|
BaCuInF7 |
| |
de Kozak A, Samouel M, Renaudin J, Ferey G |
| |
Zeitschrift fur Kristallographie 189 (1989) 77-87 |
|
Structure of BaCuInF7: The interpretation beween a pyrochlor-like |
|
edge-sharing network of octahedra and a defect fluorite structure |
|
_cod_database_code 1000485 |
|
_database_code_amcsd 0010995 |
|
6.843 6.843 12.001 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 .25 .375 .0226 .0226 .0229 -.00068 0 0 |
|
Cu1 0 0 0 .5 .0094 .0084 .0370 -.0036 0 0 |
|
In1 0 0 0 .5 .0094 .0084 .0370 -.0036 0 0 |
|
F1 .2854 0 0 .0213 .0358 .0324 -.0120 0 0 |
|
F2 0 .25 .0937 .0398 .0175 .0327 0 0 0 |
|
F3 0 .75 .125 .0573 .0573 .0414 0 0 0 |
|
|
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|
| |
|
Ba7CuFe6F34 |
| |
Renaudin J, Ferey G, Drillon M, De Kozak A, Samouel M |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 308 (1989) 1217-1222 |
|
La structure magnetique du ferrimagnetique monodimensionnel Ba7CuFe6F34 de type jarlite |
|
_cod_database_code 1000278 |
|
_database_code_amcsd 0012304 |
|
16.892 11.331 7.646 90 101.75 90 C2/m |
|
atom x y z |
|
Ba1 0 0 0 |
|
Ba2 .2625 0 .128 |
|
Ba3 .1421 .3015 .300 |
|
Cu1 0 .5 .5 |
|
Fe1 .1738 0 .5427 |
|
Fe2 .1098 .2411 .8009 |
|
F1 .3812 .1342 .031 |
|
F2 .1344 .1303 .995 |
|
F3 .2770 .2449 .197 |
|
F4 -.0011 .2079 .803 |
|
F5 .4175 .1403 .389 |
|
F6 .1083 .1255 .617 |
|
F7 .2376 .1171 .456 |
|
F8 .2531 0 .760 |
|
F9 .1130 0 .303 |
|
F10 .4394 0 .681 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Ba3 F9 |
| |
Renaudin J, Ferey G, de Kozak A, Samouel M |
| |
European Journal of Solid State and Inorganic Chemistry 28 (1991) 373-381 |
|
Crystal structure of a polytypic form of Ba3AlF9(form Ib) |
|
_cod_database_code 1000329 |
|
_database_code_amcsd 0012542 |
|
10.063 5.567 14.88 90 90 90 Pnma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .4463 .25 .3995 .0112 .0153 .0109 0 .0000 0 |
|
Ba2 .3306 .25 .9577 .0115 .0112 .0125 0 -.0003 0 |
|
Ba3 .2343 .25 .6801 .0136 .0117 .0099 0 -.0022 0 |
|
Al1 .0236 .25 .3320 .0092 .0098 .0100 0 .0001 0 |
|
F1 .3660 .25 .2257 .0195 .0310 .0135 0 .0078 0 |
|
F2 .1728 .25 .4001 .0169 .0171 .0184 0 -.0067 0 |
|
F3 .1403 .25 .8490 .0188 .0400 .0141 0 -.0033 0 |
|
F4 .1489 -.0029 .0440 .0175 .0159 .0166 .0008 .0018 .0016 |
|
F5 .4563 .0187 .0934 .0154 .0130 .0157 -.0017 -.0028 -.0021 |
|
F6 .0837 .0204 .2601 .0253 .0271 .0323 -.0135 .0034 .0059 |
|
|
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|
| |
|
Ba10 Cu12 F47 Fe |
| |
Renaudin J, Ferey G, de Kozak A, Samouel M, Gredin P |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 401-411 |
|
Complex copper(II) fluorides: XIV. The average crystal structure |
|
ofBa10Cu12FeF47 |
|
_cod_database_code 1000323 |
|
_database_code_amcsd 0012571 |
|
