 .32767 .00156 .00114 .00363 -.00003 .00053  .00023
C         0  .5395    .25  .0023  .0011  .0040       0  .0007       0
O1    .1165  .4860  .2787  .0025 .00134  .0083  .00031  .0007  .00004
O2        0  .6487    .25  .0033 .00107  .0099       0  .0024       0
OH1   .0169  .2648  .0987 .00212 .00140  .0037 -.00010 .00080 -.00033
OH2   .1153  .9511  .4962 .00226 .00133  .0055 -.00011 .00131  .00017
OH3   .2225 .15247  .4171 .00184 .00141  .0041 -.00007 .00098  .00014
Wat   .3328  .3271  .2481  .0028 .00211  .0056  .00037  .0021  .00049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Paulmooreite
Download hom/paulmooreite.pdf
Araki T, Moore P B, Brunton G D
Download am/vol65/AM65_340.pdf
American Mineralogist 65 (1980) 340-345
The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups
_database_code_amcsd 0000778
13.584 5.650 8.551 90 108.78 90 P2_1/a
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Pb1  .87944 .34777 .85850 .00210 .01403 .00522 -.00028 .00068 -.00074
Pb2  .19928 .65316 .65005 .00202 .01342 .00609 -.00045 .00102 0.00062
As1  .93649 .87122 .61423 .00183 .01206 .00520 -.00014 .00119 0.00057
As2  .12882 .12912 .88433 .00186 .01284 .00550 0.00052 .00123 -.00024
O1    .8488  .6698  .6518 .00221 .01195 .00885 -.00071 .00155 -.00120
O2    .8642  .1238  .6227 .00206 .01297 .00607 0.00091 .00087 -.00099
O3    .0316  .8904  .8209 .00193 .02612 .00593 -.00417 .00022 0.00158
O4    .2060  .0530  .7597 .00210 .01800 .00801 -.00066 .00289 -.00115
O5    .1999  .9990  .0698 .00295 .01989 .00434 -.00163 .00014 0.00029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferruccite
Download hom/ferruccite.pdf
Brunton G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=24&spage=1703
Acta Crystallographica B24 (1968) 1703-1704
Refinement of the structure of NaBF4
Locality: synthetic
_database_code_amcsd 0009350
6.8368 6.2619 6.7916 90 90 90 Cmcm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na       0 .6552   .25  .0136  .0121  .0089      0      0      0
B        0 .1608   .25  .0085  .0078  .0076      0      0      0
F1       0 .2920 .0846  .0185  .0137  .0087      0      0   0029
F2   .1644 .0312   .25  .0121  .0156  .0201  .0054      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Avogadrite
Download hom/avogadrite.pdf
Brunton G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=25&spage=2161
Acta Crystallographica B25 (1969) 2161-2162
The crystal structure of KBF4
_database_code_amcsd 0009363
8.6588 5.4800 7.0299 90 90 90 Pnma
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
K    .18449   .25 .1611  .0037  .0183  .0116      0 -.00014      0
B     .0626   .25 .6897  .0038  .0142  .0111      0  -.0009      0
F1    .1789   .25 .5560  .0110  .0287  .0153      0   .0050      0
F2   -.0814   .25 .6049  .0075  .0385  .0245      0  -.0071      0
F3    .0774 .0440 .8039  .0092  .0173  .0165 -.0001   .0008  .0042
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lopezite
Download hom/lopezite.pdf
Brunton G
 
Materials Research Bulletin 8 (1973) 271-274
Refinement of the structure of K2Cr2O7
Locality: synthetic
_database_code_amcsd 0014228
7.4200 13.399 7.3845 98.03 90.88 96.18 P-1
