American Mineralogist Crystal Structure Database

238 matching records for this search.

Ba Er2 Ni O5
 
Alonso J, Amador J, Rasines I, Soubeyroux J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=249
Acta Crystallographica C47 (1991) 249-251
Er2BaNiO5: Structure refinement using neutron powder diffraction data
_cod_database_code 1008460
_database_code_amcsd 0016364
3.7541 5.7442 11.3019 90 90 90 Immm
atom  x     y     z occ
Ba1   0    .5     0
Er1   0     0 .2028
Ni1  .5     0     0
O1   .5 .2418 .1487
O2    0     0     0 .99
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Cu O12 P3 Zr2
 
Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J,
Olazcuaga R, Le Flem G
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Acta Crystallographica C48 (1992) 1741-1744
Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction
_cod_database_code 1008577
_database_code_amcsd 0016468
8.9018 8.9018 22.2021 90 90 120 R-3c
atom     x      y     z   occ
Cu1  .0454 -.0977 .0007 .1667
Zr1      0      0 .1419
P1   .2861      0   .25
O1   .1839 -.0082 .1915
O2   .1949    1/6 .0832
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Cu O12 P3 Zr2
 
Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J,
Olazcuaga R, Le Flem G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=48&spage=1741
Acta Crystallographica C48 (1992) 1741-1744
Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction
_cod_database_code 1008578
_database_code_amcsd 0016469
8.892 8.892 22.190 90 90 120 R-3c
atom    x     y    z   occ
Cu1  .046 -.093    0 .1667
Zr1     0     0 .142
P1   .286     0  .25
O1   .187 -.009 .194
O2   .198  .171 .085
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Cu0.5 O12 P3 Ti2
 
Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J
 
Advanced Materials Research 1 (1994) 177-188
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3
and D0.5 Cu(I)0.5 Zr2 (P O4)3
_cod_database_code 1008727
_database_code_amcsd 0016608
8.46 8.46 21.879990000 90 90 120 R-3
atom     x      y     z  occ
Cu1   .431   .103 .3685 .167
Ti1      0      0 .1452
Ti2      0      0 .6421
P1   .2863  .0023 .2508
O1   .1783 -.0147 .1934
O2   .7931  .9450 .6946
O3   .2784  .8226 .2621
O4   .5193  .8456 .7556
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Cu0.516 D0.36 O12 P3 Zr2
 
Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J
 
Advanced Materials Research 1 (1994) 177-188
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3
and D0.5 Cu(I)0.5 Zr2 (P O4)3
_cod_database_code 1008728
_database_code_amcsd 0016609
8.84 8.84 22.31 90 90 120 R-3c
atom     x      y     z  occ
Cu1  -.023   .121  .006 .086
D1    .374   .502  .120 .060
Zr1      0      0 .1408
P1   .2825      0   .25
O1   .1789 -.0198 .1956
O2   .2007  .1721 .0881
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Barringerite
Download hom/barringerite.pdf
Koumina A, Bacmann M, Fruchart D, Soubeyroux J, Wolfers P, Tobola J,
Kaprzyk S, Niziol S, Mesnaoui M, Zach R
 
Annales de Chimie 23 (1998) 177-180
Crystallographic and magnetic properties of Fe2P
_cod_database_code 1008826
_database_code_amcsd 0016695
5.69 5.69 3.458 90 90 120 P-62m
atom    x   y  z
Fe1  .256   0  0
Fe2  .596   0 .5
P1      0   0 .5
P2    1/3 2/3  0
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Perovskite group
 
Dance J, Soubeyroux J, Kerkouri N, Tressaud A
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 293 (1981) 279-293
Chimie de solide - structure magnetique de la phase Rb0.5 Cs0.5 Co F3
de type perovskite hexagonale 6H
_cod_database_code 1008789
_database_code_amcsd 0016661
5.984 5.984 14.559 90 90 120 P6_3/mmc
atom     x     y     z occ
Rb1      0     0   .25  .5
Cs1      0     0   .25  .5
Rb2    1/3   2/3 .0891  .5
Cs2    1/3   2/3 .0891  .5
Co1      0     0     0
Co2    1/3   2/3 .8551
F1   .5144 .0288   .25
F2   .8362 .6724 .0765
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Co1.88 Fe0.1 As
 
Artigas M, Bacmann M, Fruchart D, Fruchart R, Soubeyroux J, Wolfers P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 313 (1991) 635-640
Analyse comparative des modifications structurales alpha et beta de Co2As
_cod_database_code 1008516
_database_code_amcsd 0016409
6.0300 6.0300 3.5325 90 90 120 P-62m
atom     x   y  z occ
Co1  .2573   0 .5 .94
Fe1  .2573   0 .5 .05
Co2  .5956   0  0 .94
Fe2  .5956   0  0 .05
As1      0   0  0
As2    1/3 2/3 .5
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Co2As
 
Artigas M, Bacmann M, Fruchart D, Fruchart R, Soubeyroux J, Wolfers P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 313 (1991) 635-640
Analyse comparative des modifications structurales alpha et beta de Co2As
_cod_database_code 1008517
_database_code_amcsd 0016410
11.9867 11.9867 3.5875 90 90 120 P-62m
atom     x     y  z
Co1   .299     0  0
Co2   .803     0  0
Co3  .1703 .5395 .5
Co4   .124     0 .5
Co5   .631     0 .5
Co6  .1744 .7099  0
As1      0     0  0
As2  .5029     0  0
As3  .3372 .1602 .5
As4    1/3   2/3  0
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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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Fe4 H3 O15 P3
 
