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ZnFeF5(H2O)2 |
| |
Laligant Y, Calage Y, Torres Tapia E, Greneche J, Varret F, Ferey G |
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Journal of Magnetism and Magnetic Materials 61 (1986) 283-290 |
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Crystal structure of the inverse weberite ZnFeF5(H2O)2, magnetic and Mossbauer |
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study of the antiferromagnet ZnFeF5(H2O)2 and ferrimagnet MnFeF5 |
|
_cod_database_code 1000247 |
|
_database_code_amcsd 0013056 |
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7.475 10.766 6.594 90 90 90 Imma |
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atom x y z |
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Zn1 0 0 0 |
|
Fe1 .25 .25 .25 |
|
F1 0 .25 .3318 |
|
F2 .2 .1234 .0509 |
|
Wat .5 .5651 .1971 |
|
|
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|
| |
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Ba2 Fe8 Ni3 O22 Sb2 |
| |
Fuchs G, Nguyen N, Greneche J, Groult D, Raveau B |
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Journal of Solid State Chemistry 61 (1986) 223-229 |
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Antiferromagnetic 6L-Hexagonal ferrites, Ba2Sb2M3Fe8O22 (M = Zn,Mg,Ni,Co) |
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_cod_database_code 1001674 |
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_database_code_amcsd 0013568 |
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5.882 5.882 14.237 90 90 120 P-3m1 |
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atom x y z occ |
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Ba1 1/3 2/3 .417 |
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Fe1 1/3 2/3 .955 |
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Ni1 0 0 .384 |
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Sb1 1/3 2/3 .680 .66 |
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Ni2 1/3 2/3 .680 .34 |
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Sb2 0 0 0 .67 |
|
Ni3 0 0 0 .33 |
|
Fe2 .174 .348 .172 |
|
O1 0 0 .236 |
|
O2 1/3 2/3 .084 |
|
O3 .163 .326 .909 |
|
O4 .496 .992 .228 |
|
O5 .183 .366 .585 |
|
|
| Download AMC data (View Text File)
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|
| |
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Fe1.21PO4X (X=F,OH,H2O) |
| |
Loiseau T, Lacorre P, Calage Y, Greneche J, Ferey G |
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Journal of Solid State Chemistry 105 (1993) 417-427 |
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Crystal structure and magnetic study of a new iron(III) phosphate, |
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Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O |
|
_cod_database_code 1000351 |
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_database_code_amcsd 0013783 |
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5.184 5.184 13.040 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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) |
|
Fe1 0 .0330 .4988 .303 .0107 .0112 .0122 0 0 -.0002 |
|
P1 0 .75 .125 .0104 .0104 .0118 0 0 0 |
|
O1 0 .5058 .1912 .0247 .0273 .0322 0 0 .0172 |
|
F1 0 .25 .375 .45 .0197 .0197 .0168 0 0 0 |
|
O2 0 .25 .375 .55 .0197 .0197 .0168 0 0 0 |
|
|
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|
| |
|
Cu3Fe4(VO4)6 |
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Lafontaine M, Greneche J, Laligant Y, Ferey G |
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Journal of Solid State Chemistry 108 (1994) 1-10 |
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beta-Cu3Fe4(VO4)6: Structural study and relationships; physical properties |
|
_cod_database_code 1000346 |
|
_database_code_amcsd 0013788 |
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6.600 8.048 9.759 106.08 103.72 102.28 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) |
|
Cu1 0 .5 .5 .0261 .0120 .0383 .0075 .0226 .0110 |
|
Cu2 .7226 .7085 .2093 .0121 .0207 .0354 .0067 .0132 .0156 |
