American Mineralogist Crystal Structure Database

8 matching records for this search.

K(VO2)(HPO4)
 
Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
from X-ray powder diffraction
_cod_database_code 1000079
_database_code_amcsd 0012523
6.7550 9.1026 17.0808 90 90 90 Pbca
atom      x     y     z
K     .2766 .8124 .1005
V     .0175 .9483 .7606
P     .8074 .8876 .5959
O1    .8803 .7432 .5552
O2    .7606 .0034 .5289
O3    .1076 .8657 .8561
O4    .4824 .9537 .8496
O5   -.0199 .8815 .2246
O6    .2152 .1054 .2238
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View JMOL 3-D Structure (permalink)
 
NH4(VO2)(HPO4)
 
Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
from X-ray powder diffraction
_cod_database_code 1000080
_database_code_amcsd 0012524
6.8064 9.2567 17.732 90 90 90 Pbca
atom     x     y     z
N     .272 .8113 .0953
V    .0230 .9587 .7587
P    .8122 .8988 .6009
O1    .863 .7476 .5620
O2    .767 .0158 .5395
O3    .107 .8856 .8532
O4    .487 .9500 .8493
O5   -.020 .8777 .2313
O6    .207 .0970 .2260
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View JMOL 3-D Structure (permalink)
 
Rb(VO2)(HPO4)
 
Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
from X-ray powder diffraction
_cod_database_code 1000081
_database_code_amcsd 0012525
6.8182 9.291 17.631 90 90 90 Pbca
atom     x     y     z
Rb   .2733 .8128 .1001
V     .013 .9528 .7581
P     .802 .8926 .5977
O1    .852  .756 .5610
O2    .754  .013 .5387
O3    .105  .888 .8539
O4    .482  .946 .8480
O5       0  .879 .2380
O6    .204  .096 .2260
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View JMOL 3-D Structure (permalink)
 
Bariosincosite
Download hom/bariosincosite.pdf
Roca M, Marcos M D, Amoros P, Alamo J, Beltran-Porter A, Beltran-Porter D
 
Inorganic Chemistry 36 (1997) 3414-3421
Synthesis and crystal structure of a novel lamellar barium derivative:
Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates
M(VOPO4)2*nH2O
_database_code_amcsd 0012720
6.3860 12.7796 6.3870 90 90.172 90 Pn
atom      x     y      z Uiso
Ba1  -.0005 .7505 -.0007 .016
V1    .2780 .0444 -.1051 .011
V2   -.1084 .4558 -.2748 .011
P1   -.1117 .4999  .2249 .010
P2   -.2190 .0033 -.1080 .010
O1    .0818 .5718  .2346 .014
O2    .3684 .5702 -.0817 .014
O3   -.2258 .9311  .0845 .015
Wat4 -.1064 .2657 -.3085 .016
Wat5 -.4007 .7522 -.1686 .022
O6   -.0323 .0799 -.0946 .014
O7   -.2998 .5747  .2029 .014
Wat8  .3001 .2284 -.1070 .018
Wat9  .1560 .7456 -.3943 .021
O10  -.1044 .5804 -.2625 .019
O11   .2635 .9199 -.0991 .017
O12  -.4147 .0727 -.1249 .014
O13  -.1998 .9290 -.2964 .015
O14  -.0963 .4238  .0361 .014
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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
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 1.5 K
_database_code_amcsd 0013255
8.4989 8.4989 5.7973 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Bi   .0817 -.0817    .75 .224 .00072 .00072 .00191 .00009  .00016 .00016
Cu     .25    .25  .0766 .305 .00077 .00077 .00349      0       0      0
O    .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006
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View JMOL 3-D Structure (permalink)
 
Kusachiite
Download hom/kusachiite.pdf
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 30 K
_database_code_amcsd 0013256
8.4988 8.4988 5.7976 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Bi   .0817 -.0817    .75 .251 .00079 .00079 .00221  .00010  .00029 .00029
Cu     .25    .25  .0764 .312 .00083 .00083 .00340       0       0      0
O    .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003  .00014 .00012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kusachiite
Download hom/kusachiite.pdf
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 75 K
_database_code_amcsd 0013257
8.4987 8.4987 5.7999 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Bi   .0818 -.0818    .75 .316 .00101 .00101 .00270 .00010  .00011  .00011
Cu     .25    .25  .0765 .348 .00084 .00084 .00414      0       0       0
O    .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kusachiite
Download hom/kusachiite.pdf
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 290 K
_database_code_amcsd 0013258
8.5039 8.5039 5.8202 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Bi   .0814 -.0814    .75 .736 .00227 .00227 .00660 .00015  .00014 .00014
Cu     .25    .25  .0770 .675 .00189 .00189 .00688      0       0      0
O    .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039  .00025 .00039
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 8
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