|
FeSnF6.6H2O |
| |
Benghalem A, Leblanc M, Calage Y |
 |
Acta Crystallographica C46 (1990) 2453-2454 |
|
Room-temperature structure of iron(II) |
|
hexafluorostannate(IV)hexahydrate |
|
_database_code_amcsd 0010243 |
|
9.826 9.826 10.106 90 90 120 R-3 |
|
atom x y z Biso |
|
Fe 0 0 .5 1.99 |
|
Sn 0 0 0 1.67 |
|
F .1460 .1718 .1126 4.2 |
|
O .1840 .1701 .3813 4.8 |
|
H1 .310 .223 .411 6.0 |
|
H2 .161 .151 .271 6.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
ZnFeF5(H2O)2 |
| |
Laligant Y, Calage Y, Torres Tapia E, Greneche J, Varret F, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 61 (1986) 283-290 |
|
Crystal structure of the inverse weberite ZnFeF5(H2O)2, magnetic and Mossbauer |
|
study of the antiferromagnet ZnFeF5(H2O)2 and ferrimagnet MnFeF5 |
|
_cod_database_code 1000247 |
|
_database_code_amcsd 0013056 |
|
7.475 10.766 6.594 90 90 90 Imma |
|
atom x y z |
|
Zn1 0 0 0 |
|
Fe1 .25 .25 .25 |
|
F1 0 .25 .3318 |
|
F2 .2 .1234 .0509 |
|
Wat .5 .5651 .1971 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F6 Fe Nb |
| |
Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
|
Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
|
_cod_database_code 1000243 |
|
_database_code_amcsd 0013062 |
|
5.4201 5.4201 14.072 90 90 120 R-3 |
|
atom x y z |
|
F1 .2588 .3409 .0866 |
|
Fe1 0 0 0 |
|
Nb1 0 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F6 Fe Nb |
| |
Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
|
Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
|
_cod_database_code 1000244 |
|
_database_code_amcsd 0013063 |
|
5.3942 5.3942 14.1457 90 90 120 R-3 |
|
atom x y z |
|
F1 .2674 .3504 .0883 |
|
Fe1 0 0 0 |
|
Nb1 0 0 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F6 Fe Nb |
| |
Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
|
Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
|
_cod_database_code 1000245 |
|
_database_code_amcsd 0013064 |
|
7.793 7.7398 7.7435 86.585 87.046 86.138 P-1 |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 0 .5 .5 |
|
Fe3 .5 .5 0 |
|
Fe4 .5 0 .5 |
|
Nb1 .5 0 0 |
|
Nb2 0 .5 0 |
|
Nb3 0 0 .5 |
|
Nb4 .5 .5 .5 |
|
F1 .0449 .2508 -.0583 |
|
F2 -.0583 .0449 .2508 |
|
F3 .2508 -.0583 .0449 |
|
F4 .0449 .7508 .4417 |
|
F5 .4417 .0449 .7508 |
|
F6 .7508 .4417 .0449 |
|
F7 .5449 .7508 -.0583 |
|
F8 -.0583 .5449 .7508 |
|
F9 .7508 -.0583 .5449 |
|
F10 .5449 .2508 .4417 |
|
F11 .4417 .5449 .2508 |
|
F12 .2508 .4417 .5449 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F6 Fe Nb |
| |
Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
|
Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
|
_cod_database_code 1000246 |
|
_database_code_amcsd 0013065 |
|
7.7994 7.7143 7.7206 86.483 86.968 85.687 P-1 |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 0 .5 .5 |
|
Fe3 .5 .5 0 |
|
Fe4 .5 0 .5 |
|
Nb1 .5 0 0 |
|
Nb2 0 .5 0 |
|
Nb3 0 0 .5 |
|
Nb4 .5 .5 .5 |
|
F1 .0576 .2441 -.0527 |
|
F2 -.0527 .0576 .2441 |
|
F3 .2441 -.0527 .0576 |
|
F4 .0576 .7441 .4473 |
|
F5 .4473 .0576 .7441 |
|
F6 .7441 .4473 .0576 |
|
F7 .5576 .7441 -.0527 |
|
F8 -.0527 .5576 .7441 |
|
F9 .7441 -.0527 .5576 |
|
F10 .5576 .2441 .4473 |
|
F11 .4473 .5576 .2441 |
|
F12 .2441 .4473 .5576 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F3 Fe H0.66 O0.33 |
| |
Leblanc M, Ferey G, Chevalier P, Calage Y, de Pape R |