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Fe1 .3805 .9487 .6078 .0057 .0115 .0124 .0023 .0019 .0070 |
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Fe2 .0410 .2035 .0091 .0055 .011 .0139 .0019 .0017 .0064 |
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V1 .8917 .8998 .6644 .004 .0094 .0090 .0009 .0012 .0036 |
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V2 .2208 .6546 .2699 .0048 .0105 .0102 .0030 .0015 .005 |
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V3 .5903 .2681 .1236 .0045 .0093 .0072 .0014 .0006 .0043 |
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O1 .0778 .0591 .1444 .0059 .0132 .0115 .0019 -.0033 .0047 |
|
O2 .5611 .1363 .2296 .0114 .0245 .0160 -.0028 .0003 .0039 |
|
O3 .1765 .4381 .1833 .0110 .0111 .0269 .0043 .0063 .0035 |
|
O4 .9960 .2843 .8319 .0088 .0255 .0127 .0069 .0060 .0036 |
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O5 .2396 .7842 .9721 .0102 .0303 .0284 .0120 .0103 .015 |
|
O6 .8715 .9775 .3506 .0101 .010 .0220 .0028 .0047 .0037 |
|
O7 .5267 .2340 .7345 .0114 .0291 .0306 .0047 .0152 .0219 |
|
O8 .3417 .2373 .9889 .0101 .0166 .0117 .0049 .0017 .006 |
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O9 .3314 .0362 .4267 .0089 .0286 .0180 .0066 .0104 .0146 |
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O10 .2077 .6913 .4518 .0152 .0181 .0187 .0079 .0015 .0015 |
|
O11 .6996 .4854 .2432 .0169 .0373 .0408 .0029 .0159 .0172 |
|
O12 .1301 .3131 .4202 .0158 .0256 .0162 -.0027 .0060 .0103 |
|
|
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|
| |
|
F32 Fe7 Na7 Sr2 |
| |
Hemon-Ribaud A, Greneche J, Courbion G |
| |
Journal of Solid State Chemistry 112 (1994) 82-91 |
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Synthesis, crystal structure, and magnetic study of Na7Sr2Fe7F32 |
|
_cod_database_code 1000360 |
|
_database_code_amcsd 0013822 |
|
10.372 10.805 44.98 90 90 90 *Fddd |
|
.125 .125 .125 |
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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) |
|
Sr1 .125 .125 .25704 .0127 .0203 .0145 .0041 0 0 |
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Fe1 .125 .125 .625 .0131 .0057 .0062 0 0 0 |
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Fe2 .5 .5 .5 .0067 .0073 .0105 -.0001 .0006 .0001 |
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Fe3 .1110 .3615 .18213 .0137 .0066 .0080 .0019 -.0003 .0003 |
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Na1 .125 .125 .125 .0383 .0051 .0100 0 0 0 |
|
Na2 .125 .125 .3793 .0379 .0598 .0175 .0238 0 0 |
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Na3 .1226 .3770 .3162 .0468 .0229 .0361 .0080 .0084 -.0026 |
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F1 .0024 .2780 .1547 .0295 .0257 .0215 .0016 -.0112 -.0086 |
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F2 .0680 .0040 .0378 .0216 .0173 .0206 .0041 -.0012 .0093 |
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F3 .1133 .3910 .2612 .0166 .0226 .0200 -.0110 .0026 .0021 |
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F4 .0195 .0370 .3012 .0162 .0153 .030 .0075 .0005 -.0030 |
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F5 .0119 .4478 .0416 .0148 .0202 .0139 .0033 .0011 .0051 |
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F6 .0008 .0247 .8351 .0209 .0245 .0209 .0063 -.0085 .0014 |
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F7 .1072 .4968 .0958 .1704 .0234 .0208 -.0010 .0027 -.0163 |
|
F8 .125 .125 .5081 .0281 .0328 .0247 -.0216 0 0 |
|
F9 .4478 .125 .125 .0141 .0659 .1889 0 0 -.0003 |
|
|
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|
| |
|
Ba Cu Fe O5 Y |
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Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B |
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Journal of Solid State Chemistry 114 (1995) 24-35 |
|
Crystal and magnetic structure of Y Ba Cu Fe O5 |
|
_cod_database_code 1001640 |
|
_database_code_amcsd 0013833 |
|
3.8751 3.8751 7.6790 90 90 90 P4/mmm |
|