Malaman M, Ijjaali M, Venturini G, Gleitzer C, Soubeyroux J
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 519-531
Neutron diffraction study of Fe4(PO4)3(OH)3: occurrence of
ferromagnetic Fe2O9 clusters
_cod_database_code 1008553
_database_code_amcsd 0016444
19.58 7.388 7.451 90 102.32 90 C2/c
atom     x     y     z
Fe1  .0757 .7236 .1561
Fe2  .3304 .5126 .1472
P1   .1688 .6347 .5857
P2       0 .8835   .75
O1      .5 .1225   .25
O2   .3365 .3715 .4013
O3   .0198 .2346 .4202
O4   .1125 .5013  .106
O5   .3142 .7422 .2455
O6   .1426 .7569 .4143
O7   .4367 .4936 .2595
O8   .2339 .4660 .0649
H1    .295  .719  .869
H2       0  .475   .25
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Cr Cu2 O12 P3 Zr
 
Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 337-346
Evidence of copper pairing in Cu2^I^CrZr(PO4/4)3, a crystallographic study
_cod_database_code 1008543
_database_code_amcsd 0016434
8.7449 8.7449 21.819 90 90 120 R-3c
atom     x      y     z   occ
Cu1   .039   .156 .0046  .260
Cu2   .650   .074  .295 .0733
Zr1      0      0 .1413    .5
Cr1      0      0 .1413    .5
P1   .2884      0   .25
O1   .1830 -.0113 .1931
O2   .1959  .1697 .0849
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001452
_database_code_amcsd 0012633
3.8128 3.8806 11.6303 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1826
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3542
O1    0  0 .1595
O2   .5  0 .3773
O3    0 .5 .3769
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001453
_database_code_amcsd 0012634
3.8124 3.8807 11.6303 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1830
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3543
O1    0  0 .1592
O2   .5  0 .3764
O3    0 .5 .3773
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001454
_database_code_amcsd 0012635
3.8131 3.8806 11.6329 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1827
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3547
O1    0  0 .1590
O2   .5  0 .3771
O3    0 .5 .3773
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001455
_database_code_amcsd 0012636
3.8141 3.8812 11.6395 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1827
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3545
O1    0  0 .1588
O2   .5  0 .3775
O3    0 .5 .3770
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001456
_database_code_amcsd 0012637
3.8164 3.8824 11.6546 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1841
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3547
O1    0  0 .1587
O2   .5  0 .3768
O3    0 .5 .3776
O4    0 .5     0
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Ba2 Cu3 O7 Y
 
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B,
Soubeyroux J, Tholence J, Tournier R
 
Europhysics Letters 3 (1987) 1301-1307
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
Neutron Powder Diffraction
_cod_database_code 1001457
_database_code_amcsd 0012638
3.8206 3.8851 11.6757 90 90 90 Pmmm
atom  x  y     z
Ba1  .5 .5 .1841
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3549
O1    0  0 .1581
O2   .5  0 .3779
O3    0 .5 .3777
O4    0 .5     0
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Al6 O18 Sr9
 
Alonso J, Rasines I, Soubeyroux J
 
Inorganic Chemistry 29 (1990) 4768-4771
Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite
_cod_database_code 1008450
_database_code_amcsd 0016355
15.8476 15.8476 15.8476 90 90 90 Pa3
atom     x      y      z
Sr1      0      0      0
Sr2     .5      0      0
Sr3  .2521  .2521  .2521
Sr4  .3765  .3765  .3764
Sr5  .1345  .3745  .1332
Sr6  .3793  .3852  .1242
Al1  .2520  .0164  .0184
Al2  .2392  .2345  .0041
O1   .2631  .1257  .0032
O2   .4930  .1275  .2448
O3   .2697  .2762  .1001
O4   .2352  .4065  .2804
O5   .3458 -.0261 -.0188
O6   .1544 -.0175 -.0177
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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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D5.97 La0.98 Mn1.13 Ni3.89
 
Achard J, Givord F, Percheron-Guegan A, Soubeyroux J
 
Journal de Physique 40 (1979) 218-220
Neutron study of Al or Mn substituted La Ni5 hydrogen sponges
_cod_database_code 1009069
_database_code_amcsd 0016930
5.437 5.437 4.332 90 90 120 P6/mmm
atom    x    y    z  occ
La1     0    0    0 .979
Ni1     0    0    0 .021
Ni2   1/3  2/3    0 .885
Mn1   1/3  2/3    0 .115
Ni3    .5    0   .5 .700
Mn2    .5    0   .5 .300
D1     .5    0    0 .197
D2    1/3  2/3  .38 .082
D3   .133 .266   .5 .320
D4   .452    0 .117 .176
D5   .227 .454  .38 .085
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Al1.06 D5.11 La0.98 Ni3.96
 
Achard J, Givord F, Percheron-Guegan A, Soubeyroux J
 
Journal de Physique 40 (1979) 218-220
Neutron study of Al or Mn substituted La Ni5 hydrogen sponges
_cod_database_code 1009070
_database_code_amcsd 0016931
5.310 5.310 4.249 90 90 120 P6/mmm
atom    x    y    z  occ
La1     0    0    0 .976
Ni1     0    0    0 .024
Ni2   1/3  2/3    0  .94
Al1   1/3  2/3    0  .06
Ni3    .5    0   .5 .687
Al2    .5    0   .5 .313
D1     .5    0    0 .043
D2   .132 .264   .5 .313
D3   .438    0 .112  .22
D4   .233 .466  .34 .038
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F3.2 Fe0.8 Zr0.2
 
Ruchaud N, Grannec J, Hagenmuller P, Soubeyroux J
 
Journal of Alloys and Compounds 183 (1992) 263-270
A neutron diffraction study of the anion-excess cubic ReO3-type
derived phase Fe.8Zr.2F3.2
_cod_database_code 1008534
_database_code_amcsd 0016427
7.6827 7.6827 7.6827 90 90 90 Fm3m
atom   x     y     z   occ
Fe1    0     0 .0122    .4
Zr1    0     0 .0122    .1
Fe2   .5    .5 .5122    .4
Zr2   .5    .5 .5122    .1
F1   .25 .0225 .0225 .7075
F2   .25  .141  .073 .0463
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F3.2 Fe0.8 Zr0.2
 
