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Ba3AlF9 |
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Renaudin A, Ferey G, Kozak A, Samouel M |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 571-580 |
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Polymorphic Ba3AlF9 : crystal structure of form I |
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_cod_database_code 1000288 |
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_database_code_amcsd 0012532 |
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19.706 5.599 15.173 90 90 90 Pnma |
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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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Ba1 .1079 .25 .1904 .0136 .0205 .0076 0 -.0012 0 |
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Ba2 .2426 .25 .7881 .0125 .0135 .0068 0 .0008 0 |
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Ba3 .3221 .25 .5061 .0127 .0209 .0108 0 .0039 0 |
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Ba4 .0310 .25 .9075 .0137 .0153 .0074 0 .000 0 |
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Ba5 .3162 .25 .0729 .0124 .0123 .0077 0 -.0005 0 |
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Ba6 .9967 .25 .6233 .0141 .0145 .0055 0 -.0018 0 |
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Al1 .1189 .25 .4292 .0068 .0165 .0088 0 -.0007 0 |
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Al2 .3876 .25 .2787 .0178 .0146 .0079 0 -.0040 0 |
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F1 .4726 .25 .3193 |
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F2 .3004 .25 .2531 |
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F3 .1886 .25 .5061 |
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F4 .0460 .25 .3563 |
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F5 .2246 .25 .9606 |
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F6 .4433 .25 .7237 |
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F7 .2137 .9947 .1441 |
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F8 .0737 .0017 .0458 |
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F9 .3664 .0263 .3567 |
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F10 .0789 .0226 .4936 |
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F11 .1568 .0222 .3593 |
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F12 .4025 .0264 .1964 |
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Ba F9 Fe2 Na |
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Ferey G, Leblanc M, Kozak A, Samouel M, Pannetier J |
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Journal of Solid State Chemistry 56 (1985) 288-297 |
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Crystal structures of Na Ba Cr2 F9 and Na Ba Fe2 F9 Structural |
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correlations with other enneafluorides, particularly with KPbCr2F9 |
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_cod_database_code 1000205 |
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_database_code_amcsd 0013535 |
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7.363 17.527 5.484 90 91.50 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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Na1 .3102 .0408 .7490 .0116 .0161 .0165 -.0028 -.0089 -.0061 |
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Ba1 .0679 .2851 .7260 .0093 .0048 .0135 -.0008 -.0019 -.0008 |
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Fe1 .4080 .6238 .2238 .0071 .0022 .0077 -.0002 -.0035 .0008 |
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Fe2 .2702 .4185 .2629 .0069 .0030 .0093 .0000 -.0013 .0000 |
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F1 .1339 .4181 -.0303 .0235 .0177 .0128 -.0024 -.0122 -.0055 |
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F2 .0022 .9223 .4173 .0124 .0054 .0153 .0007 .0037 .0013 |
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F3 .2843 .3115 .2928 .0223 .0058 .0282 -.0023 .0072 .0017 |
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F4 .4390 .9176 .0470 .0143 .0166 .0157 -.0003 .0051 -.0028 |
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F5 .2754 .1643 .4867 .0136 .0123 .0150 -.0029 -.0032 .0003 |
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F6 .2040 .1640 .0023 .0231 .0091 .0091 .0010 .0029 .0058 |
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F7 .2376 .0307 .2449 .0083 .0025 .0210 .0006 .0013 -.0018 |
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F8 .4352 .2912 .8169 .0168 .0110 .0190 -.0026 -.0055 .0038 |
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F9 .4063 .4303 .5796 .0141 .0106 .0100 -.0018 -.0055 .0014 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 F18 Ni7 |
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Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
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Solid State Communications 65 (1988) 185-188 |
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Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
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_cod_database_code 1000248 |
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_database_code_amcsd 0015454 |
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6.937 7.229 7.456 94.37 93.16 115.86 P-1 |
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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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Ba1 .3137 .6918 .6343 .0077 .0089 .0101 .0009 -.0002 .0032 |
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Ni1 0 0 .5 .0067 .0064 .0069 .0015 .0014 .0028 |
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Ni2 .1908 .8770 .1823 .0064 .0058 .0074 .0012 .0006 .0022 |
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Ni3 .8189 .6151 .8041 .0066 .0063 .0072 .0010 .0013 .0025 |
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Ni4 .6066 .7233 .1185 .0060 .0069 .0072 .0015 .0011 .0025 |
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F1 .4804 .5612 .3224 .0089 .0110 .0106 .0043 .0009 .0027 |
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F2 .1067 .7699 .9272 .0115 .0139 .0085 -.0036 -.0013 .0038 |
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F3 .7168 .9907 .5574 .0086 .0113 .0087 .0007 .0002 .0031 |
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F4 .9203 .7181 .5724 .0174 .0125 .0105 .0049 .0045 .0081 |
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F5 .9034 .8728 .2401 .0088 .0158 .0089 -.0008 -.0012 .0063 |
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F6 .7059 .8252 .8792 .0109 .0078 .0107 .0032 .0036 .0055 |
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F7 .1007 .6058 .2809 .0132 .0053 .0124 .0010 .0022 .0030 |
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F8 .4956 .9275 .1807 .0082 .0117 .0149 -.0005 .0017 .0053 |
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F9 .6798 .4867 .0261 .0087 .0084 .0087 .0017 .0012 .0033 |
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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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Ba2 F18 Ni7 |
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Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
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Solid State Communications 65 (1988) 185-188 |
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Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
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_cod_database_code 1000249 |
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_database_code_amcsd 0015455 |
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6.924 7.218 7.437 94.39 93.20 115.82 P-1 |
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atom x y z |
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Ba1 .315 .697 .624 |
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Ni1 0 0 .5 |
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Ni2 .199 .884 .186 |
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Ni3 .823 .618 .799 |
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Ni4 .676 .718 .115 |
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F1 .480 .565 .324 |
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F2 .110 .762 .934 |
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F3 .721 .986 .561 |
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F4 .916 .712 .576 |
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F5 .907 .878 .244 |
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F6 .691 .811 .873 |
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F7 .078 .606 .270 |
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F8 .513 .924 .181 |
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F9 .692 .497 .012 |
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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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