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K(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000079 |
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_database_code_amcsd 0012523 |
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6.7550 9.1026 17.0808 90 90 90 Pbca |
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atom x y z |
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K .2766 .8124 .1005 |
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V .0175 .9483 .7606 |
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P .8074 .8876 .5959 |
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O1 .8803 .7432 .5552 |
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O2 .7606 .0034 .5289 |
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O3 .1076 .8657 .8561 |
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O4 .4824 .9537 .8496 |
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O5 -.0199 .8815 .2246 |
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O6 .2152 .1054 .2238 |
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NH4(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000080 |
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_database_code_amcsd 0012524 |
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6.8064 9.2567 17.732 90 90 90 Pbca |
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atom x y z |
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N .272 .8113 .0953 |
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V .0230 .9587 .7587 |
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P .8122 .8988 .6009 |
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O1 .863 .7476 .5620 |
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O2 .767 .0158 .5395 |
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O3 .107 .8856 .8532 |
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O4 .487 .9500 .8493 |
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O5 -.020 .8777 .2313 |
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O6 .207 .0970 .2260 |
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| Download AMC data (View Text File)
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Rb(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000081 |
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_database_code_amcsd 0012525 |
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6.8182 9.291 17.631 90 90 90 Pbca |
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atom x y z |
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Rb .2733 .8128 .1001 |
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V .013 .9528 .7581 |
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P .802 .8926 .5977 |
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O1 .852 .756 .5610 |
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O2 .754 .013 .5387 |
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O3 .105 .888 .8539 |
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O4 .482 .946 .8480 |
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O5 0 .879 .2380 |
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O6 .204 .096 .2260 |
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View JMOL 3-D Structure
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Bariosincosite |
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Roca M, Marcos M D, Amoros P, Alamo J, Beltran-Porter A, Beltran-Porter D |
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Inorganic Chemistry 36 (1997) 3414-3421 |
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Synthesis and crystal structure of a novel lamellar barium derivative: |
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Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates |
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M(VOPO4)2*nH2O |
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_database_code_amcsd 0012720 |
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6.3860 12.7796 6.3870 90 90.172 90 Pn |
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atom x y z Uiso |
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Ba1 -.0005 .7505 -.0007 .016 |
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V1 .2780 .0444 -.1051 .011 |
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V2 -.1084 .4558 -.2748 .011 |
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P1 -.1117 .4999 .2249 .010 |
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P2 -.2190 .0033 -.1080 .010 |
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O1 .0818 .5718 .2346 .014 |
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O2 .3684 .5702 -.0817 .014 |
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O3 -.2258 .9311 .0845 .015 |
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Wat4 -.1064 .2657 -.3085 .016 |
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Wat5 -.4007 .7522 -.1686 .022 |
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O6 -.0323 .0799 -.0946 .014 |
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O7 -.2998 .5747 .2029 .014 |
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Wat8 .3001 .2284 -.1070 .018 |
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Wat9 .1560 .7456 -.3943 .021 |
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O10 -.1044 .5804 -.2625 .019 |
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O11 .2635 .9199 -.0991 .017 |
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O12 -.4147 .0727 -.1249 .014 |
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O13 -.1998 .9290 -.2964 .015 |
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O14 -.0963 .4238 .0361 .014 |
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| Download AMC data (View Text File)
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 1.5 K |
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_database_code_amcsd 0013255 |
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8.4989 8.4989 5.7973 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi .0817 -.0817 .75 .224 .00072 .00072 .00191 .00009 .00016 .00016 |
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Cu .25 .25 .0766 .305 .00077 .00077 .00349 0 0 0 |
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O .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 30 K |
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_database_code_amcsd 0013256 |
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8.4988 8.4988 5.7976 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi .0817 -.0817 .75 .251 .00079 .00079 .00221 .00010 .00029 .00029 |
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Cu .25 .25 .0764 .312 .00083 .00083 .00340 0 0 0 |
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O .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003 .00014 .00012 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 75 K |
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_database_code_amcsd 0013257 |
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8.4987 8.4987 5.7999 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi .0818 -.0818 .75 .316 .00101 .00101 .00270 .00010 .00011 .00011 |
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Cu .25 .25 .0765 .348 .00084 .00084 .00414 0 0 0 |
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O .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 290 K |
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_database_code_amcsd 0013258 |
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8.5039 8.5039 5.8202 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi .0814 -.0814 .75 .736 .00227 .00227 .00660 .00015 .00014 .00014 |
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Cu .25 .25 .0770 .675 .00189 .00189 .00688 0 0 0 |
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O .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039 .00025 .00039 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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