Ruchaud N, Grannec J, Hagenmuller P, Soubeyroux J
 
Journal of Alloys and Compounds 183 (1992) 263-270
A neutron diffraction study of the anion-excess cubic ReO3-type
derived phase Fe0.80Zr0.20F3.20
_cod_database_code 1008562
_database_code_amcsd 0016453
3.8413 3.8413 3.8413 90 90 90 Pm3m
atom  x    y    z   occ
Fe1   0    0 .024 .1333
Zr1   0    0 .024 .0333
F1   .5 .045 .045 .2358
F2   .5  .28  .15 .0154
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008579
_database_code_amcsd 0016470
8.597 8.597 12.489 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3396
Fe1      0     0 .0929
Fe2     .5     0    .5
Fe3  .2856     0     0
Fe4  .5015 .4985 .1567
C1      .5     0     0 .092
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008580
_database_code_amcsd 0016471
8.643 8.643 12.516 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3430
Fe1      0     0 .0953
Fe2     .5     0    .5
Fe3  .2844     0     0
Fe4  .5018 .4982 .1562
C1      .5     0     0 .208
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008581
_database_code_amcsd 0016472
8.650 8.650 12.494 90 90 120 R-3m
atom     x     y     z occ
Th1      0     0 .3406
Fe1      0     0 .0965
Fe2     .5     0    .5
Fe3  .2843     0     0
Fe4  .5025 .4975 .1567
C1      .5     0     0 .28
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008582
_database_code_amcsd 0016473
8.699 8.699 12.533 90 90 120 R-3m
atom     x     y     z occ
Th1      0     0 .3409
Fe1      0     0 .0960
Fe2     .5     0    .5
Fe3  .2830     0     0
Fe4  .5027 .4973 .1557
C1      .5     0     0 .36
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008583
_database_code_amcsd 0016474
8.690 8.690 12.510 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3425
Fe1      0     0 .0953
Fe2     .5     0    .5
Fe3  .2825     0     0
Fe4  .5028 .4972 .1555
C1      .5     0     0 .412
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008584
_database_code_amcsd 0016475
8.606 8.606 12.492 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3424
Fe1      0     0 .0936
Fe2     .5     0    .5
Fe3  .2820     0     0
Fe4  .5033 .4967 .1576
C1      .5     0     0 .092
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008585
_database_code_amcsd 0016476
8.643 8.643 12.504 90 90 120 R-3m
atom     x    y     z  occ
Th1      0    0 .3452
Fe1      0    0 .0936
Fe2     .5    0    .5
Fe3  .2843    0     0
Fe4  .5039 .496 .1583
C1      .5    0     0 .208
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008586
_database_code_amcsd 0016477
8.666 8.666 12.508 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3412
Fe1      0     0 .0939
Fe2     .5     0    .5
Fe3  .2792     0     0
Fe4  .5041 .4959 .1546
C1      .5     0     0 .304
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008587
_database_code_amcsd 0016478
8.697 8.697 12.518 90 90 120 R-3m
atom     x     y     z occ
Th1      0     0 .3481
Fe1      0     0 .0943
Fe2     .5     0    .5
Fe3  .2817     0     0
Fe4  .5045 .4955 .1619
C1      .5     0     0 .36
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Fe17 Th2
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 186 (1992) 135-145
Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25)
_cod_database_code 1008588
_database_code_amcsd 0016479
8.741 8.741 12.558 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3457
Fe1      0     0 .0927
Fe2     .5     0    .5
Fe3  .2810     0     0
Fe4  .5045 .4955 .1594
C1      .5     0     0 .388
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D3.054 Mn2 Zr
 
Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P
 
Journal of Alloys and Compounds 186 (1992) 241-248
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides
_cod_database_code 1008563
_database_code_amcsd 0016454
5.4055 5.4055 8.7964 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .0629
Mn1      0     0     0
Mn2  .8366 .6732   .25
D1   .0398 .3249 .5647 .211
D2   .4594 .9188 .6261 .372
D3    .466  .932   .25 .369
D4   .2021 .4042   .25 .079
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D2.332 Mn2.15 Zr0.85
 
Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P
 
Journal of Alloys and Compounds 186 (1992) 241-248
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides
_cod_database_code 1008564
_database_code_amcsd 0016455
5.3889 5.3889 8.7660 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .0637  .85
Mn1    1/3   2/3 .0637  .15
Mn2      0     0     0
Mn3  .8369 .6738   .25
D1   .0506 .3477 .5662 .164
D2   .4524 .9048 .6352 .278
D3   .4540 .9080   .25 .298
D4     .22   .44   .25 .045
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D2.83 Mn2 Zr
 
Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P
 
Journal of Alloys and Compounds 186 (1992) 241-248
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides
_cod_database_code 1008565
_database_code_amcsd 0016456
5.3889 5.3889 8.7660 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .0642
Mn1      0     0     0
Mn2   .839  .678   .25
D1   .0433 .3255 .5169 .191
D2   .4633 .9266 .6263 .353
D3   .4676 .9352   .25 .356
D4     .22   .44   .25 .061
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D2.113 Mn2.227 Zr0.772
 
Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P
 
Journal of Alloys and Compounds 186 (1992) 241-248
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides
_cod_database_code 1008566
_database_code_amcsd 0016457
5.3493 5.3493 8.6995 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .0632 .772
Mn1    1/3   2/3 .0632 .227
Mn2      0     0     0
Mn3  .8302 .6604   .25
D1   .0397 .3219 .5706 .146
D2   .4478 .8956 .6254 .247
D3   .4800 .9600   .25 .286
D4    .262  .524   .25 .045
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Cr Cu2 O12 P3 Zr
 
Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G
 
Journal of Alloys and Compounds 188 (1992) 113-116
Structure of Cu^I^2CrZr(PO4)3 by powder neutron diffraction
_cod_database_code 1008589
_database_code_amcsd 0016480
8.7449 8.7449 21.819 90 90 120 R-3c
atom     x      y     z   occ
Cu1   .039   .156 .0046  .260
Cu2   .650   .074  .295 .0733
Zr1      0      0 .1413    .5
Cr1      0      0 .1413    .5
P1   .2884      0   .25
O1   .1830 -.0113 .1931
O2   .1959  .1697 .0849
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Ce2 Fe17 N3
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 190 (1992) 129-135
Nitrogen gas pressure synthesis and neutron diffraction study of
R2Fe17N3 with R=Ce and Nd
_cod_database_code 1008557
_database_code_amcsd 0016448
8.727 8.727 12.687 90 90 120 R-3m
atom     x     y     z
Ce1      0     0 .3408
Fe1      0     0 .0973
Fe2     .5     0    .5
Fe3  .2818     0     0
Fe4  .5043 .4957 .1537
N1      .5     0     0
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Ce2 Fe17 N3
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 190 (1992) 129-135
Nitrogen gas pressure synthesis and neutron diffraction study of
R2Fe17N3 with R=Ce and Nd
_cod_database_code 1008558
_database_code_amcsd 0016449
8.737 8.737 12.702 90 90 120 R-3m
atom     x     y     z
Ce1      0     0 .3425
Fe1      0     0 .0963
Fe2     .5     0    .5
Fe3  .2793     0     0
Fe4  .5049 .4951 .1537
N1      .5     0     0
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Fe17 N3 Nd2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 190 (1992) 129-135
Nitrogen gas pressure synthesis and neutron diffraction study of
R2Fe17N3 with R=Ce and Nd
_cod_database_code 1008559
_database_code_amcsd 0016450
8.750 8.750 12.626 90 90 120 R-3m
atom     x     y     z
Nd1      0     0 .3409
Fe1      0     0 .0941
Fe2     .5     0    .5
Fe3  .2821     0     0
Fe4  .5056 .4944 .1526
N1      .5     0     0
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Fe17 N3 Nd2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 190 (1992) 129-135
Nitrogen gas pressure synthesis and neutron diffraction study of
R2Fe17N3 with R=Ce and Nd
_cod_database_code 1008560
_database_code_amcsd 0016451
8.786 8.786 12.626 90 90 120 R-3m
atom     x     y     z
Nd1      0     0 .3437
Fe1      0     0 .0922
Fe2     .5     0    .5
Fe3  .2814     0     0
Fe4  .5057 .4943 .1531
N1      .5     0     0
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Fe10.12 Mo1.88 N0.8 Y
 
Tomey E, Isnard O, Fagan A, Desmoulins C, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 191 (1993) 233-238
Modulation of spin reorientation transitions in the series
R(Fe,M)12Xy (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)
_cod_database_code 1008548
_database_code_amcsd 0016439
8.6590 8.6590 4.7930 90 90 90 I4/mmm
atom    x   y   z occ
Y1      0   0   0
N1      0   0  .5  .8
Fe1   .25 .25 .25
Fe2  .362   0   0 .53
Mo1  .362   0   0 .47
Fe3  .277  .5   0
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Fe10.12 Mo1.88 N0.8 Y
 
Tomey E, Isnard O, Fagan A, Desmoulins C, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 191 (1993) 233-238
Modulation of spin reorientation transitions in the series
R(Fe,M)12Xy (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)
_cod_database_code 1008549
_database_code_amcsd 0016440
8.6648 8.6648 4.8012 90 90 90 I4/mmm
atom    x   y   z occ
Y1      0   0   0
N1      0   0  .5  .8
Fe1   .25 .25 .25
Fe2  .362   0   0 .53
Mo1  .362   0   0 .47
Fe3  .275  .5   0
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Fe10.52 Mo1.48 N0.8 Nd
 
Tomey E, Isnard O, Fagan A, Desmoulins C, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 191 (1993) 233-238
Modulation of spin reorientation transitions in the series
R(Fe,M)12Xy (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)
_cod_database_code 1008550
_database_code_amcsd 0016441
8.6398 8.6398 4.8437 90 90 90 I4/mmm
atom     x   y   z occ
Nd1      0   0   0
N1       0   0  .5  .8
Fe1    .25 .25 .25
Fe2  .3622   0   0 .63
Mo1  .3622   0   0 .37
Fe3  .2786  .5   0
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Fe10.48 Mo1.52 N0.8 Nd
 
Tomey E, Isnard O, Fagan A, Desmoulins C, Miraglia S, Soubeyroux J, Fruchart D
 
Journal of Alloys and Compounds 191 (1993) 233-238
Modulation of spin reorientation transitions in the series
R(Fe,M)12Xy (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)
_cod_database_code 1008551
_database_code_amcsd 0016442
8.646 8.646 4.8519 90 90 90 I4/mmm
atom     x   y   z occ
Nd1      0   0   0
N1       0   0  .5  .8
Fe1    .25 .25 .25
Fe2  .3628   0   0 .62
Mo1  .3628   0   0 .38
Fe3  .2766  .5   0
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H0.95 Ni Ti
 
Soubeyroux J, Fruchart D, Lorthioir G, Ochin P, Colin D
 
Journal of Alloys and Compounds 196 (1993) 127-132
Structural study of the hydrides NiTiHx (x=1.0 and 1.4)
_cod_database_code 1008598
_database_code_amcsd 0016489
6.2165 6.2165 12.326 90 90 90 I4/mmm
atom     x     y     z occ
Ni1  .2189 .2189 .1404
Ti1      0     0  .267
Ti2      0    .5   .25
Ti3      0    .5     0
Ti4      0     0    .5
Ti5      0     0     0
H1       0  .252 .6166 .76
H2    .795   .75     0 .19
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D1.4 Ni Ti
 
