|
Ba Ni O7 P2 |
| |
Riou D, Leligny H, Pham C, Labbe P, Raveau B |
 |
Acta Crystallographica B47 (1991) 608-617 |
|
BaNiP2O7, a triclinic diphosphate with a modulated structure ofthe |
|
displacive type |
|
_cod_database_code 1001511 |
|
_database_code_amcsd 0010491 |
|
5.317 7.580 7.116 101.26 84.48 89.49 P-1 |
|
atom x y z occ |
|
Ba1 .1841 .0667 .21715 .5 |
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Ba2 .2294 .07410 .23475 .5 |
|
Ni1 .1798 .5911 .4069 .5 |
|
Ni2 .1922 .6153 .3316 .5 |
|
P1 .7036 .3940 .2194 .5 |
|
P2 .7072 .4218 .1611 .5 |
|
P3 .6974 .7896 .2736 |
|
O1 .9250 .8013 .3934 |
|
O2 .446 .7959 .3970 |
|
O3 .710 .9337 .1521 |
|
O4 .729 .6008 .1276 |
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O5 .908 .410 .303 .5 |
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O6 .886 .411 .381 .5 |
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O7 .772 .298 -.033 .5 |
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O8 .794 .242 .055 .5 |
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O9 .5630 .6017 .722 |
|
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| |
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Mo O7 P2 Rb |
| |
Riou D, Leclaire A, Grandin A, Raveau B |
|
Acta Crystallographica C45 (1989) 989-991 |
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Structure of a diphosphate of trivalent molybdenum Rb Mo P2 O7 |
|
_cod_database_code 1001391 |
|
_database_code_amcsd 0010078 |
|
7.5237 10.3537 8.3998 90 105.8320 90 P2_1/c |
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atom x y z |
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Mo1 .23554 .60004 .75928 |
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Rb1 .18674 .31780 .05344 |
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P1 .4375 .6358 .1904 |
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P2 .1309 .9015 .8272 |
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O1 .3325 .5645 .3102 |
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O2 .0810 .7326 .2546 |
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O3 .6312 .5796 .2361 |
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O4 .1378 .5914 .5050 |
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O5 .3242 .6047 .0182 |
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O6 .0017 .4996 .2222 |
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O7 .4491 .7786 .2350 |
|
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|
| |
|
CaCuP2O7 |
| |
Riou D, Goreaud M |
|
Acta Crystallographica C46 (1990) 1191-1193 |
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CaCuP2O7: a structure closely related to alpha-Ca2P2O7 |
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_database_code_amcsd 0010150 |
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5.2104 8.0574 12.344 90 91.356 90 P2_1/n |
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atom x y z Biso |
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Cu .79798 .14058 .11019 .503 |
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Ca .2878 .32276 .27641 .673 |
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P1 .7523 .5280 .16483 .40 |
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P2 .3116 .2020 .98402 .42 |
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O1 .6608 .3508 .1542 .66 |
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O2 .6524 .3979 .4005 .63 |
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O3 .9384 .1207 .2653 .64 |
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O4 .7641 .1067 .4535 .69 |
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O5 .4747 .0450 .2929 .79 |
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O6 .0980 .3338 .4715 .65 |
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O7 .2124 .1867 .0967 .72 |
|
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|
| |
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Co0.92 Mg1.08 O7 P2 |
| |
Riou D, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 1583-1585 |
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Structure of a cobalt magnesium diphosphate: (MgxCo1-x)2P2O7 |
|
_cod_database_code 1001465 |
|
_database_code_amcsd 0010262 |
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6.977 8.330 9.032 90 113.74 90 P2_1/c |
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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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Mg1 .7329 .07039 .1097 .54 .0066 .0065 .0071 -.0008 .0027 -.0008 |
