American Mineralogist Crystal Structure Database

11 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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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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Cr5 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000461
_database_code_amcsd 0013511
7.2 7.2 10.679 90 90 120 P-3m1
atom      x       y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22765      .0328  .0328  .0574  .0164      0      0
Cs2     1/3     2/3 .37306      .0578  .0578  .0212  .0289      0      0
Cr1     1/3     2/3 .71642      .0170  .0170  .0118  .0085      0      0
Cr2      .5       0      0      .0162  .0100  .0164  .0050 -.0005 -.0009
F1   .20391 -.20391 .03982      .0302  .0302  .0442  .0047  .0074 -.0074
F2   .54121 -.54121 .17326      .0445  .0445  .0214  .0359 -.0008  .0008
F3   .79060 -.79060 .37818      .0568  .0568  .0268  .0457 -.0029  .0029
F4        0       0     .5 .24
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Co Cr4 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000462
_database_code_amcsd 0013512
7.203 7.203 10.761 90 90 120 P-3m1
atom      x       y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22510       .0415  .0415  .0741  .0208      0      0
Cs2     1/3     2/3 .37383       .0690  .0690  .0256  .0345      0      0
Cr1     1/3     2/3 .71764       .0157  .0157  .0114  .0078      0      0
Cr2      .5       0      0 .667  .0104  .0075  .0167  .0037 -.0021 -.0010
Co1      .5       0      0 .333  .0104  .0075  .0167  .0037 -.0021 -.0010
F1   .20494 -.20494 .03863       .0185  .0185  .0332  .0048  .0043 -.0043
F2   .54091 -.54091 .17336       .0337  .0337  .0221  .0272 -.0009  .0009
F3   .79331 -.79331 .37813       .0466  .0466  .0303  .0329  .0005 -.0005
F4        0       0     .5  .24
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Ba F7 Fe Mn
 
Lacorre P, Pannetier J, Pebler J, Nagel J, Babel D, de Kozak A, Samouel M, Ferey G
 
Journal of Solid State Chemistry 101 (1992) 296-308
Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated?
Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K
_cod_database_code 1000498
_database_code_amcsd 0013757
5.5075 10.9584 9.1427 90 94.568 90 P2_1/c
atom     x     y     z
Ba1  .2280 .1685 .0425
Mn1  .8103 .0631 .3803
Fe1  .6926 .1205 .7665
F1    .404 .2823 .2853
F2   .4993 .0299 .2515
F3   .1445 .3996 .0107
F4   .9837 .4835 .2807
F5   .0972 .7378 .2144
F6   .3466 .6469 .9398
F7   .7159 .4053 .4754
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Al Co F7 Na2
 
Boireau A, Gravereau P, Dance J, Tressaud A, Hagenmuller P, Soubeyroux J,
Welsch M, Babel D
 
