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Colusite |
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Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
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American Mineralogist 79 (1994) 750-762 |
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New occurrences and refined crystal chemistry of colusite, with comparisons to |
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arsenosulvanite |
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Sample: Sn-rich, crystal 2 |
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_database_code_amcsd 0001671 |
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10.621 10.621 10.621 90 90 90 P-43n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V 0 0 0 .0096 .0096 .0096 0 0 0 |
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Cu1 .2570 0 0 .0124 .0152 .0257 0 0 .0050 |
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Cu2 .2495 .2495 .2495 .0264 .0264 .0264 .0012 .0012 .0012 |
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Cu3 .25 0 .5 .0112 .0285 .0285 0 0 0 |
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As .25 .5 0 .64 .0173 .0066 .0066 0 0 0 |
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Sn .25 .5 0 .36 .0173 .0066 .0066 0 0 0 |
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S1 .1192 .1192 .1192 .0186 .0186 .0186 -.0015 -.0015 -.0015 |
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S2 .3704 .3734 .1220 .0140 .0061 .0207 -.0020 .0001 -.0004 |
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Arsenosulvanite |
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Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
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American Mineralogist 79 (1994) 750-762 |
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New occurrences and refined crystal chemistry of colusite, with comparisons to |
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arsenosulvanite |
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Sample: Sn-poor, crystal 1 |
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_database_code_amcsd 0001672 |
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10.538 10.538 10.538 90 90 90 P-43n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V 0 0 0 .0079 .0079 .0079 0 0 0 |
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Cu1 .2592 0 0 .0136 .0228 .0191 0 0 -.0047 |
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Cu2 .2513 .2513 .2513 .735 .0194 .0194 .0194 .0012 .0012 .0012 |
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Cu3 .25 0 .5 .0262 .0269 .0269 0 0 0 |
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As .25 .5 0 .0064 .0077 .0077 0 0 0 |
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S1 .1209 .1209 .1209 .0088 .0088 .0088 -.0004 -.0004 -.0004 |
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S2 .3655 .3742 .1208 .0286 .0090 .0144 .0065 -.0065 -.0008 |
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CrFe(C5H5)(C11H80)Cl(NO)2 |
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Wang Y P, Hwu J M, Wang S L |
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Acta Crystallographica C46 (1990) 2305-2308 |
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Structure of Cl(NO)2Cr(n5-C5H4)C(O)(n5-C5H4)Fe(n5-C5H5) |
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_database_code_amcsd 0010221 |
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10.938 12.487 12.460 90 111.43 90 P2_1/c |
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atom x y z Uiso |
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Fe .7531 .5788 .1087 .026 |
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Cr .2491 .6076 .4403 .030 |
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Cl .4493 .6507 .5802 .075 |
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O .9799 .8174 .2615 .050 |
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O1 .0747 .6954 .5396 .084 |
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O2 .2030 .3899 .4879 .085 |
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N1 .1535 .6622 .5088 .045 |
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N2 .2315 .4779 .4785 .047 |
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C .9855 .7193 .2628 .032 |
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C11 .8700 .6548 .2545 .032 |
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C12 .7422 .7000 .2156 .036 |
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C13 .6512 .6170 .2144 .038 |
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C14 .7246 .5208 .2528 .035 |
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C15 .8584 .5421 .2759 .032 |
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C21 .1140 .6699 .2751 .032 |
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C22 .2305 .7337 .3103 .040 |
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C23 .3364 .6659 .3128 .050 |
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C24 .2857 .5610 .2813 .045 |
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C25 .1506 .5634 .2586 .035 |
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C31 .8324 .5987 -.0141 .055 |
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C32 .7069 .6422 -.0529 .048 |
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C33 .6173 .5594 -.0552 .041 |
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C34 .6907 .4649 -.0183 .040 |
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C35 .8235 .4885 .0076 .049 |
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Effenbergerite |
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Lin H C, Liao F L, Wang S L |
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Acta Crystallographica C48 (1992) 1297-1299 |
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Structure of BaCuSi4O10 |
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Locality: synthetic |
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_database_code_amcsd 0018737 |
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7.440 7.440 16.097 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z Uiso |
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Cu .75 .75 -.0944 .009 |
