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 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