Lopezite
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
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