American Mineralogist Crystal Structure Database

170 matching records for this search.

Ba2 Cu2 La2 O11 Ti2
 
Gomez-Romero P, Palacin M, Rodriguez-Carvajal J
 
Chemistry of Materials 6 (1994) 2118-2122
Crystal structure refinement of the layered copper-titanium perovskites
Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data
_cod_database_code 1006074
_database_code_amcsd 0012202
3.9367 3.9367 15.805 90 90 90 P4/mmm
atom  x  y     z   occ
La1  .5 .5     0   .64
Ba1  .5 .5    .5   .36
Ba2  .5 .5 .2329   .64
La2  .5 .5 .7329   .36
La3  .5 .5    .5   .64
Ba3  .5 .5     0   .36
Cu1   0  0  .113   .64
Cu2   0  0  .613   .36
Ti1   0  0  .387   .64
Ti2   0  0  .887   .36
O1    0  0    .5   .64
O2    0  0     0   .36
O3   .5  0 .3716 .6375
O4   .5  0 .8716 .3625
O5    0  0 .2688   .64
O6    0  0 .7688   .36
O7   .5  0 .1039 .6375
O8   .5  0 .6039 .3625
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Ba2 Cu2 Nd2 O11 Ti2
 
Gomez-Romero P, Palacin M, Rodriguez-Carvajal J
 
Chemistry of Materials 6 (1994) 2118-2122
Crystal structure refinement of the layered copper-titanium perovskites
Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data
_cod_database_code 1006075
_database_code_amcsd 0012203
3.91275 3.91275 15.7614 90 90 90 P4/mmm
atom  x  y     z
Nd1  .5 .5     0
Ba1  .5 .5 .2357
Nd2  .5 .5    .5
Cu1   0  0 .1084
Ti1   0  0 .3701
O1    0  0    .5
O2   .5  0 .3841
O3    0  0 .2554
O4   .5  0 .0974
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Nd2 Ni O4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R
 
Europhysics Letters 11 (1990) 261-268
Structural phase transitions and three-dimensional magnetic ordering in
the Nd2NiO4 oxide
_cod_database_code 1006025
_database_code_amcsd 0012639
5.3876 5.5883 12.135 90 90 90 Bmab
atom   x     y      z
Ni1    0     0      0
Nd1    0 -.015  .3632
O1   .25   .25 -.0179
O2     0  .063  .1794
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Nd2 Ni O4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R
 
Europhysics Letters 11 (1990) 261-268
Structural phase transitions and three-dimensional magnetic ordering in
the Nd2NiO4 oxide
_cod_database_code 1006026
_database_code_amcsd 0012640
5.37325 5.5913 12.0976 90 90 90 Bmab
atom   x      y      z
Ni1    0      0      0
Nd1    0 -.0173  .3630
O1   .25    .25 -.0177
O2     0  .0652  .1806
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Nd2 Ni O4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R
 
Europhysics Letters 11 (1990) 261-268
Structural phase transitions and three-dimensional magnetic ordering in
the Nd2NiO4 oxide
_cod_database_code 1006027
_database_code_amcsd 0012641
5.480 5.480 12.057 90 90 90 *P4_2/ncm
.25 -.25 .25
atom      x      y      z
Ni1       0      0      0
Nd1  -.0121 -.0121  .3641
O1      .25    .25 -.0298
O2    .0508  .0508  .1785
O3      .75    .25      0
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Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006169
_database_code_amcsd 0012646
5.479 7.686 5.453 90 90 90.3 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .035 .242 -.014 .75
Sr1  .035 .242 -.014 .25
O1   .483 .262  .055
O2   .289 .044  .742
O3   .686 .539  .296
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Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006170
_database_code_amcsd 0012647
5.5062 7.672 5.435 90 90 90.49 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .042 .237 -.024 .75
Sr1  .042 .237 -.024 .25
O1   .491 .242  .057
O2   .297 .034   .71
O3   .713 .541  .307
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Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006171
_database_code_amcsd 0012648
5.498 7.672 5.435 90 90 90.47 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .043 .237 -.022 .75
Sr1  .043 .237 -.022 .25
O1   .492 .247  .049
O2   .302 .035  .703
O3   .718 .545  .306
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Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006172
_database_code_amcsd 0012649
5.494 7.675 5.436 90 90 90.5 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .044 .238 -.018 .75
Sr1  .044 .238 -.018 .25
O1   .492 .248  .043
O2   .313 .034  .694
O3   .725 .548  .306
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Co D6.12 La Ni4
 