15.447 11.638 11.809 90 109.92 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .1882 .2199 .2974 .0142 .0281 .0109 -.0010 .0039 .0002 |
|
Ba2 .3841 .2052 .0975 .0186 .0309 .0207 .0087 -.0016 -.0091 |
|
Ba3 0 .2184 .5 .0165 .0195 .0139 0 .0075 0 |
|
Cu1 .1130 0 .0547 .5 .0295 .0206 .0127 0 .0109 0 |
|
Fe1 .1130 0 .0547 .5 .0295 .0206 .0127 0 .0109 0 |
|
Cu2 .1912 0 .5432 .0150 .0159 .0096 0 .0000 0 |
|
Cu3 .0093 0 .7339 .0158 .0170 .0103 0 .0029 0 |
|
Cu4 .2335 0 .8382 .0160 .0171 .0137 0 .0035 0 |
|
Cu5 .3820 0 .4455 .5 .0119 .0185 .0158 0 .0038 0 |
|
Cu6 .6339 0 .6696 .5 .0146 .0175 .0132 0 .0054 0 |
|
Cu7 .5871 0 .3854 .5 .0182 .0171 .0099 0 .0063 0 |
|
Cu8 .5615 0 .1120 .5 .0186 .0193 .0134 0 .0067 0 |
|
Cu9 .4317 0 .7340 .5 .0123 .0247 .0158 0 .0017 0 |
|
F1 .0610 0 .4368 .0210 .0283 .0054 0 -.0038 0 |
|
F2 .1141 0 .2164 .0400 .0250 .0177 0 .0155 0 |
|
F3 .1067 0 .8913 .0319 .0738 .0109 0 .0046 0 |
|
F4 .1330 0 .6851 .0229 .0700 .013 0 .0034 0 |
|
F5 .3072 0 .6923 .0258 .044 .0219 0 .0048 0 |
|
F6 .2686 0 .4184 .0828 .0419 .0184 0 .0240 0 |
|
F7 .3414 0 .9797 .0481 .0199 .0288 0 -.0180 0 |
|
F8 .5672 0 .7790 .5 |
|
F9 .5672 0 .7790 .5 |
|
F10 0 .1096 0 .1710 .1169 .0701 0 .0878 0 |
|
F11 0 .5 .5 .0733 .0346 .0148 0 -.0263 0 |
|
F12 .1876 .1612 .5297 .0256 .0179 .0141 -.0030 .0038 -.0001 |
|
F13 .0016 .1627 .7309 .0308 .0200 .0212 -.007 .0086 -.0052 |
|
F14 .2367 .1611 .8461 .0371 .0264 .0386 .0070 .0239 .0119 |
|
F15 .1950 .1312 .0853 .0722 .0462 .0346 -.0301 .0253 -.0151 |
|
F16 .3679 .1527 .3290 .0231 .0455 .0334 -.0040 .0084 -.0138 |
|
F17 .4116 .1578 .6110 .5 |
|
F18 .5919 .8819 .4059 .5 |
|
F19 .4436 .1316 .8464 .5 |
|
F20 .5616 .8381 .1086 .5 |
|
|
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|
| |
|
K2AlF5*(H2O) |
| |
de Kozak A, Gredin P, Pierrard A, Renaudin J |
| |
Journal of Fluorine Chemistry 77 (1996) 39-44 |
|
The crystal structure of a new form of the dipotassium |
|
pentafluoroaluminate hydrate, K2AlF5*(H2O), and of its dehydrate, K2AlF5 |
|
_cod_database_code 1000478 |
|
_database_code_amcsd 0013025 |
|
6.133 7.475 6.142 90 97.17 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .0732 .25 .5011 .0331 .0210 .0220 0 .0011 0 |
|
K2 .5013 .25 .0734 .0211 .0212 .0339 0 .0012 0 |
|
Al1 0 0 0 .0124 .0083 .0134 .0003 -.0007 .0006 |
|
F1 .0013 .25 .0019 .0328 .0082 .0346 0 -.0014 0 |
|
F2 .8079 .9999 .1925 .0367 .0254 .0375 .0103 .0206 .0109 |
|
F3 .2191 .9998 .2190 .0340 .0214 .0330 .0010 -.0181 .0008 |
|
O1 .5358 .25 .5358 .0336 .0234 .0377 0 -.0086 0 |
|
H1 .4077 .6682 .4101 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K2AlF5 |
| |
de Kozak A, Gredin P, Pierrard A, Renaudin J |
| |
Journal of Fluorine Chemistry 77 (1996) 39-44 |
|
The crystal structure of a new form of the dipotassium |
|
pentafluoroaluminate hydrate, K2AlF5*(H2O), and of its dehydrate, K2AlF5 |
|