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Co1 .7329 .07039 .1097 .46 .0066 .0065 .0071 -.0008 .0027 -.0008 |
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Mg2 .7989 .44150 .17327 .54 .0083 .0063 .0100 .0000 .0051 .0000 |
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Co2 .7989 .44150 .17327 .46 .0083 .0063 .0100 .0000 .0051 .0000 |
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P1 .0311 .2268 .46732 .0043 .0049 .0034 .0003 .0015 .0007 |
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P2 .4423 .2672 .2599 .0048 .0051 .0053 -.0008 .0028 -.0015 |
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O1 .2495 .3273 .1008 .0049 .014 .0087 .0001 -.0017 -.0010 |
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O2 .0511 .3880 .3962 .0082 .0068 .0066 -.0009 .0018 .0028 |
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O3 .8765 .2642 .0477 .0078 .0070 .0076 -.0008 .0060 -.0006 |
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O4 -.0168 .0906 .3454 .0061 .0079 .0052 .0014 .0018 -.0024 |
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O5 .4770 .4027 .3822 .0097 .0048 .0053 -.0002 .0016 -.0005 |
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O6 .3898 .1100 .3139 .0160 .0065 .0214 -.0040 .0143 -.0012 |
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O7 .6199 .2589 .2029 .0051 .0070 .0073 .0006 .0026 -.0001 |
|
|
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|
| |
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Co O7 P2 Sr |
| |
Riou D, Raveau B |
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Acta Crystallographica C47 (1991) 1708-1709 |
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Structure of SrCoP2O7 |
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_cod_database_code 1001466 |
|
_database_code_amcsd 0010263 |
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5.3165 8.2574 12.6755 90 90.133 90 P2_1/n |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr1 .2851 .3392 .27851 .0060 .0085 .0072 .0002 .0001 .0012 |
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Co1 .8190 .1479 .10681 .0084 .0065 .0062 -.0001 -.0010 -.0006 |
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P1 .7484 .5354 .1652 .0050 .0054 .0048 .0003 .0004 .0008 |
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P2 .3138 .1997 .9810 .0057 .0054 .0025 -.0005 .0015 .0000 |
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O1 .677 .3597 .1523 .014 .004 .012 -.001 .002 .000 |
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O2 .668 .4018 .4007 .007 .013 .007 .000 -.003 .001 |
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O3 .949 .1188 .2663 .007 .006 .003 -.003 .001 .001 |
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O4 .767 .1133 .4509 .011 .010 .007 -.005 -.001 -.006 |
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O5 .489 .0615 .2927 .009 .007 .016 -.001 -.005 .002 |
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O6 .093 .3338 .4728 .001 .013 .010 -.002 .001 .002 |
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O7 .203 .1838 .0909 .007 .019 .003 -.004 .002 -.001 |
|
|
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|
| |
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Spheniscidite |
 |
Cavellec M, Riou D, Ferey G |
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Acta Crystallographica C50 (1994) 1379-1381 |
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Synthetic spheniscidite |
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Locality: synthetic |
|
_database_code_amcsd 0010294 |
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9.8232 9.7376 9.8716 90 102.803 90 P2_1/n |
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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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Fe1 .60167 .23175 .31330 .0070 .0069 .0075 .0064 .00070 .00080 -.00020 |
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Fe2 .88696 .95511 .87003 .0071 .0073 .0078 .0061 -.00030 .00110 -.00030 |
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P1 .79641 .03494 .14807 .0070 .0071 .0071 .0072 .0006 .0022 -.0006 |
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P2 .79230 .18304 .63129 .0070 .0074 .0064 .0064 -.0003 -.0002 .0003 |
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O1 .7814 .0406 .6986 .0109 .0123 .0078 .0107 -.0010 -.0015 .0025 |
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O2 .6877 .1309 .1833 .0122 .0124 .0138 .0110 .0046 .0036 -.0023 |