Latroche M, Rodriguez-Carvajal J, Percheron-Guegan A, Bouree-Vigneron F
 
Journal of Alloys and Compounds 218 (1995) 64-72
Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57
by means of neutron powder diffraction
_cod_database_code 1006077
_database_code_amcsd 0012765
5.390 5.390 8.503 90 90 120 P6_3mc
atom     x     y      z   occ
La1      0     0  .0094
Ni1    1/3   2/3 -.0055  .875
Co1    1/3   2/3 -.0055  .125
Ni2    1/3   2/3  .4965  .875
Co2    1/3   2/3  .4965  .125
Ni3  .4990 .5010    .25   .75
Co3  .4990 .5010    .25   .25
D1     1/3   2/3  .8076   .32
D2     1/3   2/3  .3076   .31
D3   .1465  .293    .25   .46
D4   .1465  .293    .75 .1633
D5   .1779 .3558  .3165   .16
D6   .1779 .3558  .8165   .17
D7   .4683     0  .0540 .4383
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Al0.3 Co0.749 D5.56 La Mn0.4 Ni3.548
 
Latroche M, Rodriguez-Carvajal J, Percheron-Guegan A, Bouree-Vigneron F
 
Journal of Alloys and Compounds 218 (1995) 64-72
Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57
by means of neutron powder diffraction
_cod_database_code 1006078
_database_code_amcsd 0012766
5.383 5.383 4.277 90 90 120 P6/mmm
atom     x     y     z   occ
La1      0     0     0
Ni1    1/3   2/3     0  .868
Mn1    1/3   2/3     0 .0365
Co1    1/3   2/3     0  .094
Ni2     .5     0    .5  .604
Mn2     .5     0    .5  .109
Al1     .5     0    .5  .100
Co2     .5     0    .5  .187
D1     1/3   2/3 .3759 .0567
D2   .1362 .2724    .5 .3263
D3   .2234 .4468 .3169 .0593
D4   .4642     0 .1004 .2216
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Ge6 Mn6 Tm
 
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 113-120
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
_cod_database_code 1006092
_database_code_amcsd 0012768
5.2067 5.2067 8.1431 90 90 120 P6/mmm
atom   x   y    z
Tm1    0   0    0
Mn1   .5   0 .249
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .346
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Ge6 Mn6 Tm
 
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 113-120
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
_cod_database_code 1006093
_database_code_amcsd 0012769
5.2110 5.2110 8.1397 90 90 120 P6/mmm
atom   x   y     z
Tm1    0   0     0
Mn1   .5   0  .249
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3487
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006094
_database_code_amcsd 0012770
5.1993 5.1993 8.1165 90 90 120 P6/mmm
atom   x   y     z
Lu1    0   0     0
Mn1   .5   0 .2486
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3404
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006095
_database_code_amcsd 0012771
5.2002 5.2002 8.1169 90 90 120 P6/mmm
atom   x   y     z
Lu1    0   0     0
Mn1   .5   0 .2489
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3423
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006096
_database_code_amcsd 0012772
5.2076 5.2076 8.1285 90 90 120 P6/mmm
atom   x   y    z
Lu1    0   0    0
Mn1   .5   0 .248
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .344
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Cr6 Ge5.992 Tb
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 255 (1997) 67-73
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A
neutron study
_cod_database_code 1006118
_database_code_amcsd 0012783
5.1709 5.1709 8.2817 90 90 120 P6/mmm
atom   x   y     z  occ
Tb1    0   0     0 .816
Tb2    0   0    .5 .184
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3479 .888
Ge4    0   0 .8479 .108
Cr1   .5   0 .2489
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Cr6 Ge5.992 Tb0.951
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 255 (1997) 67-73
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A
neutron study
_cod_database_code 1006119
_database_code_amcsd 0012784
5.1607 5.1607 8.2822 90 90 120 P6/mmm
atom   x   y     z  occ
Tb1    0   0     0 .816
Tb2    0   0    .5 .135
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3458 .888
Ge4    0   0 .8458 .108
Cr1   .5   0 .2533
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Cr6 Ge5.992 Tb0.951
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 255 (1997) 67-73
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A
neutron study
_cod_database_code 1006120
_database_code_amcsd 0012785
5.1618 5.1618 8.2854 90 90 120 P6/mmm
atom   x   y     z  occ
Tb1    0   0     0 .816
Tb2    0   0    .5 .135
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3479 .888
Ge4    0   0 .8479 .108
Cr1   .5   0 .2534
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Cr6 Dy Ge6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 256 (1997) 92-96
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds
(R = Dy,Ho,Er,Y): a neutron study
_cod_database_code 1006121
_database_code_amcsd 0012788
5.1586 5.1586 8.2771 90 90 120 P6/mmm
atom   x   y     z  occ
Dy1    0   0     0 .916
Dy2    0   0    .5 .084
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3596 .924
Ge4    0   0 .8596 .076
Cr1   .5   0 .2518
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Cr6 Dy Ge6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 256 (1997) 92-96
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds
(R = Dy,Ho,Er,Y): a neutron study
_cod_database_code 1006122
_database_code_amcsd 0012789
5.1588 5.1588 8.2773 90 90 120 P6/mmm
atom   x   y     z  occ
Dy1    0   0     0 .916
Dy2    0   0    .5 .084
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3596 .924
Ge4    0   0 .8596 .076
Cr1   .5   0 .2517
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Cr6 Er Ge6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 256 (1997) 92-96
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds
(R = Dy,Ho,Er,Y): a neutron study
_cod_database_code 1006123
_database_code_amcsd 0012790
5.1495 5.1495 8.2639 90 90 120 P6/mmm
atom   x   y     z  occ
Er1    0   0     0 .958
Er2    0   0    .5 .042
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3469 .960
Ge4    0   0 .8469 .040
Cr1   .5   0 .2491
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Cr6 Er Ge6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 256 (1997) 92-96
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds
(R = Dy,Ho,Er,Y): a neutron study
_cod_database_code 1006124
_database_code_amcsd 0012791
5.1474 5.1474 8.2617 90 90 120 P6/mmm
atom   x   y     z  occ
Er1    0   0     0 .958
Er2    0   0    .5 .042
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3470 .960
Ge4    0   0 .8470 .040
Cr1   .5   0 .2492
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Cr6 Ge6 Ho
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 256 (1997) 92-96
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds
(R = Dy,Ho,Er,Y): a neutron study
_cod_database_code 1006125
_database_code_amcsd 0012792
5.149 5.149 8.262 90 90 120 P6/mmm
atom   x   y    z
Ho1    0   0    0
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .346
Cr1   .5   0 .259
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Er Fe6 Ge6
 
