|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
