American Mineralogist Crystal Structure Database

3 matching records for this search.

Lopezite
Download hom/lopezite.pdf
Weakley T J R, Ylvisaker E R, Yager R J, Stephens J E, Wiegel R D, Mengis M,
Wu P, Photinos P, Abrahams S C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=60&spage=705
Acta Crystallographica B60 (2004) 705-715
Phase transitions in K2Cr3O7 and structural redetermination of phase II
Locality: synthetic
Sample: Crystal 1
_database_code_amcsd 0009931
7.3807 7.4593 13.3910 96.205 98.033 90.914 P-1
atom       x       y       z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Cr1   .59179  .76891  .60724  .0190  .0207  .0186  .00273 .00384 .00238
Cr2   .79289  .80674  .41375  .0181  .0203  .0188  .00215 .00358 .00476
Cr3   .81711  .42584  .11354  .0192  .0183  .0185 -.00111 .00035 .00206
Cr4   .81344  .15250 -.08323  .0171  .0182  .0197  .00068 .00301 .00111
K1    .10341  .66917  .64038  .0375  .0315  .0237  -.0073  .0020  .0055
K2    .25001  .76710  .34950  .0327  .0273  .0290  -.0025  .0094 .00208
K3    .66252 -.08518  .15847  .0236  .0243  .0261 -.00002 .00360  .0090
K4    .69509  .65240 -.13583  .0373  .0302  .0278   .0102  .0035  .0023
O1     .7201   .6124  .64937  .0328  .0319  .0380   .0093 -.0001  .0100
O2     .5550   .9102  .70198  .0434  .0336  .0294   .0031  .0162 -.0029
O3     .4024   .6849  .54525  .0264  .0461  .0338  -.0043 -.0020  .0044
O4     .7076   .8937  .52700  .0381  .0248  .0294   .0010  .0168  .0027
O5     .9595   .6749  .44295  .0272  .0328  .0274   .0107  .0032  .0068
O6     .8687   .9709  .36065  .0423  .0280  .0324  -.0014  .0109  .0117
O7     .6345   .6952  .33667  .0273  .0438  .0344  -.0053 -.0018 -.0003
O8     .6891   .2927  .16402  .0302  .0290  .0336  -.0070  .0084  .0045
O9     .9757   .5181  .19989  .0301  .0366  .0220  -.0105  .0000 -.0010
O10    .6948   .5751  .06114  .0407  .0317  .0310   .0140  .0024  .0053
O11    .9299   .2957  .02274  .0195  .0269  .0254   .0000  .0004 -.0026
O12    .6919  -.0006 -.04330  .0368  .0245  .0278  -.0078  .0055  .0046
O13    .9600   .0608 -.14886  .0290  .0431  .0396   .0067  .0123 -.0068
O14    .6770   .2738 -.15168  .0269  .0249  .0286   .0022 -.0016  .0065
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View JMOL 3-D Structure (permalink)
 
Lopezite
Download hom/lopezite.pdf
Weakley T J R, Ylvisaker E R, Yager R J, Stephens J E, Wiegel R D, Mengis M,
Wu P, Photinos P, Abrahams S C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=60&spage=705
Acta Crystallographica B60 (2004) 705-715
Phase transitions in K2Cr3O7 and structural redetermination of phase II
Locality: synthetic
Sample: Crystal 2
_database_code_amcsd 0009932
7.3837 7.4622 13.3949 96.204 98.046 90.943 P-1
atom       x       y       z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cr1   .59177  .76886  .60724  .0186  .0208  .0189  .0025  .0038  .0025
Cr2   .79290  .80680  .41370  .0179  .0206  .0188  .0021  .0039  .0048
Cr3   .81703  .42577  .11362  .0187  .0184  .0188 -.0013  .0003  .0019
Cr4   .81338  .15247 -.08318  .0167  .0183  .0200  .0003  .0030  .0010
K1    .10346  .66920  .64034  .0371  .0311  .0243 -.0073  .0021  .0055
K2    .25016  .76715  .34962  .0322  .0268  .0291 -.0030  .0099  .0020
K3    .66245 -.08530  .15847  .0234  .0244  .0259 -.0003  .0036  .0008
K4    .69492  .65228 -.13585  .0374  .0296  .0278  .0103  .0039  .0022
O1     .7196   .6125   .6490  .0320  .0309  .0400  .0097 -.0003  .0100
O2     .5547   .9100   .7017  .0420  .0346  .0304  .0037  .0152 -.0026
O3     .4024   .6852   .5451  .0274  .0450  .0334 -.0046 -.0022  .0064
O4     .7076   .8928  .52682  .0368  .0248  .0320  .0016  .0165  .0028
O5     .9591   .6753  .44298  .0276  .0316  .0285  .0115  .0034  .0064
O6     .8688   .9716   .3608  .0410  .0273  .0318 -.0026  .0097  .0098
O7     .6344   .6951   .3365  .0287  .0430  .0331 -.0042 -.0020  .0007
O8     .6890   .2929   .1638  .0298  .0291  .0320 -.0064  .0081  .0036
O9     .9756   .5180  .20002  .0300  .0358  .0221 -.0102  .0000 -.0012
O10    .6949   .5755   .0612  .0416  .0291  .0313  .0130  .0024  .0048
O11    .9293   .2959  .02274  .0182  .0270  .0260 -.0010 -.0002 -.0014
O12    .6919  -.0003 -.04335  .0360  .0245  .0276 -.0072  .0047  .0036
O13    .9604   .0612  -.1486  .0291  .0411  .0390  .0070  .0130 -.0064
O14    .6774   .2736 -.15180  .0263  .0250  .0300  .0020 -.0017  .0047
Download AMC data (View Text File)
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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)
 
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Total number of retrieved datasets: 3
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