atom x y z occ |
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Y1 0 0 .5 |
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Ba1 0 0 0 |
|
Cu1 .5 .5 .2854 .5 |
|
Fe1 .5 .5 .2525 .5 |
|
O1 .5 .5 0 |
|
O2 .5 0 .3156 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co Cu0.5 Fe0.5 O5 Y |
| |
Barbey L, Nguyen N, Ducouret A, Caignaert V, Greneche J, Raveau B |
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Journal of Solid State Chemistry 115 (1995) 514-520 |
|
Magnetic behaviour of the "112" type substituted cuprate YBaCoCu1-xFexO5 |
|
_cod_database_code 1001648 |
|
_database_code_amcsd 0013856 |
|
3.8785 3.8785 7.5441 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Co1 .5 .5 .2652 .5 |
|
Cu1 .5 .5 .2652 .25 |
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Fe1 .5 .5 .2652 .25 |
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O1 .5 0 .3123 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Cl F7 Ni2 |
| |
Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 131 (1997) 198-214 |
|
Magnetic properties and neutron diffraction study of the chlorofluoride |
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series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
|
_cod_database_code 1000447 |
|
_database_code_amcsd 0013926 |
|
7.602 5.766 8.788 90 106.72 90 P2_1/m |
|
atom x y z |
|
Ba1 .3111 .25 .5819 |
|
Ba2 .3073 .25 .0687 |
|
Ni1 .8245 .25 .7182 |
|
Ni2 .8152 .25 .1795 |
|
Cl1 .8832 .25 .4710 |
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F1 .6323 .0038 .1555 |
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F2 .0023 -.0035 .8269 |
|
F3 .6340 .0066 .6561 |
|
F4 .756 .25 .9363 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cl F7 Mn Ni |
| |
Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 131 (1997) 198-214 |
|
Magnetic properties and neutron diffraction study of the chlorofluoride |
|
series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
|
_cod_database_code 1000448 |
|
_database_code_amcsd 0013927 |
|
7.746 5.820 8.898 90 106.63 90 P2_1/m |
|
atom x y z occ |
|
Ba1 .323 .25 .576 |
|
Ba2 .323 .25 .081 |
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Mn1 .830 .25 .723 .5 |
|
Ni1 .830 .25 .723 .5 |
|
Mn2 .799 .25 .164 .5 |
|
Ni2 .799 .25 .164 .5 |
|
Cl1 .881 .25 .463 |
|
F1 .634 .004 .161 |
|
F2 -.027 -.032 .823 |
|
F3 .631 .009 .656 |
|
F4 .747 .25 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cl Co F7 Fe |
| |
Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 131 (1997) 198-214 |
|
Magnetic properties and neutron diffraction study of the chlorofluoride |
|
series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
|
_cod_database_code 1000449 |
|
_database_code_amcsd 0013928 |
|
7.749 5.771 8.950 90 106.80 90 P2_1/m |
|
atom x y z occ |
|
Ba1 .322 .25 .586 |
|
Ba2 .323 .25 .075 |
|
Fe1 .831 .25 .709 .5 |
|
Co1 .831 .25 .709 .5 |
|
Fe2 .819 .25 .172 .5 |
|
Co2 .819 .25 .172 .5 |
|
Cl1 .876 .25 .472 |
|
F1 .635 .008 .152 |
|
F2 .021 .043 .836 |
|
F3 .637 .002 .656 |
|
F4 .756 .25 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 Hg0.4325 O9 Pb0.4325 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
| |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001752 |
|
_database_code_amcsd 0014208 |
|
3.8056 3.8056 30.48199 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .4325 |
|
Hg1 0 0 0 .4325 |
|
Sr1 .5 .5 .0837 |
|
Sr2 .5 .5 .2062 |
|
Fe1 0 0 .1507 |
|
O1 .29 .5 0 .25 |
|
O2 0 0 .069 |
|
O3 .5 0 .1483 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.395 Fe2 O9 Pb0.395 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
| |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001753 |
|
_database_code_amcsd 0014209 |
|
3.8084 3.8084 30.45299 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .215 |
|
Cd1 0 0 0 .215 |
|
Pb2 .102 0 0 .045 |
|
Cd2 .102 0 0 .045 |
|
Sr1 .5 .5 .0826 |
|
Sr2 .5 .5 .2052 |
|
Fe1 0 0 .1484 |
|
O1 .249 .5 0 .25 |
|
O2 0 0 .0687 |
|
O3 .5 0 .1447 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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