Soubeyroux J, Fruchart D, Lorthioir G, Ochin P, Colin D
 
Journal of Alloys and Compounds 196 (1993) 127-132
Structural study of the hydrides NiTiHx (x=1.0 and 1.4)
_cod_database_code 1008599
_database_code_amcsd 0016490
6.2364 6.2364 12.424 90 90 90 I4/mmm
atom     x     y     z occ
Ni1  .2191 .2191 .1402
Ti1      0     0  .269
Ti2      0    .5   .25
Ti3      0    .5     0
Ti4      0     0    .5
Ti5      0     0     0
D1       0  .268 .6241 .89
D2    .781   .75     0 .51
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D2.35 Fe17.17 Ti2.28 Y2
 
Revel R, Tomey E, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Alloys and Compounds 202 (1993) 57-61
Crystal structure and magnetic properties of the ternary compound
YFe8.6Ti1.1 and its hydride
_cod_database_code 1008642
_database_code_amcsd 0016531
8.276 8.276 4.820 90 90 90 P4/mbm
atom     x     y   z  occ
Y1       0     0   0
Fe1  .2120 .0664  .5 .956
Fe2  .3235 .8235 .25  .95
Ti1   .134  .634   0 .572
Fe3      0    .5  .5  .96
D1    .289 -.211   0 .108
D2       0     0  .5 .960
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Cr1.8 D2.46 Mn0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008680
_database_code_amcsd 0016566
5.381 5.381 8.798 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .4360
Cr1      0     0     0   .9
Mn1      0     0     0   .1
Cr2   .839  .678   .25   .9
Mn2   .839  .678   .25   .1
D1   .0332 .3118  .556 .195
D2    .458  .916  .636  .20
D3    .465   .93   .25  .46
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Cr1.8 D3.66 Fe0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008681
_database_code_amcsd 0016567
5.374 5.374 8.784 90 90 120 P6_3/mmc
atom     x     y     z occ
Zr1    1/3   2/3 .4370
Cr1      0     0     0  .9
Fe1      0     0     0  .1
Cr2   .839  .678   .25  .9
Fe2   .839  .678   .25  .1
D1   .0334 .3117 .5529 .27
D2   .4587 .9174 .6363 .39
D3   .4653 .9306   .25 .48
D4    .202  .404   .25 .10
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Co0.2 Cr1.8 D3.615 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008682
_database_code_amcsd 0016568
5.370 5.370 8.789 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .4340
Cr1      0     0     0   .9
Co1      0     0     0   .1
Cr2   .838  .676   .25   .9
Co2   .838  .676   .25   .1
D1   .0426 .3237 .5571 .285
D2   .4541 .9082 .6395  .33
D3    .461  .922   .25 .470
D4    .202  .404   .25  .14
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Cr1.8 D3.525 Ni0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008683
_database_code_amcsd 0016569
5.367 5.367 8.793 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .4362
Cr1      0     0     0   .9
Ni1      0     0     0   .1
Cr2   .834  .668   .25   .9
Ni2   .834  .668   .25   .1
D1   .0466 .3387 .5562 .275
D2   .4593 .9186 .6244  .31
D3   .4585  .917   .25 .430
D4    .202  .404   .25  .20
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Cr1.8 Cu0.2 D3.684 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008684
_database_code_amcsd 0016570
5.357 5.357 8.722 90 90 120 P6_3/mmc
atom     x     y     z  occ
Zr1    1/3   2/3 .4281
Cr1      0     0     0   .9
Cu1      0     0     0   .1
Cr2   .846  .692   .25   .9
Cu2   .846  .692   .25   .1
D1    .048 .3448  .567 .280
D2   .4538 .9076  .645  .31
D3   .4699 .9398   .25 .616
D4    .202  .404   .25  .10
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Cr2 D3.51 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008685
_database_code_amcsd 0016571
7.680 7.680 7.680 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ
Zr1   .125  .125  .125
Cr1     .5    .5    .5
D1   .3136 .3136 .1308 .2775
D2    .274  .274  .274  .045
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Cr1.8 D3.8 Mn0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008686
_database_code_amcsd 0016572
7.754 7.754 7.754 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ
Zr1   .125  .125  .125
Cr1     .5    .5    .5    .9
Mn1     .5    .5    .5    .1
D1   .3140 .3140 .1301 .2983
D2    .274  .274  .274  .055
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Cr1.8 D3.65 Fe0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008687
_database_code_amcsd 0016573
7.6551 7.6551 7.6551 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ
Zr1   .125  .125  .125
Cr1     .5    .5    .5    .9
Fe1     .5    .5    .5    .1
D1   .3146 .3146 .1304 .2892
D2    .274  .274  .274  .045
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Co0.2 Cr1.8 D3.56 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, Pontonnier L
 