Materials Research Bulletin 28 (1993) 27-38
Structural and magnetic properties of several cobalt(II) weberites
_cod_database_code 1008866
_database_code_amcsd 0016734
12.378 7.210 24.019 90 99.67 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)
Na1       0      0      0  .0345  .0214  .0350 -.0030 -.0079 -.0124
Na2       0     .5      0  .0277  .0442  .0453  .0063  .0159  .0183
Na3     .25    .25     .5  .0549  .0432  .0656  .0188  .0299  .0227
Na4       0  .7853    .25  .0387  .0268  .0478      0  .0201      0
Na5   .2531  .0456 .25339  .0238  .0218  .0276  .0044  .0011  .0085
Na6   .3732  .5089 .12145  .0317  .0474  .0142  .0017 -.0002 -.0104
Co1  .37760 .01138 .12761  .0077  .0088  .0091 -.0001  .0016 -.0005
Co2  .12666 .26382 .12600  .0083  .0079  .0086 -.0004  .0022  .0000
Al1     .25    .25      0  .0091  .0111  .0051 -.0003  .0020 -.0009
Al2       0  .2522    .25  .0086  .0098  .0062      0  .0015      0
Al3   .1264  .7651 .12584  .0075  .0063  .0097 -.0010  .0012  .0003
F1    .3320  .0930  .0470  .0190  .0252  .0133 -.0058  .0004 -.0087
F2    .1497  .2767  .0454  .0178  .0254  .0145 -.0041  .0094 -.0032
F3    .3277  .4493  .0313  .0202  .0207  .0142  .0058  .0016  .0026
F4    .0775  .0751  .2907  .0185  .0175  .0133 -.0040  .0002 -.0050
F5    .1051  .2580  .2067  .0163  .0249  .0125 -.0013  .0080 -.0015
F6    .4242 -.0628  .2092  .0194  .0192  .0148  .0052  .0009  .0057
F7    .2618 -.1845  .1126  .0108  .0177  .0263 -.0046  .0056 -.0002
F8    .4917  .2118  .1401  .0118  .0170  .0262  .0046  .0055  .0005
F9    .1738  .5305  .1401  .0178  .0078  .0228  .0005  .0012  .0008
F10   .0877  .7210  .0511  .0216  .0182  .0136 -.0039 -.0014 -.0037
F11   .0783 -.0015  .1115  .0182  .0083  .0220  .0016  .0010  .0019
F12   .1652  .8109  .2008  .0191  .0153  .0130  .0004 -.0010 -.0021
F13  -.0296  .3255  .0948  .0110  .0179  .0193  .0046  .0028 -.0019
F14   .2827  .1996  .1582  .0120  .0164  .0193 -.0034  .0027  .0029
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F4 H2 Mn O Tl
 
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J
 
Physica Status Solidi 127 (1991) 505-517
A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O
_cod_database_code 1008574
_database_code_amcsd 0016465
13.784 6.631 10.537 90 103.66 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)
Tl1  .08176 .73833 .43518  .0285  .0240  .0292  .0010  .0038 -.0010
Mn1     .25    .25     .5  .0109  .0143  .0163 -.0004  .0012  .0006
Mn2       0  .2443    .25  .0115  .0147  .0175      0  .0041      0
F1    .1088  .2515  .4356   .014   .041   .019   .000  -.001   .003
F2    .2512 -.0178  .4632   .029   .019   .040  -.003   .007  -.003
F3    .0688  .0494  .1852   .021   .028   .041   .009   .007  -.010
F4    .0707  .4385  .1870   .024   .030   .029  -.003   .009   .014
O1    .2692  .3296  .3036   .021   .031   .025  -.009   .000   .009
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F4 H2 Mn O Tl
 
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J
 
Physica Status Solidi 127 (1991) 505-517
A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O
_cod_database_code 1008575
_database_code_amcsd 0016466
13.6775 6.5865 10.3890 90 103.176 90 C2/c
atom     x      y     z
Tl1  .0803  .7355 .4345
Mn1    .25    .25    .5
Mn2      0   .264   .25
F1   .1072   .255 .4395
F2   .2493 -.0160 .4657
F3   .0712  .0444 .1857
F4   .0697  .4406 .1880
O1   .2658  .3260 .2985
H1   .3200   .394  .293
H2   .2021   .373  .249
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F4 H2 Mn O Rb
 
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J
 
Physica Status Solidi 127 (1991) 505-517
A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O
_cod_database_code 1008576
_database_code_amcsd 0016467
13.838 6.429 10.486 90 103.97 90 C2/c
atom    x     y    z
Rb1  .075  .753 .440
Mn1   .25   .25   .5
Mn2     0  .219  .25
F1   .108  .252 .448
F2   .256 -.021 .465
F3   .078  .039 .199
F4   .069  .464 .191
O1   .261  .323 .293
H1   .318  .413 .302
H2   .218  .392 .253
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Total number of retrieved datasets: 11
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