_cod_database_code 1000479 |
|
_database_code_amcsd 0013026 |
|
5.965 5.965 3.699 90 90 90 P4/mmm |
|
atom x y z |
|
K1 0 .5 .5 |
|
Al1 0 0 0 |
|
F1 0 0 .5 |
|
F2 .219 .219 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Cu F12 V2 |
| |
Renaudin J, Laligant Y, Samouel M, de Kozak A, Ferey G |
| |
Journal of Solid State Chemistry 62 (1986) 158-163 |
|
Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A |
|
new bidimensional M X4 network |
|
_cod_database_code 1000403 |
|
_database_code_amcsd 0013574 |
|
5.365 6.950 7.433 65.05 70.26 73.19 P-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .7075 .7968 .7641 .0170 .0141 .0164 -.0087 -.0020 -.0024 |
|
V1 .5 .5 .5 .0096 .0084 .0113 -.0046 -.0028 -.0006 |
|
Cu1 .0522 .7753 .1679 .5 .0116 .0089 .0101 -.0043 -.0027 .0003 |
|
V2 .0522 .7753 .1679 .5 .0116 .0089 .0101 -.0043 -.0027 .0003 |
|
F1 .1730 .6542 .9626 .0289 .0197 .0170 -.0109 -.0052 -.0039 |
|
F2 .4649 .7813 .4946 .0222 .0091 .0213 -.0063 -.0088 .0002 |
|
F3 .1236 .4870 .6513 .0147 .0175 .0183 -.0061 -.0029 -.0013 |
|
F4 .0224 .0950 .6419 .0199 .0172 .0121 -.0081 .0001 -.0046 |
|
F5 .2517 .0363 .9542 .0162 .0404 .0248 -.0200 -.0079 .0038 |
|
F6 .6039 .3894 .7616 .0159 .0202 .0134 -.0069 -.0045 .0047 |
|
|
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|
| |
|
Ba2Cu5F14 |
| |
de Kozak A, Samouel M, Renaudin J, Ferey G |
| |
Revue de Chimie Minerale 23 (1986) 352-361 |
|
Fluorures complexes de cuivre II. V. Structure cristalline de alpha-Ba2Cu5F14 |
|
_cod_database_code 1000411 |
|
_database_code_amcsd 0015399 |
|
18.170 6.652 10.328 90 117.10 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .1641 .6148 .1300 .0159 .0043 .0164 .0003 .0104 -.0009 |
|
Cu1 .1749 .1180 .9914 .0135 .0046 .0140 .0015 .0117 .0008 |
|
Cu2 .0359 .1418 .1407 .0139 .0023 .0158 .0003 .0112 .0007 |
|
Cu3 0 .6456 .25 .0108 .0040 .0133 0 .0093 0 |
|
F1 .9675 .4289 .3567 .0288 .0086 .0255 .0015 .0198 .0001 |
|
F2 .8912 .3478 .6030 .0132 .0041 .0238 -.0064 .0079 -.0038 |
|
F3 .7762 .1435 .6356 .0229 .0049 .0176 -.0022 .0105 -.0018 |
|
F4 .9252 .1306 .1165 .0116 .0155 .0160 .0025 .0095 .0010 |
|
F5 .7505 .0822 .8970 .0159 .0055 .0222 .0009 .0108 .0008 |
|
F6 .9654 .1480 .8727 .0320 .0010 .0305 .0001 .0266 .0003 |
|
F7 .8590 .1564 .3570 .0145 .0269 .0230 .0026 .0196 .0019 |
|
|
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|
| |
|
Ba2 F18 Zn7 |
| |
Renaudin J, Ferey G, de Kozak A, Samouel M |
| |
Revue de Chimie Minerale 23 (1986) 497-507 |
|
Structure cristalline de Ba2 Zn7 F18 |
|
_cod_database_code 1000497 |
|
_database_code_amcsd 0015400 |
|
7.032 7.292 7.505 94.24 92.82 116.39 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .3160 .6877 .6320 .0105 .0094 .0115 .0056 -.0015 .0004 |
|
Zn1 0 0 .5 .0107 .0075 .0091 .0061 .0012 .0020 |
|
Zn2 .1916 .8715 .1791 .0104 .0068 .0094 .0051 -.0008 .0012 |