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
K1   .66919 .14053  .1038  .0119 .00241  .0141 .00100 -.00337 .00039
K2   .23292 .15052 .74983  .0106 .00307  .0126 .00040 -.00145 .00199
K3   .34729 .63594  .3046  .0114 .00294  .0142 .00042   .0030 .00069
K4   .08500 .34153 .33748  .0096 .00277  .0090 .00011 -.00069 .00068
Cr1  .19317 .08615 .20690 .00797 .00193 .00720 .00086  .00016 .00073
Cr2  .76885 .10722 .59195 .00827 .00196 .00726 .00041  .00028 .00076
Cr3  .84734 .58327 .18665 .00736 .00204 .00666 .00018 -.00043 .00058
Cr4  .57394 .38661 .18305 .00748 .00186 .00755 .00032 -.00103 .00003
O1    .3250  .0570  .0410  .0117  .0031  .0102  .0013   .0032  .0007
O2    .0295  .1395  .1312  .0114  .0035  .0151  .0024  -.0012  .0024
O3    .1068  .9732  .2919  .0093  .0032  .0143  .0006  -.0002  .0033
O4    .3049  .1630  .3652  .0171  .0036  .0105 -.0002  -.0035 -.0007
O5    .3878  .8508  .2793  .0118  .0042  .0122  .0022   .0037  .0004
O6    .0903  .7981  .4451  .0133  .0030  .0159 -.0009   .0007  .0030
O7    .3153  .9547  .5979  .0167  .0035  .0093  .0011  -.0024 -.0005
O8    .7037  .4774  .0703  .0104  .0026  .0071 -.0006  -.0008  .0002
O9    .4816  .3000  .0241  .0133  .0023  .0116 -.0001  -.0046 -.0005
O10   .7066  .3362  .3113  .0107  .0035  .0114  .0007  -.0032  .0018
O11   .4243  .4395  .3049  .0115  .0031  .0158  .0011   .0038  .0003
O12  -.0003  .5432  .3079  .0093  .0031  .0130  .0009  -.0031  .0008
O13   .7262  .6520  .3229  .0103  .0028  .0101  .0009  -.0003 -.0004
O14   .9388  .6487  .0398  .0154  .0042  .0115 -.0019   .0012  .0027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Katoptrite
Download hom/katoptrite.pdf
Moore P B, Araki T, Brunton G D
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 127 (1976) 47-61
Catoptrite, (Mn2+5Sb5+2)VI(Mn2+8Al4Si2)IVO28,
a novel close-packed oxide sheet structure
Locality: Langban, Sweden
_database_code_amcsd 0014705
5.617 23.02 9.079 90 101.38 90 C2/m
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mn1      0     0     0  .0166  .0006 .00048      0      0      0
Mn2      0 .2867     0  .0060  .0007  .0138      0  .0041      0
Mn3      0 .4271     0  .0140  .0008  .0047      0  .0011      0
Sb       0 .1418     0  .0048  .0005  .0039      0  .0011      0
Mn4  .7840 .1436 .3630  .0122  .0009  .0055  .0000  .0015  .0002
Mn5  .2778 .0698 .3447  .0125  .0005   .053  -.001  .0010 -.0003
Al   .2739 .2143 .3341  .0121  .0013  .0109  .0000  .0081 -.0002
Si   .7702     0 .3210  .0186  .0004  .0035      0  .0007      0
O1   .6935     0 .1239  .0102  .0010  .0067      0  .0024      0
O2   .1993 .0758 .1155  .0164  .0013  .0049 -.0021  .0019 -.0002
O3   .7320 .1418 .1196  .0146  .0011  .0045 -.0001 -.0008  .0001
O4   .1896 .2091 .1173  .0136  .0009  .0049 -.0008 -.0007 -.0003
O5   .0667     0 .3527  .0320  .0016  .0058      0 .00001      0
O6   .6476 .0613 .3794  .0195  .0019  .0095  .0001  .0040 -.0001
O7    .599 .2216 .3654  .0347  .0010  .0140 -.0010  .0075 -.0001
O8   .1607 .1486 .3961  .0208  .0013  .0075  .0003  .0013 -.0008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 7
View in amc, download in amc

Return to AMCSD Home Page