| |
Journal of Solid State Chemistry 47 (1983) 53-58 |
|
Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H2O)0.33FeF3; |
|
Crystal Structure, Magnetic Properties, Dehydration to a New Form of |
|
Iron Trifluoride |
|
_cod_database_code 1000187 |
|
_database_code_amcsd 0013503 |
|
7.423 12.730 7.526 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) |
|
Fe1 0 .5 0 .0084 .0065 .0066 0 0 -.0001 |
|
Fe2 .25 .25 0 .0061 .0088 .0073 .0010 .0002 -.0001 |
|
F1 0 .2156 .5511 .0072 .0244 .0176 0 0 .0017 |
|
F2 .1876 .3962 .0434 .0193 .0124 .0199 .0062 -.0025 -.0009 |
|
F3 0 .5286 .25 .023 .0133 .0066 0 0 0 |
|
F4 .2101 .2176 .25 .0179 .0201 .0078 -.0002 0 0 |
|
O1 0 -.0006 .25 .0519 .0410 .0721 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F8 Fe3 H4 O2 |
| |
Leblanc M, Ferey G, Calage Y, De Pape R |
| |
Journal of Solid State Chemistry 53 (1984) 360-368 |
|
Idle spin behavior of the shifted hexagonal tungsten bronze type |
|
compounds Fe Fe2 F8 (H2O)2 and Mn Fe2 F8 (H2O)2 |
|
_cod_database_code 1000193 |
|
_database_code_amcsd 0013528 |
|
7.609 7.514 7.453 90 118.21 90 C2/m |
|
atom x y z |
|
Fe1 0 .5 0 |
|
Fe2 .25 .25 .5 |
|
Wat .2423 0 .0435 |
|
F1 0 .2925 .5 |
|
F2 .1845 0 .4411 |
|
F3 .1277 .2952 .2138 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3 Mn3 O8.02 |
| |
Nguyen N, Calage Y, Varret F, Ferey G, Caignaert V, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 53 (1984) 398-405 |
|
The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly |
|
frustrated antiferromagnet |
|
_cod_database_code 1000194 |
|
_database_code_amcsd 0013529 |
|
5.332 11.13 5.455 90 90 90 Pm2a |
|
atom x y z occ |
|
Ca1 .25 .5 .75 |
|
Ca2 .24 .183 .7 .5 |
|
Ca3 .24 .834 .7 .5 |
|
Mn1 .27 .332 .259 .5 |
|
Mn2 .25 .665 .255 |
|
Mn3 .232 0 .237 .5 |
|
O1 0 .329 0 |
|
O2 0 .665 0 |
|
O3 0 .33 .5 |
|
O4 0 .66 .5 |
|
O5 .25 .5 .25 .7 |
|
O6 .25 .17 .25 |
|
O7 .25 .829 .25 |
|
O8 0 .01 0 |
|
O9 0 .01 .5 .3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F6 Fe2 Li |
| |
Fourquet J, LeSamedi E, Calage Y |
| |
Journal of Solid State Chemistry 77 (1988) 84-89 |
|
Le trirutile ordonne Li Fe2 F6: Croissance cristalline et etude structurale |
|
_cod_database_code 1000239 |
|
_database_code_amcsd 0013624 |
|
4.679 4.679 9.324 90 90 90 P4_2nm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li1 0 0 .6664 .0165 .0165 .0107 .0153 0 0 |
|
Fe1 0 0 .3339 .0079 .0079 .0077 -.0022 0 0 |
|
Fe2 0 0 0 .0077 .0077 .0070 -.0002 0 0 |
|
F1 .6938 .6938 .6568 .0122 .0122 .0081 -.0045 .0002 .0002 |
|
F2 .2914 .2914 .0026 .0128 .0128 .0121 -.0055 -.0017 -.0017 |
|
F3 .3053 .3053 .3440 .0148 .0148 .0124 -.0052 -.0018 -.0018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
|
Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
|
Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
|
4.2 and 55 K |
|
_cod_database_code 1000257 |
|
_database_code_amcsd 0013630 |
|
7.2338 10.3050 7.4529 90 90 90 Imma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 0 .0236 .0568 .0190 0 0 .0189 |
|
Na2 .25 .25 .75 .0223 .0230 .0667 0 -.0036 0 |
|
Ni1 .25 .25 .25 .0068 .0066 .0082 0 .0011 0 |
|
Fe1 0 0 .5 .0090 .0084 .0083 0 0 .0025 |
|
F1 0 .25 .1473 .0074 .0286 .0177 0 0 0 |
|
F2 0 .4109 .7299 .0229 .0207 .0109 0 0 .0016 |
|