Journal of Alloys and Compounds 219 (1995) 48-54
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
_cod_database_code 1008688
_database_code_amcsd 0016574
7.6605 7.6605 7.6605 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ
Zr1   .125  .125  .125
Cr1     .5    .5    .5    .9
Co1     .5    .5    .5    .1
D1   .3146 .3146 .1311 .2783
D2    .274  .274  .274  .055
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Cr1.6 Cu0.2 D3.78 Ni0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 231 (1995) 760-765
Phase stability and neutron diffraction studies of Laves phases
Zr (Cr1-x Mx)2 with M = (Cu0.5 Ni0.5) and 0
_cod_database_code 1008714
_database_code_amcsd 0016598
5.371 5.371 8.782 90 90 120 P6_3/mmc
atom    x    y    z  occ
Zr1   1/3  2/3 .439
Cr1     0    0    0   .8
Ni1     0    0    0   .1
Cu1     0    0    0   .1
Cr2  .836 .672  .25   .8
Ni2  .836 .672  .25   .1
Cu2  .836 .672  .25   .1
D1   .054 .335 .550 .285
D2   .454 .908 .639  .46
D3    .46  .92  .25  .22
D4   .198 .396  .25  .24
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Cr1.4 Cu0.3 D3.48 Ni0.3 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 231 (1995) 760-765
Phase stability and neutron diffraction studies of Laves phases
Zr (Cr1-x Mx)2 with M = (Cu0.5 Ni0.5) and 0
_cod_database_code 1008715
_database_code_amcsd 0016599
5.385 5.385 8.818 90 90 120 P6_3/mmc
atom    x    y    z occ
Zr1   1/3  2/3 .438
Cr1     0    0    0  .7
Ni1     0    0    0 .15
Cu1     0    0    0 .15
Cr2  .837 .674  .25  .7
Ni2  .837 .674  .25 .15
Cu2  .837 .674  .25 .15
D1   .054 .353 .577 .30
D2   .422 .844 .671 .31
D3    .46  .92  .25 .30
D4   .198 .396  .25 .20
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Cr1.2 Cu0.4 D3.51 Ni0.4 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 231 (1995) 760-765
Phase stability and neutron diffraction studies of Laves phases
Zr (Cr1-x Mx)2 with M = (Cu0.5 Ni0.5) and 0
_cod_database_code 1008716
_database_code_amcsd 0016600
5.343 5.343 8.744 90 90 120 P6_3/mmc
atom    x    y    z occ
Zr1   1/3  2/3 .438
Cr1     0    0    0  .6
Ni1     0    0    0  .2
Cu1     0    0    0  .2
Cr2  .833 .666  .25  .6
Ni2  .833 .666  .25  .2
Cu2  .833 .666  .25  .2
D1   .059 .345 .526 .29
D2   .443 .886 .652 .33
D3    .46  .92  .25 .30
D4   .198 .396  .25 .22
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Cr1.6 Cu0.2 D3.8 Ni0.2 Zr
 
Soubeyroux J, Bououdina M, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 231 (1995) 760-765
Phase stability and neutron diffraction studies of Laves phases
Zr (Cr1-x Mx)2 with M = (Cu0.5 Ni0.5) and 0
_cod_database_code 1008717
_database_code_amcsd 0016601
7.666 7.666 7.666 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Zr1  .125 .125 .125
Cr1    .5   .5   .5    .8
Ni1    .5   .5   .5    .1
Cu1    .5   .5   .5    .1
D1   .314 .314 .130 .2967
D2   .274 .274 .274  .060
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D0.41 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008737
_database_code_amcsd 0016618
3.4347 3.4347 12.9735 90 90 120 P6_3/mmc
atom   x   y     z
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6162
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D0.62 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008738
_database_code_amcsd 0016619
3.4329 3.4329 12.965 90 90 120 P6_3/mmc
atom   x   y     z occ
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6172
D1     0   0   .25 .62
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D0.49 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008739
_database_code_amcsd 0016620
3.4362 3.4362 12.9635 90 90 120 P6_3/mmc
atom   x   y     z
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6152
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D0.51 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008740
_database_code_amcsd 0016621
3.4369 3.4369 12.958 90 90 120 P6_3/mmc
atom   x   y     z occ
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6171
D1     0   0   .25 .51
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H0.07 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008741
_database_code_amcsd 0016622
3.4461 3.4461 12.5810 90 90 120 P6_3/mmc
atom   x   y     z
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6155
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H0.07 Nb Se2
 
Kulikov L, Semjonov-Kobzar A, Antonova M, Chechovsky A, Akselrud L,
Skolozdra R, Fruchart D, Soubeyroux J
 
Journal of Alloys and Compounds 244 (1996) 11-15
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
_cod_database_code 1008742
_database_code_amcsd 0016623
3.4471 3.4471 12.586 90 90 120 P6_3/mmc
atom   x   y     z occ
Nb1  1/3 2/3   .25
Se1  1/3 2/3 .6164
H1     0   0   .25 .07
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D0.7 Fe11.28 Ho Ti0.72
 
Apostolov A, Bezdushnyi R, Stanev N, Damianova R, Fruchart D, Isnard O, Soubeyroux J
 
Journal of Alloys and Compounds 253 (1997) 318-321
Neutron diffraction study of Ho Fe11 Ti Dx deuterides
_cod_database_code 1008798
_database_code_amcsd 0016670
8.5 8.5 4.777 90 90 90 I4/mmm
atom     x   y   z occ
Ho1      0   0   0
D1       0   0  .5  .7
Fe1  .3506   0   0 .82
Ti1  .3506   0   0 .18
Fe2  .2759  .5   0
Fe3    .25 .25 .25
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Cr1.794 D3.38 Ni0.206 Zr
 
Bououdina M, Soubeyroux J, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 257 (1997) 82-90
Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and
their hydrides
_cod_database_code 1008799
_database_code_amcsd 0016671
5.368 5.368 8.797 90 90 120 P6_3/mmc
atom    x    y     z  occ
Zr1   1/3  2/3 .4364
Cr1     0    0     0 .822
Ni1     0    0     0 .178
Cr2  .835 .670   .25 .922
Ni2  .835 .670   .25 .078
D1   .045  1/3  .557 .265
D2   .461 .922  .626 .284
D3   .459 .918   .25 .462
D4   .198 .396   .25 .162
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Cr1.454 D3.384 Ni0.546 Zr
 