Oleksyn O, Schobinger-Papamantellos P, Rodriguez-Carvajal J, Brueck E, Buschow K
 
Journal of Alloys and Compounds 257 (1997) 36-45
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray,
neutron diffraction and magnetic measurements
_cod_database_code 1006126
_database_code_amcsd 0012793
8.0991 26.5293 5.10721 90 90 90 Immm
atom     x     y    z  occ
Er1      0     0    0 .640
Er2      0 .1677   .5 .600
Er3     .5     0    0 .360
Er4     .5 .1677   .5 .400
Ge1  .3592     0    0 .776
Ge2  .3592 .1677   .5 .732
Ge3   .815     0    0 .184
Ge4   .815 .1677   .5 .268
Ge5      0 .0570   .5
Ge6     .5 .0570   .5
Ge7      0  .114    0
Ge8     .5  .114    0
Ge9      0  .228    0
Ge10    .5  .228    0
Fe1  .2557     0   .5
Fe2    .25   .25  .25
Fe3  .2557 .3320   .5
Fe4  .2557 .0830 .251
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Er Fe6 Ge6
 
Oleksyn O, Schobinger-Papamantellos P, Rodriguez-Carvajal J, Brueck E, Buschow K
 
Journal of Alloys and Compounds 257 (1997) 36-45
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray,
neutron diffraction and magnetic measurements
_cod_database_code 1006127
_database_code_amcsd 0012794
8.1008 26.53181 5.10768 90 90 90 Immm
atom     x     y    z  occ
Er1      0     0    0
Er2      0 .1670   .5 .800
Er3     .5 .1679   .5 .200
Ge1   .331     0    0 .564
Ge2   .350  .166   .5 .700
Ge3   .858     0    0 .436
Ge4   .845 .1670   .5 .300
Ge5      0 .0545   .5
Ge6     .5 .0555   .5
Ge7      0 .1136    0
Ge8     .5 .1112    0
Ge9      0 .2194    0
Ge10    .5 .2229    0
Fe1  .2524     0   .5
Fe2    .25   .25  .25
Fe3    .25 .3334   .5
Fe4  .2516 .0820 .243
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La0.875 Mn O3 Sr0.125
 
