|
Ba2 Ca1.072 Co0.928 F14 Fe2 |
| |
Le Lirzin A, Quiang X, Darriet J, Soubeyroux J, Kaiser V, Pebler J, Babel D |
| |
European Journal of Solid State and Inorganic Chemistry 27 (1990) 791-803 |
|
Structural and magnetic properties of 1D bimetallic chains in |
|
Ba2CaCoFe2F14 and Ba2CaCoCr2F14 |
|
_cod_database_code 1008492 |
|
_database_code_amcsd 0016385 |
|
13.773 5.384 14.929 90 91.27 90 C2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .1920 .9526 .1196 .0098 .0117 .0127 .0015 -.0003 -.0010 |
|
Ca1 0 .4394 .25 .0131 .0088 .0081 0 .0010 0 |
|
Ca2 0 .5 0 .072 .0106 .0078 .0084 .0003 .0004 -.0012 |
|
Co1 0 .5 0 .928 .0106 .0078 .0084 .0003 .0004 -.0012 |
|
Fe1 .3822 .4915 .1234 .0093 .0072 .0088 -.0002 -.0004 .0003 |
|
F1 .1617 .2073 .2788 .0166 .014 .0117 -.0033 .0004 .0004 |
|
F2 .4177 .3147 .0166 .0215 .0118 .0134 .0053 -.0013 -.0026 |
|
F3 .3740 .2136 .2024 .0178 .014 .0213 .0017 .0027 .0070 |
|
F4 .3762 .2043 .5485 .0185 .0139 .0153 -.0013 .0027 -.0057 |
|
F5 .5110 .4148 .6580 .0102 .0178 .0174 -.0001 -.0008 .0057 |
|
F6 .2505 .4440 .0855 .0116 .0194 .0311 -.0013 -.0059 -.0002 |
|
F7 .4433 .0802 .3806 .0176 .0165 .0110 .0022 .0000 -.0008 |
|
|
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|
| |
|
Ba2 Ca1.17 Co0.83 F14 Fe2 |
| |
Le Lirzin A, Quiang X, Darriet J, Soubeyroux J, Kaiser V, Pebler J, Babel D |
| |
European Journal of Solid State and Inorganic Chemistry 27 (1990) 791-803 |
|
Structural and magnetic properties of 1D bimetallic chains in |
|
Ba2CaCoFe2F14 and Ba2CaCoCr2F14 |
|
_cod_database_code 1008493 |
|
_database_code_amcsd 0016386 |
|
13.780 5.395 14.970 90 91.22 90 C2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .1919 .9537 .1200 .0096 .0131 .0134 .0016 -.0002 -.0010 |
|
Ca1 0 .4410 .25 .0122 .0102 .0084 0 .0012 0 |
|
Ca2 0 .5 0 .17 .0095 .0089 .0091 .0003 .0004 -.0020 |
|
Co1 0 .5 0 .83 .0095 .0089 .0091 .0003 .0004 -.0020 |
|
Fe1 .3817 .4930 .1235 .0084 .0085 .0093 -.0003 -.0008 .0005 |
|
F1 .1614 .2088 .2786 .0154 .0164 .0125 -.0021 .0030 .0007 |
|
F2 .4167 .3169 .0167 .0214 .0165 .0129 .0046 -.0019 -.0018 |
|
F3 .3743 .2155 .2024 .0178 .0144 .0219 .0036 .0030 .0079 |
|
F4 .3751 .2044 .5484 .0187 .0132 .0165 -.0015 .0027 -.0051 |
|
F5 .5104 .4113 .6579 .0097 .0199 .0177 .0012 -.0005 .0074 |
|
F6 .2497 .4438 .0856 .0119 .0224 .0363 -.0013 -.0081 -.0011 |
|
F7 .4430 .0841 .3800 .0178 .0208 .0127 .0031 .0009 -.0028 |
|
|
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|
| |
|
Ba5 Cl Cu4 F17 |
| |
Fompeyrine J, Nazabal V, Darriet J, Courbion G |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 977-995 |
|
Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. |