Bououdina M, Soubeyroux J, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 257 (1997) 82-90
Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and
their hydrides
_cod_database_code 1008800
_database_code_amcsd 0016672
5.343 5.343 8.747 90 90 120 P6_3/mmc
atom    x    y     z  occ
Zr1   1/3  2/3 .4357
Cr1     0    0     0  .72
Ni1     0    0     0  .28
Cr2  .847 .694   .25  .73
Ni2  .847 .694   .25  .27
D1   .045  1/3  .557 .253
D2   .461 .922  .626 .318
D3   .459 .918   .25 .564
D4   .198 .396   .25 .044
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Cr1.244 D3.3 Ni0.756 Zr
 
Bououdina M, Soubeyroux J, Fruchart D, de Rango P
 
Journal of Alloys and Compounds 257 (1997) 82-90
Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and
their hydrides
_cod_database_code 1008801
_database_code_amcsd 0016673
5.343 5.343 8.750 90 90 120 P6_3/mmc
atom    x    y     z  occ
Zr1   1/3  2/3 .4323
Cr1     0    0     0  .58
Ni1     0    0     0  .42
Cr2  .844 .688   .25 .636
Ni2  .844 .688   .25 .364
D1   .045  1/3  .557 .245
D2   .461 .922  .626 .307
D3   .459 .918   .25 .606
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Ce2 D4.7 Fe17
 
Artigas M, Fruchart D, Isnard O, Miraglia S, Soubeyroux J
 
Journal of Alloys and Compounds 270 (1998) 28-34
Structural, magnetic and hydrogenation properties of R2 Fe17-x Six
alloys (R = rare earth element). I. Crystal structure behaviour of the
Ce2 Fe17-x Six Hy system (0
_cod_database_code 1008890
_database_code_amcsd 0016757
8.66 8.66 12.56 90 90 120 R-3m
atom     x     y     z  occ
Ce1      0     0  .328
Fe1      0     0  .095
Fe2  .2840     0     0
Fe3     .5     0    .5
Fe4  .5043 .4957 .1547
D1      .5     0     0 .900
D2    .208     0    .5 .333
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Ce2 D3.7 Fe16 Si
 
Artigas M, Fruchart D, Isnard O, Miraglia S, Soubeyroux J
 
Journal of Alloys and Compounds 270 (1998) 28-34
Structural, magnetic and hydrogenation properties of R2 Fe17-x Six
alloys (R = rare earth element). I. Crystal structure behaviour of the
Ce2 Fe17-x Six Hy system (0
_cod_database_code 1008891
_database_code_amcsd 0016758
8.605 8.605 12.563 90 90 120 R-3m
atom     x     y     z  occ
Ce1      0     0  .337
Fe1      0     0 .0962
Fe2  .2866     0     0
Fe3     .5     0    .5
Fe4  .5029 .4971 .1568 .833
Si1  .5029 .4971 .1568 .167
D1      .5     0     0 .740
D2    .897     0    .5 .247
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Ce2 D2.78 Fe15 Si2
 
Artigas M, Fruchart D, Isnard O, Miraglia S, Soubeyroux J
 
Journal of Alloys and Compounds 270 (1998) 28-34
Structural, magnetic and hydrogenation properties of R2 Fe17-x Six
alloys (R = rare earth element). I. Crystal structure behaviour of the
Ce2 Fe17-x Six Hy system (0
_cod_database_code 1008892
_database_code_amcsd 0016759
8.54 8.54 12.522 90 90 120 R-3m
atom     x     y     z  occ
Ce1      0     0  .336
Fe1      0     0 .0956
Fe2  .2987     0     0
Fe3     .5     0    .5
Fe4  .5043 .4957 .1586 .667
Si1  .5043 .4957 .1586 .333
D1      .5     0     0 .560
D2    .906     0    .5 .183
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Ce2 D0.79 Fe14 Si3
 
Artigas M, Fruchart D, Isnard O, Miraglia S, Soubeyroux J
 
Journal of Alloys and Compounds 270 (1998) 28-34
Structural, magnetic and hydrogenation properties of R2 Fe17-x Six
alloys (R = rare earth element). I. Crystal structure behaviour of the
Ce2 Fe17-x Six Hy system (0
_cod_database_code 1008893
_database_code_amcsd 0016760
8.485 8.485 12.463 90 90 120 R-3m
atom     x     y     z  occ
Ce1      0     0  .343
Fe1      0     0 .0956
Fe2  .2908     0     0
Fe3     .5     0    .5
Fe4  .5016 .4984 .1552   .5
Si1  .5016 .4984 .1552   .5
D1      .5     0     0 .263
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Co9 Si2 Sm
 
Garcia-Landa B, Fruchart D, Gignoux D, Skolozdra R, Soubeyroux J
 
Journal of Alloys and Compounds 278 (1998) 6-16
Synthesis, structural and magnetic properties of the interstitial
compounds R Co9 Si2 Cx with R = Sm, Nd, Y and 0
_cod_database_code 1008896
_database_code_amcsd 0016763
9.752 9.752 6.304 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z
Sm1      0   .25  .875
Co1      0   .25  .375
Co2  .1229 .4559 .1835
Si1      0     0    .5
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Co9 Si2 Sm
 
Garcia-Landa B, Fruchart D, Gignoux D, Skolozdra R, Soubeyroux J
 
Journal of Alloys and Compounds 278 (1998) 6-16
Synthesis, structural and magnetic properties of the interstitial
compounds R Co9 Si2 Cx with R = Sm, Nd, Y and 0
_cod_database_code 1008897
_database_code_amcsd 0016764
9.954 9.954 6.480 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z   occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sm1      0   .25  .875           .9     .9     .6      0      0      0
Co1      0   .25  .375
Co2  .1258 .4534 .1943           .5     .6     .5    -.3    -.3     .0
Si1      0     0    .5
C1       0     0     0 .7875
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Fe2 Na3 O12 P3
 
