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
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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
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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
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