|
Structural and magnetic properties |
|
_cod_database_code 1000397 |
|
_database_code_amcsd 0012600 |
|
10.731 10.731 12.803 90 90 120 P-62m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .7571 0 0 .0084 .0087 .0115 .0044 0 0 |
|
Ba2 1/3 2/3 .1623 .0098 .0098 .0076 .0049 0 0 |
|
Ba3 .2690 0 .6928 .0104 .0091 .0110 .0046 -.0017 0 |
|
Ba4 1/3 2/3 .5 .0109 .0109 .0064 .0054 0 0 |
|
Cu1 .4238 0 0 .0131 .0238 .0058 .0120 0 0 |
|
Cu2 .7582 0 .5 .0158 .0090 .0071 .0045 0 0 |
|
Cu3 .5969 0 .2648 .0088 .0079 .0088 .0040 .0007 0 |
|
Cl1 0 0 .5 .0129 .0129 .0421 .0064 0 0 |
|
Cl2 0 0 .8345 .0169 .0169 .0183 .0084 0 0 |
|
F1 .5726 .1449 .3358 .0202 .0130 .0162 .0083 .0003 -.0017 |
|
F2 .7589 .1460 .1884 .0119 .0130 .0132 .0057 .0003 .0018 |
|
F3 .6322 .7959 .5 .0118 .0107 .0184 .0015 0 0 |
|
F4 .4322 0 .1490 .0207 .0321 .0088 .0160 .0036 0 |
|
F5 .7708 0 .3557 .0208 .0210 .0059 .0105 -.0012 0 |
|
F6 .5309 .3686 0 .0135 .0150 .0119 .0115 0 0 |
|
F7 .2459 0 0 .0160 .0196 .0221 .0098 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F5 H2 Mn O Tl2 |
| |
Nunez P, Tressaud A, Darriet J, Hagenmuller P, Hahn G, Frenzen G, |
|
Massa W, Babel D, Boireau A, Soubeyroux J |
| |
Inorganic Chemistry 31 (1992) 770-774 |
|
A new linear chain compound: crystal and magnetic structures of |
|
Tl2MnF5.H2O |
|
_cod_database_code 1008532 |
|
_database_code_amcsd 0016425 |
|
9.688 8.002 8.339 90 90 90 Cmcm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .20826 .29754 .25 .0252 .0232 .0235 -.0059 0 0 |
|
Mn1 0 0 0 .0141 .0092 .0116 0 0 .0007 |
|
F1 0 -.0006 .25 .057 .056 .008 0 0 0 |
|
F2 .1876 0 0 .028 .034 .032 0 0 .013 |
|
F3 0 .2305 .0043 .043 .022 .029 0 0 .003 |
|
O1 .5 .0507 .25 .053 .025 .026 0 0 0 |
|
H1 .5 .1118 .1666 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 H2 Mn O Tl2 |
| |
Nunez P, Tressaud A, Darriet J, Hagenmuller P, Hahn G, Frenzen G, |
|
Massa W, Babel D, Boireau A, Soubeyroux J |
| |
Inorganic Chemistry 31 (1992) 770-774 |
|
A new linear chain compound: crystal and magnetic structures of |
|
Tl2MnF5.H2O |
|
_cod_database_code 1008533 |
|
_database_code_amcsd 0016426 |
|
9.526 7.861 8.317 90 90 90 Cmcm |
|
atom x y z |
|
Tl1 .2093 .2961 .25 |
|
Mn1 0 0 0 |
|
F1 0 -.014 .25 |
|
F2 .191 0 0 |
|
F3 0 .239 .015 |
|
O1 .5 .056 .25 |
|
H1 .5 .126 .152 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al2 Ba2 Cu F14 Mn |
| |
le Lirzin A, Soubeyroux J, Tressaud A, Georges R, Darriet J |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173-2189 |
|
Systemes magnetiques de basse dimensionnalite dans des fluorures de |
|
type usovite et jarlite |
|
_cod_database_code 1008570 |
|