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O3 .7135 .3934 .2846 .0110 .0132 .0078 .0133 -.0004 .0060 -.0013 |
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O4 .7623 .0184 -.0121 .0101 .0096 .0135 .0068 .0021 .0013 -.0013 |
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O5 .0549 -.0931 .8012 .0105 .0097 .0118 .0101 -.0019 .0025 -.0032 |
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O6 .7375 .1688 .4751 .0121 .0142 .0127 .0074 .0022 -.0018 .0004 |
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O7 .5007 .3587 .4403 .0087 .0088 .0088 .0084 -.0009 .0020 -.0003 |
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O8 .4451 .2718 .1578 .0126 .0088 .0179 .0098 .0044 -.0006 -.0015 |
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O9 .7952 .7840 .8045 .0124 .0171 .0100 .0104 -.0055 .0034 -.0011 |
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O10 .4941 .0534 .3443 .0203 .0118 .0184 .0290 -.0034 .0016 .0071 |
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O11 .6809 .8532 .4654 .0253 .0330 .0220 .0230 -.0034 .0098 -.0066 |
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N .5103 .1894 .8969 .0210 .0200 .0270 .0160 .0013 .0030 .0048 |
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H1 .601 .146 -.094 .050 |
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H2 .502 .269 -.168 .050 |
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H3 .435 .125 -.141 .06 |
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H4 .500 .224 -.011 .06 |
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H5 .541 -.019 .386 .040 |
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H6 .404 .033 .323 .05 |
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H7 .738 -.102 .533 .040 |
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H8 .719 -.154 .392 .07 |
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H9 .435 .303 .461 .07 |
|
|
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|
| |
|
Ba Co O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 903-907 |
|
Les pyrophosphates A(II)x M P2 O7: Synthese et etude structurale |
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de Ba Co P2 O7 et Ba Ni P2 O7 |
|
_cod_database_code 1001375 |
|
_database_code_amcsd 0012302 |
|
5.3230 7.5799 7.1174 101.217 84.191 89.319 P-1 |
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atom x y z |
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Ba1 .2135 .06964 .22740 |
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Co1 .1983 .6043 .3744 |
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P1 .7096 .4047 .1849 |
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P2 .7070 .7911 .2713 |
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O1 .933 .8033 .3895 |
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O2 .463 .7990 .3968 |
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O3 .715 .9313 .1503 |
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O4 .733 .5964 .1269 |
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O5 .103 .5941 .662 |
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O6 .778 .267 .007 |
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O7 .558 .6027 .727 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca Co O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 1751-1756 |
|
Les pyrophosphates A(II)x M P2 O7: Synthese et etude structurale |
|
de Ba Co P2 O7 et Ba Ni P2 O7 |
|
_cod_database_code 1001374 |
|
_database_code_amcsd 0012303 |
|
6.5476 6.5441 6.5743 66.407 83.264 87.579 P-1 |
|
atom x y z |
|
Ca1 .12125 .79788 .73522 |
|
Co1 .35252 .22913 .89645 |
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P1 .65607 .67868 .63701 |
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P2 .14190 .74041 .23083 |
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O1 .0590 .8592 .3759 |
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O2 .3143 .8665 .0487 |
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O3 .7372 .7458 .7893 |
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O4 .3760 .1505 .6006 |
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O5 .5843 .4227 .2534 |
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O6 .9779 .6759 .1204 |
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O7 .7603 .4790 .6033 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe K O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 215-229 |
|
The diphosphate K Fe P2 O7: Structure and possibilities for |
|