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Ba .75 .25 0 .012 |
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Si .9822 -.0618 .1543 .009 |
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O1 .7763 -.0007 .1365 .016 |
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O2 .0247 -.0247 .25 .031 |
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O3 .4688 .1130 .0909 .017 |
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Co(VO)2(PO4)2*4H2O |
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Kang H Y, Lee W C, Wang S L |
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Inorganic Chemistry 31 (1992) 4743-4748 |
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Hydrothermal synthesis and structural characterization of four layered |
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vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) |
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Locality: synthetic |
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_database_code_amcsd 0012704 |
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6.264 6.264 13.428 90 90 90 I4/mmm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co .5 .5 0 .013 .014 .014 .011 0 0 0 |
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V .5 .5 .7219 .006 .005 .005 .007 0 0 0 |
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P 0 .5 .75 .006 .005 .005 .008 0 0 0 |
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O1 .5 .5 .841 .018 .020 .020 .014 0 0 0 |
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O2 .803 .5 .6824 .018 .012 .033 .010 0 -.001 0 |
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O3 .782 .684 0 .5 .030 .027 .042 .021 -.011 0 0 |
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Sincosite |
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Kang H Y, Lee W C, Wang S L |
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Inorganic Chemistry 31 (1992) 4743-4748 |
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Hydrothermal synthesis and structural characterization of four layered |
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vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) |
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Locality: synthetic |
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_database_code_amcsd 0012705 |
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6.3484 6.350 6.597 106.81 94.09 90.02 P1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .6502 .9010 .4983 .0157 .0136 .0220 .0147 .0070 .0061 .0092 |
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V1 .3422 .8625 .9413 .0058 .0060 .0054 .0061 .0014 .0007 .0014 |
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V2 .8504 .4292 .1218 .0059 .0061 .0059 .0058 .0014 .0006 .0012 |
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P1 .3425 .3978 .0367 .0061 .0054 .0063 .0069 .0010 -.0003 .0024 |
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P2 .8430 .8987 .0235 .0056 .0060 .0041 .0059 .0013 .0009 .0005 |
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O1 .3839 .9241 .1944 .012 .0127 .0145 .0073 .0008 .0008 .0007 |
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O2 .3508 .5342 .8775 .010 .0171 .0055 .0086 .0030 .0026 .0026 |
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O3 .0313 .8279 .8876 .010 .0061 .0129 .0103 .0015 .0020 .0009 |
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O4 .3142 .1589 .8991 .011 .0162 .0062 .0102 .0022 .0012 .0027 |
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O5 .6473 .8743 .8653 .009 .0058 .0124 .0099 .0031 .0012 .0032 |
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O6b .3090 .7744 .5608 .012 .0131 .0127 .0090 .0039 .0003 .0022 |
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H6A .2599 .8897 .5531 .050 |
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H6B .2517 .6506 .4537 .050 |
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O7 .8354 .3571 -.1299 .017 .0198 .0192 .0104 .0070 .0020 .0034 |
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O8 .8192 .7560 .1738 .0087 .0087 .0072 .0095 .0018 .0028 .0021 |
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O9 .1632 .4687 .1868 .0099 .0050 .0116 .0115 .0021 .0006 .0019 |
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O10 .5459 .4344 .1875 .010 .0065 .0147 .0106 .0018 .0011 .0053 |
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O11 .8708 .1351 .1720 .0098 .0157 .0037 .0090 .0007 -.0012 .0003 |
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O12b .8516 .5597 .5017 .014 .0136 .0154 .0121 -.0009 .0015 .0047 |
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H12A .7724 .4634 .5401 .050 |
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H12B .9718 .5109 .5369 .050 |
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O13b .5340 .2701 .5342 .016 .0210 .0161 .0101 .0015 .0019 .0012 |
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H13A .4124 .3535 .6235 .050 |
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H13B .5388 .3256 .4191 .050 |
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O14b .0079 .0624 .5403 .017 .0184 .0191 .0129 .0082 .0014 .0029 |
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H14A .0078 .1522 .4607 .050 |
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H14B .0706 -.0356 .4631 .050 |
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Sr(VO)2(PO4)2*4(H2O) |
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Kang H Y, Lee W C, Wang S L |
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Inorganic Chemistry 31 (1992) 4743-4748 |
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Hydrothermal synthesis and structural characterization of four layered |
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vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) |
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Locality: synthetic |
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_database_code_amcsd 0012706 |
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9.026 9.010 12.841 90 100.19 90 Cc |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr .73479 .1909 .27927 .0136 .0140 .0158 .0106 -.0003 .0012 .0034 |
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V1 .8576 .1068 .9834 .0074 .0061 .0081 .0082 -.0002 .0016 -.0001 |
