Lopezite
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