insertion in the host framework |
|
_cod_database_code 1001388 |
|
_database_code_amcsd 0012518 |
|
7.3523 9.9875 8.1872 90 106.498 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .17883 .32022 .05316 .0200 .0235 .0189 .0022 .0026 .0005 |
|
Fe1 .23569 .59970 .76013 .0085 .00642 .0087 -.0003 .00230 .0002 |
|
P1 .44168 .63697 .19028 .0079 .0070 .0096 .0003 .0029 -.0005 |
|
P2 .13360 .90456 .82991 .0093 .0073 .0086 .0010 .0034 .0001 |
|
O1 .3403 .5595 .3131 .0113 .0121 .0181 .0024 .0060 .0062 |
|
O2 .0814 .7340 .2540 .0120 .0068 .0199 -.003 .0044 .0004 |
|
O3 .6399 .5795 .2316 .0102 .0109 .0245 .0026 .0070 -.0013 |
|
O4 .1458 .5893 .5141 .0226 .0258 .0083 -.0104 .0052 -.0021 |
|
O5 .3213 .6075 .0123 .0212 .0199 .0103 .0004 .0002 -.0034 |
|
O6 0 .4934 .2223 .0136 .0092 .0118 -.0039 .0047 -.0023 |
|
O7 .4521 .7839 .2412 .0101 .0069 .0205 -.0009 .0044 -.0029 |
|
|
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|
| |
|
Mo8 O52 P12 Rb4 |
| |
Riou D, Goreaud M |
| |
Journal of Solid State Chemistry 79 (1989) 99-106 |
|
Rb4 Mo8 P12 O52, a Molybdenophosphate of the Cs4 Mo8 P12 |
|
O52 Type: Structure and Properties of Host Framework |
|
_cod_database_code 1001408 |
|
_database_code_amcsd 0013648 |
|
6.3847 19.088 9.7366 90 107.05 90 P2_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 .2274 .16 .0156 .0346 .0205 .071 -.0104 -.0207 .0123 |
|
Rb2 .7841 .4912 .3647 .0486 .0385 .0178 .0019 .0045 -.0103 |
|
Mo1 .1392 .49349 .0716 .0045 .0076 .0066 .0012 .0019 -.0001 |
|
Mo2 .5618 .03325 .3738 .0045 .0051 .0071 -.0005 .0017 -.0008 |
|
Mo3 .6390 .31919 .0569 .0053 .0069 .0063 .0012 .0014 .0008 |
|
Mo4 .9374 .28447 .6091 .0066 .0079 .0052 -.0003 .0010 -.0005 |
|
P1 .0945 .3330 .9598 .011 .001 .010 -.0014 .0035 -.002 |
|
P2 .7385 .1231 .6896 .007 .008 .004 .000 .0014 .003 |
|
P3 .5955 .4817 .9699 .003 .015 .004 -.001 .0006 .002 |
|
P4 .7566 .1925 .2965 .007 .005 .009 -.003 .0018 -.004 |
|
P5 .0153 .0682 .2864 .008 .008 .009 .004 .0027 .001 |
|
P6 .4810 .2478 .6985 .006 .010 .006 -.003 .0025 -.002 |
|
O1 .881 .0303 .3690 |
|
O2 .630 .2846 .6212 |
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O3 .941 .3058 .0397 |
|
O4 .965 .0538 .1297 |
|
O5 .254 .0590 .3719 |
|
O6 .324 .3123 .0517 |
|
O7 .900 .1731 .6591 |
|
O8 .535 .2651 .8557 |
|
O9 .244 .2570 .6112 |
|
O10 .596 .1433 .3278 |
|
O11 .047 .2941 .8178 |
|
O12 .827 .2515 .4044 |
|
O13 .445 .5004 .0617 |
|
O14 .826 .0926 .8410 |
|
O15 .587 .4056 .9283 |
|
O16 .662 .0650 .5843 |
|
O17 .672 .2225 .1476 |
|
O18 .525 .1646 .6867 |
|
O19 .977 .1501 .2977 |
|
O20 .710 .3652 .2075 |
|
O21 .069 .4123 .9335 |
|
O22 .934 .3671 .5632 |
|
O23 .203 .4468 .220 |
|
O24 .464 .0296 .1611 |
|
O25 .175 .0031 .9352 |
|
O26 .449 .4494 .585 |
|
|
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|
| |
|
H8 N2 O8 P0.96 V2.04 |
| |
Ninclaus C, Retoux R, Riou D, Ferey G |
| |
Journal of Solid State Chemistry 122 (1996) 139-142 |
|
Synthesis and structure determination of the disordered V(V)-P compound |
|
(N H4)2 V(IV) O (V(V)2-x Px O7) |
|
_cod_database_code 1000480 |
|
_database_code_amcsd 0013881 |
|
8.629 8.629 5.648 90 90 90 P4 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V1 .3694 .1308 .0077 .52 .010 .010 .017 -.002 .000 .005 |
|
P1 .3694 .1308 .0077 .48 .010 .010 .017 -.002 .000 .005 |
|
V2 .5 .5 0 .013 .013 .017 0 0 0 |
|
V3 0 0 .0086 .013 .013 .019 0 0 0 |
|
O1 0 0 .2928 .033 .033 .023 0 0 0 |
|
O2 .5 .5 .2802 .031 .031 .021 0 0 0 |
|
O3 .3698 .1302 .2857 .024 .024 .020 .004 .002 .001 |
|
O4 .5 0 -.0922 .032 .082 .018 -.012 0 0 |
|
O5 .4166 .2987 -.0991 .031 .012 .035 -.004 -.011 .000 |
|
O6 .2018 .0830 -.0985 .014 .027 .031 -.007 .000 .004 |
|
N1 .1700 .3308 .5292 .034 .038 .018 .018 .000 .000 |
|
H1 .2388 .2704 .4528 |
|
H2 .0858 .3445 .4376 |
|
H3 .2135 .4234 .5606 |
|
H4 .1420 .2849 .6658 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe Li O7 P2 |
| |
Riou D, Nguyen N, Benloucif R, Raveau B |
| |
Materials Research Bulletin 25 (1990) 1363-1369 |
|
LiFeP2O7: Structure and magnetic properties |
|
_cod_database_code 1001451 |
|
_database_code_amcsd 0014354 |
|
4.8229 8.0813 6.9419 90 109.387 90 P2_1 |
|
atom x y z |
|
Li1 .803 .384 .819 |
|
Fe1 .21948 .25 .23398 |
|
P1 .7939 .47040 .41633 |
|
P2 .6008 .07093 .98019 |
|
O1 .4029 .0722 .1099 |
|
O2 .8141 .2156 .0198 |
|
O3 .1318 .0616 .3813 |
|
O4 .0619 .4302 .3611 |
|
O5 .2481 .4056 .0103 |
|
O6 .3985 .1016 .7475 |
|
O7 .6082 .3197 .4183 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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