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A
 
Journal of Alloys and Compounds 262 (1997) 152-156
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping
_cod_database_code 1006128
_database_code_amcsd 0012798
5.5351 5.5187 7.7903 90 90 90 Pbnm
atom     x     y     z  occ
La1  .0005 .0217   .25 .875
Sr1  .0005 .0217   .25 .125
O1   .0659 .4900   .25
O2   .7251 .2779 .0360
Mn1     .5     0     0
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La0.875 Mn O3 Sr0.125
 
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A
 
Journal of Alloys and Compounds 262 (1997) 152-156
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping
_cod_database_code 1006129
_database_code_amcsd 0012799
5.5489 5.5598 7.7375 90 90 90 Pbnm
atom      x     y     z  occ
La1  -.0023 .0249   .25 .875
Sr1  -.0023 .0249   .25 .125
O1    .0678 .4910   .25
O2    .7358 .2865 .0358
Mn1      .5     0     0
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La0.875 Mn O3 Sr0.125
 
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A
 
Journal of Alloys and Compounds 262 (1997) 152-156
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping
_cod_database_code 1006130
_database_code_amcsd 0012800
5.5448 5.5258 7.7927 90 90 90 Pbnm
atom      x     y     z  occ
La1  -.0031 .0191   .25 .875
Sr1  -.0031 .0191   .25 .125
O1    .0664 .4923   .25
O2    .7308 .2785 .0353
Mn1      .5     0     0
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Cr Dy Ge6 Mn5
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006144
_database_code_amcsd 0012801
5.2187 5.2187 8.1865 90 90 120 P6/mmm
atom   x   y     z   occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3469
Mn1   .5   0 .2520 .8333
Cr1   .5   0 .2520 .1667
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Cr1.5 Dy Ge6 Mn4.5
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006145
_database_code_amcsd 0012802
5.2155 5.2155 8.2018 90 90 120 P6/mmm
atom   x   y     z occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3472
Mn1   .5   0  .255 .75
Cr1   .5   0  .255 .25
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Cr2 Dy Ge6 Mn4
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006146
_database_code_amcsd 0012803
5.2101 5.2101 8.2102 90 90 120 P6/mmm
atom   x   y     z  occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3479
Mn1   .5   0  .253 .667
Cr1   .5   0  .253 .333
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Cr4 Dy Ge6 Mn2
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006147
_database_code_amcsd 0012804
5.185 5.185 8.252 90 90 120 P6/mmm
atom   x   y    z  occ
Dy1    0   0    0
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .348
Mn1   .5   0 .251 .333
Cr1   .5   0 .251 .667
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Cr5 Dy Ge5.9 Mn
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006148
_database_code_amcsd 0012805
5.169 5.169 8.263 90 90 120 P6/mmm
atom   x   y    z   occ
Dy1    0   0    0
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .329   .95
Mn1   .5   0 .253 .1667
Cr1   .5   0 .253 .8333
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Dy Ge6 Mn6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006149
_database_code_amcsd 0012806
5.2256 5.2256 8.1646 90 90 120 P6/mmm
atom   x   y     z
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3454
Mn1   .5   0 .2501
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Co3 Ge2.884 Tb0.624
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006157
_database_code_amcsd 0012810
5.0971 5.0971 3.9309 90 90 120 P6/mmm
atom   x   y     z  occ
Tb1    0   0     0  .36
Ge1    0   0     0  .14
Tb2    0   0 .3165 .132
Ge2    0   0 .3165 .372
Co1   .5   0    .5
Ge3  1/3 2/3     0
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Co2 Ge2 Tb
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006158
_database_code_amcsd 0012811
3.9819 3.9819 10.086 90 90 90 I4/mmm
atom x  y     z
Tb1  0  0     0
Ge1  0  0 .3728
Co1  0 .5   .25
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Co3 Ge2.884 Tb0.624
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006159
_database_code_amcsd 0012812
5.0976 5.0976 3.9286 90 90 120 P6/mmm
atom   x   y     z  occ
Tb1    0   0     0  .36
Ge1    0   0     0  .14
Tb2    0   0 .3155 .132
Ge2    0   0 .3155 .372
Co1   .5   0    .5
Ge3  1/3 2/3     0
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Co2 Ge2 Tb
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006160
_database_code_amcsd 0012813
3.979 3.979 10.099 90 90 90 I4/mmm
atom x  y     z
Tb1  0  0     0
Ge1  0  0 .3725
Co1  0 .5   .25
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Co2 Ge2 Tb
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006161
_database_code_amcsd 0012814
3.979 3.979 10.103 90 90 90 I4/mmm
atom x  y     z
Tb1  0  0     0
Ge1  0  0 .3725
Co1  0 .5   .25
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Co2 Ge2 Tb
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K
 