Fanjat N, Soubeyroux J
 
Journal of Magnetism and Magnetic Materials 104 (1992) 933-934
Powder neutron diffraction study of Fe2Na3(P O4)3 in the low
temperature phase
_cod_database_code 1008509
_database_code_amcsd 0016402
15.07 8.740 8.724 90 125.1 90 C2/c
atom    x    y    z
Fe1  .109 .235 .059
O1   .145  .43 .224
O2   .416 .461 .059
O3   .258 .171 .243
O4   .328 .144 .070
O5   .472 .151 .436
O6   .074 .140 .243
P1   .358 .107 .270
P2      0 .033  .25
Na1   .25  .25   .5
Na2  .331 .368 .282
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Co9 Si2 Sm
 
Skolozdra R, Akselrud L, Fruchart D, Gignoux D, Gorolenko Y, Soubeyroux J, Tomey E
 
Journal of Magnetism and Magnetic Materials 140 (1995) 915-916
Magnetic and structural properties of new Sm Co9 Si2 Cx compounds
(x=0.,0.6,0.9)
_cod_database_code 1008689
_database_code_amcsd 0016575
9.838 9.838 6.377 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z occ
Sm1      0   .25  .875
Co1      0   .25  .375
Co2  .1258 .4534 .1943
Si1      0     0    .5
C1       0     0     0  .3
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Co F6 Zr
 
Rodriguez V, Couzi M, Tressaud A, Grannec J, Chaminade J, Soubeyroux J
 
Journal of Physics: Condensed Matter 2 (1990) 7373-7386
Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II)
= Co, Zn) : I.Structural study
_cod_database_code 1008794
_database_code_amcsd 0016666
5.466 5.466 13.982 90 90 120 R-3
atom    x   y    z
Co1     0   0    0
Zr1     0   0   .5
F1   .084 1/3 .084
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Co F6 Zr
 
Rodriguez V, Couzi M, Tressaud A, Grannec J, Chaminade J, Soubeyroux J
 
Journal of Physics: Condensed Matter 2 (1990) 7373-7386
Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II)
= Co, Zn) : I.Structural study
_cod_database_code 1008795
_database_code_amcsd 0016667
7.989 7.989 7.989 90 90 90 Fm3m
atom    x  y  z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Co1     0  0  0
Zr1    .5 .5 .5
F1   .252  0  0    1.1    3.5    3.5      0      0      0
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008499
_database_code_amcsd 0016392
10.203 10.203 6.611 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1276 .0456 .1905
C1       0     0     0 .692
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008500
_database_code_amcsd 0016393
10.249 10.249 6.649 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1283 .0463 .1935
C1       0     0     0 .892
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008501
_database_code_amcsd 0016394
10.191 10.191 6.609 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1263 .0460 .1911
C1       0     0     0 .644
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008502
_database_code_amcsd 0016395
10.190 10.190 6.592 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1274 .0460 .1924
C1       0     0     0 .628
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008503
_database_code_amcsd 0016396
10.262 10.262 6.656 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1284 .0464 .1935
C1       0     0     0 .884
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Fe11 Th
 
Isnard O, Soubeyroux J, Fruchart D, Jacobs T, Buschow K
 
Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Magnetic characterization and structural study of new ternary carbides:
ThFe11Cx(1.5<= x<= 2)
_cod_database_code 1008504
_database_code_amcsd 0016397
10.174 10.174 6.581 90 90 90 *I4_1/amd
0 -.25 .125
atom     x     y     z  occ
Th1      0   .75  .125
Fe1      0   .25  .375
Fe2      0     0    .5
Fe3  .1269 .0411 .1946
C1       0     0     0 .668
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Fe17 N2.964 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008600
_database_code_amcsd 0016491
8.802 8.802 12.737 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3426
Fe1      0     0 .0948
Fe2     .5     0    .5
Fe3  .2801     0     0
Fe4  .5047 .4953 .1538
N1      .5     0     0 .988
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Fe17 N2.964 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008601
_database_code_amcsd 0016492
8.7653 8.7653 12.691 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3409
Fe1      0     0 .0956
Fe2     .5     0    .5
Fe3  .2805     0     0
Fe4  .5052 .4948 .1534
N1      .5     0     0 .988
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D4.956 Fe17 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008602
_database_code_amcsd 0016493
8.7116 8.7116 12.624 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3346
Fe1      0     0 .0995
Fe2     .5     0    .5
Fe3   .284     0     0
Fe4  .5047 .4953 .1572
D1      .5     0     0 .980
D2   .8676     0    .5 .336
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D4.668 Fe17 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008603
_database_code_amcsd 0016494
8.682 8.682 12.56 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3351
Fe1      0     0 .0937
Fe2     .5     0    .5
Fe3  .2833     0     0
Fe4  .5031 .4969 .1572
D1      .5     0     0 .960
D2   .8672     0    .5 .298
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Fe17 H4.272 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008604
_database_code_amcsd 0016495
8.7457 8.7457 12.65 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3379
Fe1      0     0 .0979
Fe2     .5     0    .5
Fe3  .2836     0     0
Fe4  .5052 .4948 .1583
C1      .5     0     0 .208
H1      .5     0     0   .8
H2    .888     0    .5 .312
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Fe17 H4.284 Th2
 
Isnard O, Miraglia S, Soubeyroux J, Fruchart D, Deportes J, Buschow K
 
Journal of Physics: Condensed Matter 5 (1993) 5481-5490
Structural study and magnetic characterization of Th2Fe17D5,
Th2Fe17CxH5-x and Th2Fe17N3
_cod_database_code 1008605
_database_code_amcsd 0016496
8.751 8.751 12.643 90 90 120 R-3m
atom     x     y     z  occ
Th1      0     0 .3399
Fe1      0     0 .0943
Fe2     .5     0    .5
Fe3  .2815     0     0
Fe4  .5032 .4968 .1517
C1      .5     0     0 .196
H1      .5     0     0 .804
H2   .8760     0    .5 .312
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