|
Zn3 .8217 .6198 .8062 .0098 .0081 .0092 .0053 .0008 .0011 |
|
Zn4 .6104 .7331 .1240 .0103 .0081 .0095 .0055 .0007 .0018 |
|
F1 .4785 .5614 .3224 .0102 .0136 .0130 .0062 .0002 .0015 |
|
F2 .1085 .7713 .9241 .0098 .0128 .0118 .0012 -.0014 -.0020 |
|
F3 .7162 .9888 .5565 .0098 .0134 .0160 .0048 .0020 .0012 |
|
F4 .9187 .7177 .5721 .0217 .0098 .0102 .0081 .0077 .0053 |
|
F5 .9071 .8728 .2390 .0091 .0126 .0106 .0049 .0003 -.0025 |
|
F6 .7036 .8238 .8800 .0151 .0102 .0100 .0077 .0013 .0017 |
|
F7 .1027 .6046 .2848 .0196 .0108 .0152 .0097 .0006 .0030 |
|
F8 .4972 .9275 .1839 .0114 .0115 .0208 .0078 .0008 -.0011 |
|
F9 .6788 .4861 .0258 .0136 .0104 .0132 .0078 -.0010 .0032 |
|
|
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|
| |
|
Ba2 F18 Ni7 |
| |
Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
| |
Solid State Communications 65 (1988) 185-188 |
|
Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
|
_cod_database_code 1000248 |
|
_database_code_amcsd 0015454 |
|
6.937 7.229 7.456 94.37 93.16 115.86 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .3137 .6918 .6343 .0077 .0089 .0101 .0009 -.0002 .0032 |
|
Ni1 0 0 .5 .0067 .0064 .0069 .0015 .0014 .0028 |
|
Ni2 .1908 .8770 .1823 .0064 .0058 .0074 .0012 .0006 .0022 |
|
Ni3 .8189 .6151 .8041 .0066 .0063 .0072 .0010 .0013 .0025 |
|
Ni4 .6066 .7233 .1185 .0060 .0069 .0072 .0015 .0011 .0025 |
|
F1 .4804 .5612 .3224 .0089 .0110 .0106 .0043 .0009 .0027 |
|
F2 .1067 .7699 .9272 .0115 .0139 .0085 -.0036 -.0013 .0038 |
|
F3 .7168 .9907 .5574 .0086 .0113 .0087 .0007 .0002 .0031 |
|
F4 .9203 .7181 .5724 .0174 .0125 .0105 .0049 .0045 .0081 |
|
F5 .9034 .8728 .2401 .0088 .0158 .0089 -.0008 -.0012 .0063 |
|
F6 .7059 .8252 .8792 .0109 .0078 .0107 .0032 .0036 .0055 |
|
F7 .1007 .6058 .2809 .0132 .0053 .0124 .0010 .0022 .0030 |
|
F8 .4956 .9275 .1807 .0082 .0117 .0149 -.0005 .0017 .0053 |
|
F9 .6798 .4867 .0261 .0087 .0084 .0087 .0017 .0012 .0033 |
|
|
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|
| |
|
Ba2 F18 Ni7 |
| |
Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
| |
Solid State Communications 65 (1988) 185-188 |
|
Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
|
_cod_database_code 1000249 |
|
_database_code_amcsd 0015455 |
|
6.924 7.218 7.437 94.39 93.20 115.82 P-1 |
|
atom x y z |
|
Ba1 .315 .697 .624 |
|
Ni1 0 0 .5 |
|
Ni2 .199 .884 .186 |
|
Ni3 .823 .618 .799 |
|
Ni4 .676 .718 .115 |
|
F1 .480 .565 .324 |
|
F2 .110 .762 .934 |
|
F3 .721 .986 .561 |
|
F4 .916 .712 .576 |
|
F5 .907 .878 .244 |
|
F6 .691 .811 .873 |
|
F7 .078 .606 .270 |
|
F8 .513 .924 .181 |
|
F9 .692 .497 .012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F24 Fe3 Pb8 |
| |
Pierrard A, de Kozak A, Gredin P, Renaudin J |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1053-1057 |