F3 .1960 .3840 .4348 .0162 .0188 .0290 .0051 .0011 -.0108 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
|
Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
|
Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
|
4.2 and 55 K |
|
_cod_database_code 1000258 |
|
_database_code_amcsd 0013631 |
|
7.203 10.255 7.429 90 90 90 Imma |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .25 .25 .75 |
|
Ni1 .25 .25 .25 |
|
Fe1 0 0 .5 |
|
F1 0 .25 .143 |
|
F2 0 .417 .733 |
|
F3 .196 .377 .429 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
|
Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
|
Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
|
4.2 and 55 K |
|
_cod_database_code 1000259 |
|
_database_code_amcsd 0013632 |
|
7.203 10.256 7.429 90 90 90 Imma |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .25 .25 .75 |
|
Ni1 .25 .25 .25 |
|
Fe1 0 0 .5 |
|
F1 0 .25 .146 |
|
F2 0 .416 .734 |
|
F3 .196 .376 .428 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe1.21PO4X (X=F,OH,H2O) |
| |
Loiseau T, Lacorre P, Calage Y, Greneche J, Ferey G |
| |
Journal of Solid State Chemistry 105 (1993) 417-427 |
|
Crystal structure and magnetic study of a new iron(III) phosphate, |
|
Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O |
|
_cod_database_code 1000351 |
|
_database_code_amcsd 0013783 |
|
5.184 5.184 13.040 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) |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu6 Fe0.9 O19 V6 |
| |
Permer L, Laligant Y, Ferey G, Calage Y |
| |
Journal of Solid State Chemistry 107 (1993) 539-546 |
|
Crystal structure, magnetic, and Moessbauer studies of |
|
Cu6Fe0.9V6O19: a compound with relaxation effect |
|
_cod_database_code 1000354 |
|
_database_code_amcsd 0013787 |
|
12.9399 12.9399 7.1275 90 90 120 R-3 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .0419 .7627 .0997 .0164 .0152 .0189 .0109 -.0005 .0000 |
|
Fe1 0 0 0 .9 .0111 .0111 .0078 .0055 0 0 |
|
V1 .1552 .0204 .3292 .0072 .0091 .0082 .0043 .0004 .0001 |
|
O1 .4801 .5768 .1699 .0091 .0106 .0101 .0068 .0022 .0018 |
|
O2 .4566 .6837 .4823 .0083 .0096 .0096 .0040 .0000 -.0002 |
|
O3 0 0 .5 .0079 .007 .0081 .0040 0 0 |
|
O4 .5980 .7009 .8546 .0111 .0157 .0091 .0080 .0015 -.0005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al F5 Fe |
| |
Fourquet J, Calage Y, Bentrup U |
| |
Journal of Solid State Chemistry 108 (1994) 189-192 |
|
FeAlF5: Synthesis and crystal structure |
|
_cod_database_code 1000363 |
|
_database_code_amcsd 0013792 |
|
7.4289 6.203 3.5574 90 90 90 Immm |
|
atom x y z |
|
Fe1 0 0 0 |
|
Al1 0 .5 .5 |
|
F1 .742 0 0 |
|
F2 .5 0 .5 |
|
F3 0 .209 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F Fe H4 N O4 P |
| |
Loiseau T, Calage Y, Lacorre P, Ferey G |
| |
Journal of Solid State Chemistry 111 (1994) 390-396 |
|
NH4FePO4F: structural study and magnetic properties |
|
_cod_database_code 1000359 |
|
_database_code_amcsd 0013817 |
|
12.993 6.468 10.640 90 90 90 Pna2_1 |
|
atom x y z |
|
Fe1 .3868 .4911 .0007 |
|
Fe2 .2471 .253 .2508 |
|
P1 .5015 .3289 .2498 |
|
P2 .1841 .4994 .5035 |
|
F1 .2748 .4717 .1298 |
|
F2 .2279 .0327 .3801 |
|
O1 .4867 .4729 .1355 |
|
O2 .5168 .4686 .3659 |
|
O3 .4037 .2024 .2694 |
|
O4 .5964 .1893 .2304 |
|
O5 .1164 .3098 .5320 |
|
O6 .1166 .6904 .4756 |
|
O7 .2538 .5487 .6163 |
|
O8 .2552 .4570 .3889 |
|
N1 .3897 .7825 .3131 |
|