_database_code_amcsd 0016461 |
|
13.663 5.213 14.326 90 91.49 90 C2/c |
|
atom x y z occ |
|
Ba1 .188 .987 .124 |
|
Mn1 0 .40 .25 .806 |
|
Cu1 0 .40 .25 .194 |
|
Cu2 0 .5 0 .806 |
|
Mn2 0 .5 0 .194 |
|
Al1 .369 .499 .113 |
|
F1 .149 .195 .279 |
|
F2 .429 .311 .028 |
|
F3 .372 .227 .199 |
|
F4 .361 .228 .542 |
|
F5 .504 .450 .660 |
|
F6 .252 .408 .094 |
|
F7 .448 .048 .381 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al2 Ba2 Co F14 Mn |
| |
le Lirzin A, Soubeyroux J, Tressaud A, Georges R, Darriet J |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173-2189 |
|
Systemes magnetiques de basse dimensionnalite dans des fluorures de |
|
type usovite et jarlite |
|
_cod_database_code 1008571 |
|
_database_code_amcsd 0016462 |
|
13.658 5.205 14.380 90 91.08 90 C2/c |
|
atom x y z occ |
|
Ba1 .192 .982 .121 |
|
Mn1 0 .47 .25 .76 |
|
Co1 0 .47 .25 .24 |
|
Co2 0 .5 0 .76 |
|
Mn2 0 .5 0 .24 |
|
Al1 .378 .454 .124 |
|
F1 .151 .195 .283 |
|
F2 .429 .320 .028 |
|
F3 .370 .218 .195 |
|
F4 .370 .230 .542 |
|
F5 .495 .387 .659 |
|
F6 .253 .430 .094 |
|
F7 .440 .065 .378 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba7 F34 Fe6 Mn |
| |
le Lirzin A, Soubeyroux J, Tressaud A, Georges R, Darriet J |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173-2189 |
|
Systemes magnetiques de basse dimensionnalite dans des fluorures de |
|
type usovite et jarlite |
|
_cod_database_code 1008650 |
|
_database_code_amcsd 0016538 |
|
17.06099 11.410 7.687 90 102.29 90 C2/m |
|
atom x y z |
|
Ba1 0 0 0 |
|
Ba2 .258 0 .112 |
|
Ba3 .148 .315 .328 |
|
Mn1 0 .5 .5 |
|
Fe1 .168 0 .571 |
|
Fe2 .106 .244 .793 |
|
F1 .384 .130 .029 |
|
F2 .129 .132 0 |
|
F3 .262 .243 .181 |
|
F4 .994 .222 .799 |
|
F5 .420 .138 .392 |
|
F6 .114 .125 .630 |
|
F7 .225 .106 .443 |
|
F8 .257 0 .78 |
|
F9 .127 0 .30 |
|
F10 .450 0 .67 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
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 |
|
F1 .6323 .0038 .1555 |
|
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 |
|
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
|
| |
|
Cd Cs4 F12 Ni3 |
| |
Dance J, Kerkouri N, Soubeyroux J, Darriet J, Tressaud A |
| |
Materials Letters 1 (1982) 49-52 |
|
Cationic substitutions in fluorides of hexagonal Perovskite type. III. |
|
The Cs Ni1-x Cdx F3 system. Crystal chemistry and trimeric magnetic |
|
interactions in Cs Ni.75 Cd.25 F3 |
|
_cod_database_code 1008268 |
|
_database_code_amcsd 0016190 |
|
6.21 6.21 30.0 90 90 120 R-3m |
|
atom x y z |
|
Cd1 0 0 0 |
|
Ni1 0 0 .5 |
|
Ni2 0 0 .4090 |
|
Cs1 0 0 .1313 |
|
Cs2 0 0 .2824 |
|
F1 .1435 -.1435 .4561 |
|
F2 .1627 -.1627 .6262 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 Ru |
