American Mineralogist Crystal Structure Database

16 matching records for this search.

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
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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
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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 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
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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
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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
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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
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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
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
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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
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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
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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
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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
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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
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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
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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
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Total number of retrieved datasets: 16
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