|
The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- |
|
like compound |
|
_cod_database_code 1000376 |
|
_database_code_amcsd 0015813 |
|
20.118 5.597 9.440 89.75 105.79 89.38 C-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .7252 .0088 .6407 .0092 .0144 .0131 .0000 .0039 .0010 |
|
Pb2 .6303 .0113 .1704 .0089 .0145 .0098 .0001 .0033 .0000 |
|
Pb3 .8218 .0003 .1033 .0099 .0127 .0131 .0019 .0048 .0013 |
|
Pb4 .0865 .0029 .4373 .0070 .0126 .0095 .0006 .0018 .0005 |
|
Fe1 0 0 0 .0007 .0077 .0073 .0019 .0004 .0007 |
|
Fe2 .5476 .0022 .7522 .0081 .0070 .0082 .0034 .0027 -.0013 |
|
F1 .7251 .2494 .1265 .0101 .0165 .0176 .0019 .0079 -.0086 |
|
F2 .1772 .2451 .3918 .0101 .0184 .0177 .0104 .0052 .0093 |
|
F3 .6830 .2391 .384 .0072 .0214 .0025 .0021 -.0019 .0001 |
|
F4 .6425 .0602 .8591 .0093 .0322 .0269 -.0107 -.0075 .0027 |
|
F5 .9565 .2121 .3647 .0326 .0146 .0297 .0045 .0188 .0086 |
|
F6 .8199 .0590 .3586 .0130 .0504 .0132 .0123 .0047 -.0072 |
|
F7 .4475 .2761 .1183 .0388 .0185 .0259 -.0003 .0231 .0004 |
|
F8 .9815 .3093 .1068 .0665 .0202 .0277 .0070 .0339 .0015 |
|
F9 .4140 .1847 .3743 .0555 .0112 .0199 -.004 .0159 .0009 |
|
F10 .5481 .0545 .3369 .0048 .0373 .0222 .003 .0001 .0005 |
|
F11 .9116 .0353 .8594 .0249 .0365 .0211 -.0065 -.0006 .0026 |
|
F12 .2286 .2554 .1320 .0112 .0215 .0095 -.0064 .0033 -.0005 |
|
|
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|
| |
|
F34 Fe7 Pb7 |
| |
Pierrard A, de Kozak A, Gredin P, Renaudin J |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 622 (1996) 1200-1204 |
|
The crystal structure of Pb7 Fe(II) Fe(III)6 F34: a new jarlite-type compound |
|
_cod_database_code 1000424 |
|
_database_code_amcsd 0015814 |
|
16.375 11.233 7.615 90 102.67 90 C2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 0 .0163 .0214 .0115 0 .0030 0 |
|
Pb2 .2585 0 .1012 .0199 .0163 .0159 0 .0017 0 |
|
Pb3 .1463 .3089 .2955 .0179 .0158 .0114 .0004 .0032 -.0007 |
|
Fe1 0 .5 .5 .0133 .0034 .0005 0 .0035 0 |
|
Fe2 .1640 0 .5346 .0186 .0068 .0060 0 .0036 0 |
|
Fe3 .1072 .2451 .8002 .0147 .0066 .0073 -.0012 .0034 .0031 |
|
F1 .3669 .6248 .0088 .0304 .0100 .0182 .0027 .0015 -.0157 |
|
F2 .3754 .1318 .0192 .0287 .0105 .0076 -.0038 .0080 -.0022 |
|
F3 .2757 .2395 .1962 .0133 .0351 .0161 -.0116 .0030 -.0021 |
|
F4 .0058 .2198 .1951 .0165 .0339 .0191 .0017 .0010 .0044 |
|
F5 .4174 .1351 .3839 .0338 .0225 .0242 .0042 .0073 .0091 |
|
F6 .4017 .3803 .3829 .0322 .0288 .0421 .0046 .0035 -.0321 |
|
F7 .2315 .1221 .4593 .0368 .0431 .0113 -.0189 .0105 .0073 |
|
F8 .7533 0 .2333 .0302 .0301 .0054 0 -.0037 0 |
|
F9 .0990 0 .2985 .0549 .0480 .0000 0 -.0028 0 |
|
F10 .5718 0 .3176 .0352 .0192 .0177 0 .0102 0 |
|
|
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View JMOL 3-D Structure
|
| |
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