| |
Darriet J, Soubeyroux J, Touhara H, Tressaud A, Hagenmueller P |
| |
Materials Research Bulletin 17 (1982) 315-324 |
|
Interactions magnetiques intra- et interclusters dans les |
|
pentafluorures Ru F5 Et Os F5 |
|
_cod_database_code 1008149 |
|
_database_code_amcsd 0016089 |
|
5.385 9.815 12.289 90 99.53 90 P2_1/c |
|
atom x y z |
|
Ru1 .001 .255 .002 |
|
Ru2 .3 .0025 .199 |
|
F1 .212 .080 .046 |
|
F2 .096 .327 .127 |
|
F3 .396 -.079 .318 |
|
F4 .504 .170 .258 |
|
F5 -.186 .425 -.049 |
|
F6 -.101 .175 -.138 |
|
F7 -.302 .175 .052 |
|
F8 .608 -.066 .154 |
|
F9 .011 .075 .254 |
|
F10 .299 .322 -.066 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 Os |
| |
Darriet J, Soubeyroux J, Touhara H, Tressaud A, Hagenmueller P |
| |
Materials Research Bulletin 17 (1982) 315-324 |
|
Interactions magnetiques intra- et interclusters dans les |
|
pentafluorures Ru F5 Et Os F5 |
|
_cod_database_code 1008150 |
|
_database_code_amcsd 0016090 |
|
5.403 9.866 12.336 90 99.13 90 P2_1/c |
|
atom x y z |
|
Os1 -.002 .255 .015 |
|
Os2 .309 .026 .201 |
|
F1 .167 .080 .059 |
|
F2 .094 .320 .131 |
|
F3 .417 -.066 .332 |
|
F4 .480 .179 .244 |
|
F5 -.161 .422 -.053 |
|
F6 -.060 .175 -.151 |
|
F7 -.311 .174 .042 |
|
F8 .558 -.069 .152 |
|
F9 .007 .068 .248 |
|
F10 .310 .325 -.050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca Cr2 Cu F14 |
| |
Qiang X, Darriet J, Tressaud A, Soubeyroux J, Hagenmuller P |
| |
Materials Research Bulletin 23 (1988) 637-645 |
|
New heteronuclear trimers in fluorides with Usovite-type structure |
|
_cod_database_code 1008380 |
|
_database_code_amcsd 0016289 |
|
13.724 5.314 14.702 90 91.47 90 C2/c |
|
atom x y z |
|
Ba1 .192 -.064 .118 |
|
Cr1 .372 .480 .125 |
|
Ca1 0 .436 .25 |
|
Cu1 0 .5 0 |
|
F1 .158 .198 .272 |
|
F2 .413 .292 .021 |
|
F3 .378 .200 .209 |
|
F4 .369 .227 .547 |
|
F5 .504 .417 .652 |
|
F6 .243 .418 .091 |
|
F7 .444 .049 .384 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca Cu F14 Fe2 |
| |
Qiang X, Darriet J, Tressaud A, Soubeyroux J, Hagenmuller P |
| |
Materials Research Bulletin 23 (1988) 637-645 |
|
New heteronuclear trimers in fluorides with Usovite-type structure |
|
_cod_database_code 1008381 |
|
_database_code_amcsd 0016290 |
|
13.748 5.366 14.811 90 91.47 90 C2/c |
|
atom x y z |
|
Ba1 .187 -.067 .118 |
|
Fe1 .382 .478 .127 |
|
Ca1 0 .428 .25 |
|
Cu1 0 .5 0 |
|
F1 .163 .205 .277 |
|
F2 .414 .298 .016 |
|
F3 .375 .210 .207 |
|
F4 .366 .230 .545 |
|
F5 .511 .426 .655 |
|
F6 .248 .421 .090 |
|
F7 .449 .068 .384 |
|
|
| 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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