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V2 .8826 .6111 .0722 .0072 .0063 .0062 .0093 .0000 .0017 .0012 |
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P1 .6214 .3563 .0259 .0074 .0076 .0072 .0079 -.0002 .0030 -.0006 |
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P2 .6216 .8566 .0278 .0067 .0063 .0076 .0064 .0003 .0017 .0011 |
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O1 .875 .1131 .1093 .014 .0129 .0221 .0060 -.0057 -.0020 -.0062 |
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O2 .700 .2662 .9470 .014 .0155 .0117 .0132 .0024 .0019 -.0015 |
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O3 .998 -.0544 .9548 .015 .0163 .0106 .0159 .0031 -.0009 .0003 |
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O4 .6966 -.0497 .9509 .010 .0155 .0097 .0067 -.0047 .0043 -.0053 |
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O5 .011 .2545 .9545 .012 .0093 .0125 .0137 -.0019 .0004 .0053 |
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O6 .847 .6225 .9477 .017 .0133 .0138 .0254 -.0059 .0084 -.0055 |
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O7 .735 .4563 .0963 .015 .0191 .0204 .0086 -.0065 .0114 -.0062 |
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O8 .738 .7674 .1045 .013 .0215 .0120 .0066 .0046 .0010 .0026 |
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O9 .044 .4556 .0999 .014 .0137 .0191 .0096 .0064 .0013 .0008 |
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O10 .557 .2542 .1023 .011 .0169 .0117 .0016 -.0011 -.0035 .0019 |
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O11b .8324 .0874 .7912 .015 .0121 .0161 .0158 .0008 -.0033 .0013 |
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H11A .7737 .134 .7196 .050 |
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H11B .9241 .0667 .7626 .050 |
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O12b .945 .6017 .2603 .015 .0186 .0146 .0237 -.0092 .0047 -.0053 |
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H12A .9626 .6442 .3258 .050 |
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H12B .8457 .5566 .2384 .050 |
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O13b .624 .4597 .2780 .016 .0172 .0217 .0090 .0006 .0042 -.0057 |
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H13A .633 .5436 .3234 .050 |
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H13B .5866 .4978 .2065 .050 |
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O14b .990 .307 .2777 .019 .0186 .0146 .0237 -.0093 .0047 -.0053 |
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H14A .0529 .2848 .2374 .050 |
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H14B .9869 .4099 .2824 .050 |
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Pb(VO)2(PO4)2*4(H2O) |
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Kang H Y, Lee W C, Wang S L |
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Inorganic Chemistry 31 (1992) 4743-4748 |
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Hydrothermal synthesis and structural characterization of four layered |
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vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) |
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Locality: synthetic |
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_database_code_amcsd 0012707 |
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9.030 9.021 12.874 90 100.16 90 Cc |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .73479 .19037 .27927 .0195 .0164 .0184 .0232 .0000 .0019 .0050 |
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V1 .8570 .1096 .9829 .081 .0079 .0065 .0103 .0004 .0027 .0001 |
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V2 .8805 .6120 .0718 .088 .0055 .0079 .0120 -.0001 -.0010 .0006 |
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P1 .6193 .3583 .0252 .085 .0054 .0080 .0111 .0013 -.0007 -.0007 |
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P2 .6190 .8591 .0272 .085 .0055 .0085 .0117 .0018 .0021 .0002 |
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O1 .876 .113 .1086 .017 .0181 .0243 .0069 -.0057 -.0047 .0039 |
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O2 .697 .268 .9471 .014 .0160 .0112 .0166 .0034 .0050 .0041 |
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O3 .996 -.053 .9549 .013 .0145 .0126 .0106 .004 -.0051 .0036 |
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O4 .694 -.046 .9498 .014 .0084 .0143 .0182 -.0040 .0029 -.0032 |
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O5 .008 .258 .9541 .013 .0082 .0100 .0198 -.0049 .0004 .0012 |
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O6 .846 .622 .947 .019 .0155 .0245 .0182 -.0008 .0049 -.0014 |
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O7 .731 .459 .0972 .013 .0133 .0140 .0141 -.0066 .0051 .0008 |
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O8 .735 .768 .1033 .012 .0131 .0116 .0100 .0093 .0005 -.0036 |
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O9 .039 .457 .0974 .012 .0130 .0118 .0125 .0012 .0054 .0025 |
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O10 .552 .256 .1013 .012 .0100 .0137 .0110 -.0012 -.0017 .0044 |
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O11b .829 .091 .7915 .015 .0134 .0175 .0149 .0042 .0009 .0005 |
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H11A .762 .1107 .7403 .050 |
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O12b .937 .601 .2586 .017 .0280 .0143 .0108 .0054 .0071 .0010 |
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H12A .9899 .7072 .2733 .050 |
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H12B .9496 .5324 .2992 .050 |
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O13b .618 .464 .2753 .019 .0188 .0265 .0141 -.0034 .0075 -.0079 |
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H13A .5344 .4253 .1995 .050 |
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O14b .993 .307 .2795 .017 |
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H14A .0927 .3181 .2622 .050 .0176 .0240 .0076 -.0051 -.0003 -.0004 |
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H14B .981 .1896 .2829 .050 |
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|
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