N2 .0996 .6780 .0646 |
|
H1 .393 .910 .327 |
|
H2 .390 .761 .235 |
|
H3 .335 .733 .344 |
|
H4 .441 .724 .346 |
|
H5 .132 .672 0 |
|
H6 .117 .584 .110 |
|
H7 .039 .666 .050 |
|
H8 .110 .785 .099 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
F5 Fe H8 N2 |
| |
Croguennec L, Deniard P, Brec R, Couzi M, Sourisseau C, Fourquet J, Calage Y |
| |
Journal of Solid State Chemistry 131 (1997) 189-197 |
|
Structural and spectroscopic evidence for hydrogen bonding induced (N |
|
H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature |
|
_cod_database_code 1000445 |
|
_database_code_amcsd 0013924 |
|
6.3385 7.6191 11.0298 90 90 90 Pnma |
|
atom x y z |
|
N1 .428 .25 .1958 |
|
N2 .510 .25 .8584 |
|
Fe1 0 0 0 |
|
F1 .0880 .25 .0082 |
|
F2 .2271 .0521 .4367 |
|
F3 .1051 .5265 .1595 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
F5 Fe H8 N2 |
| |
Croguennec L, Deniard P, Brec R, Couzi M, Sourisseau C, Fourquet J, Calage Y |
| |
Journal of Solid State Chemistry 131 (1997) 189-197 |
|
Structural and spectroscopic evidence for hydrogen bonding induced (N |
|
H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature |
|
_cod_database_code 1000446 |
|
_database_code_amcsd 0013925 |
|
6.3269 7.6076 10.9802 90 90 90 Pnma |
|
atom x y z |
|
N1 .442 .25 .198 |
|
N2 .512 .25 .854 |
|
Fe1 0 0 0 |
|
F1 .081 .25 -.002 |
|
F2 .225 .045 .442 |
|
F3 .102 .546 .163 |
|
H1 .426 .3573 .872 |
|
H2 .64 .25 .90 |
|
H3 .55 .25 .766 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba7 F26.7 Fe6 H9.3 O7.3 |
| |
Crosnier-Lopez M, Calage Y, Duroy H, Fourquet J |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1025-1032 |
|
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new |
|
defective jarlite-type compound |
|
_cod_database_code 1000374 |
|
_database_code_amcsd 0015811 |
|
17.036 11.489 7.620 90 101.48 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 0 0 0 .0103 .0079 .0136 0 .0014 0 |
|
Ba2 .2646 0 .1298 .0135 .0114 .0140 0 .0049 0 |
|
Ba3 .1413 .2957 .3024 .0142 .0198 .0130 -.0011 .0032 -.0016 |
|
Fe1 .1740 0 .5443 .0128 .0083 .0097 0 .0027 0 |
|
Fe2 .1106 .2433 .7982 .0132 .0095 .0107 .0002 .0059 .0001 |
|
F1 .3844 .1306 .0327 .8344 .0283 .0154 .0147 -.0009 .0113 -.0082 |
|
O1 .3844 .1306 .0327 .1656 .0283 .0154 .0147 -.0009 .0113 -.0082 |
|
F2 .4059 .1436 .3891 .8344 .0300 .0378 .0202 .0071 .0099 .0124 |
|
O2 .4059 .1436 .3891 .1656 .0300 .0378 .0202 .0071 .0099 .0124 |
|
F3 .2770 .2427 .1898 .8344 .0189 .0238 .0228 -.0059 .0107 -.0002 |
|
O3 .2770 .2427 .1898 .1656 .0189 .0238 .0228 -.0059 .0107 -.0002 |
|
F4 .1328 .1321 .9981 .8344 .0168 .0140 .0273 .0005 .0061 .0069 |
|
O4 .1328 .1321 .9981 .1656 .0168 .0140 .0273 .0005 .0061 .0069 |
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F5 .2372 .1173 .4554 .8344 .0284 .0202 .0231 -.0097 .0063 .0056 |
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O5 .2372 .1173 .4554 .1656 .0284 .0202 .0231 -.0097 .0063 .0056 |
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F6 .0005 .2079 .7935 .8344 .0145 .0191 .0270 .0003 .0043 .0028 |
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O6 .0005 .2079 .7935 .1656 .0145 .0191 .0270 .0003 .0043 .0028 |
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F7 .1086 .1213 .6152 .8344 .0306 .0373 .0387 .0068 -.0012 -.0291 |
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O7 .1086 .1213 .6152 .1656 .0306 .0373 .0387 .0068 -.0012 -.0291 |
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F8 .2560 0 .7614 .8344 .0159 .0262 .0201 0 .0033 0 |
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O8 .2560 0 .7614 .1656 .0159 .0262 .0201 0 .0033 0 |
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F9 .1112 0 .3055 .8344 .0282 .0527 .0132 0 .0002 0 |
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O9 .1112 0 .3055 .1656 .0282 .0527 .0132 0 .0002 0 |
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O10 .4600 0 .7325 .0418 .0245 .0422 0 .0143 0 |
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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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Ba7 F32 Fe6 H4 O2 |
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Crosnier-Lopez M, Calage Y, Duroy H, Fourquet J |
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Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1025-1032 |
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Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new |
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defective jarlite-type compound |
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_cod_database_code 1000375 |
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_database_code_amcsd 0015812 |
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17.02299 11.482 7.624 90 101.13 90 C2/m |
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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 0 0 0 .0084 .0090 .0132 0 .0005 0 |
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Ba2 .2644 0 .1287 .0121 .0118 .0135 0 .0033 0 |
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Ba3 .1407 .2946 .3026 .0120 .0208 .0130 -.0016 .0018 -.0020 |
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Fe1 .1754 0 .5445 .0113 .0088 .0079 0 .0015 0 |
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Fe2 .1109 .2432 .7998 .0109 .0103 .0104 -.0009 .0032 -.0003 |
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F1 .3852 .1312 .0323 .0249 .0165 .0174 -.0032 .0085 -.0057 |
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F2 .4059 .1437 .3878 .0378 .0309 .0176 .0119 .0098 .0112 |
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F3 .2767 .2413 .1884 .0128 .0247 .0192 -.0042 .0067 -.0010 |
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F4 .1331 .1322 .9990 .0130 .0165 .0245 -.0004 .0007 .0107 |
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F5 .2383 .1171 .4548 .0245 .0234 .0192 -.0095 .0010 .0050 |
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F6 .0013 .2075 .7968 .0103 .0183 .0274 .0017 .0031 .0025 |
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F7 .1104 .1198 .6193 .0234 .0372 .0431 .0103 -.0043 -.0300 |
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F8 .2568 0 .7600 .0204 .0252 .0093 0 -.0024 0 |
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F9 .1129 0 .3083 .0213 .0453 .0134 0 -.0043 0 |
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O10 .4610 0 .7342 .0364 .0302 .0509 0 .020 0 |
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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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