Journal of Alloys and Compounds 274 (1998) 83-89
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study
_cod_database_code 1006162
_database_code_amcsd 0012815
3.979 3.979 10.105 90 90 90 I4/mmm
atom x  y     z
Tb1  0  0     0
Ge1  0  0 .3725
Co1  0 .5   .25
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Ba Co O5 Yb2
 
Hernandez-Velasco J, Saez-Puche R, Rodriguez-Carvajal J
 
Journal of Alloys and Compounds 275 (1998) 651-656
Yb2 Ba Co O5 magnetic and crystal structure determination from neutron
scattering
_cod_database_code 1006163
_database_code_amcsd 0012817
12.1745 5.6594 6.9993 90 90 90 Pnma
atom     x      y     z
Yb1  .2912    .25 .1203
Yb2  .0740    .25 .3994
Co1  .6545    .25 .6934
Ba1  .9016    .25 .9256
O1   .4347 -.0037 .1669
O2   .2255  .4976 .3620
O3   .1042    .25 .0783
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Fe6 Ge6 Tb
 
Schobinger-Papamantellos P, Oleksyn O, Rodriguez-Carvajal J, Andre G, Brueck E, Buschow K
 
Journal of Magnetism and Magnetic Materials 182 (1998) 96-110
Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6
studied by X-ray, neutron diffraction and magnetic measurement (I).
_cod_database_code 1006165
_database_code_amcsd 0013066
8.1293 17.73192 5.11877 90 90 90 Cmcm
atom     x     y   z occ
Tb1      0  .122 .25 .89
Tb2     .5  .128 .25 .11
Ge1      0  .039 .75
Ge2     .5  .044 .75
Ge3      0  .208 .75
Ge4     .5 .2027 .75
Ge5  .3475 .1257 .25 .89
Ge6  .8475 .1243 .25 .11
Fe1    .25   .25   0
Fe2  .2509     0   0
Fe3  .2509 .1233 .75
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Fe6 Ge6 Tb
 
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K
 
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308
Influence of thermal history on crystal structure, microstructure and
magnetic properties of Tb Fe6 Ge6 (II)
_cod_database_code 1006166
_database_code_amcsd 0013067
8.13071 17.69899 5.12618 90 90 90 Cmcm
atom     x     y   z
Tb1      0 .1257 .25
Ge1      0 .0430 .75
Ge2     .5 .0431 .75
Ge3      0 .2134 .75
Ge4     .5 .2064 .75
Ge5  .3477 .1248 .25
Fe1    .25   .25   0
Fe2  .2502     0   0
Fe3  .2502 .1254 .75
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Fe6 Ge6 Tb
 
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K
 
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308
Influence of thermal history on crystal structure, microstructure and
magnetic properties of Tb Fe6 Ge6 (II)
_cod_database_code 1006167
_database_code_amcsd 0013068
8.1293 17.73192 5.11877 90 90 90 Cmcm
atom     x     y   z occ
Tb1      0  .122 .25 .89
Tb2     .5  .128 .25 .11
Ge1      0  .039 .75
Ge2     .5  .044 .75
Ge3      0  .208 .75
Ge4     .5 .2027 .75
Ge5  .3475 .1257 .25 .89
Ge6  .8475 .1243 .25 .11
Fe1    .25   .25   0
Fe2  .2509     0   0
Fe3  .2509 .1233 .75
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Fe6 Ge6 Tb
 
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K
 
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308
Influence of thermal history on crystal structure, microstructure and
magnetic properties of Tb Fe6 Ge6 (II)
_cod_database_code 1006168
_database_code_amcsd 0013069
8.1292 17.73227 5.11886 90 90 90 Cmcm
atom     x     y   z occ
Tb1      0  .122 .25 .83
Tb2     .5  .128 .25 .17
Ge1      0 .0376 .75
Ge2     .5 .0433 .75
Ge3      0  .213 .75
Ge4     .5 .2045 .75
Ge5  .3477 .1252 .25 .83
Ge6  .8477 .1248 .25 .17
Fe1    .25   .25   0
Fe2  .2508     0   0
Fe3  .2508 .1240 .75
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Cu La2 O6 Ti
 
Palacin M, Bassas J, Rodriguez-Carvajal J, Gomez-Romero P
 
Journal of Materials Chemistry 3 (1993) 1171-1177
Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide
precursors and sol-gel methods, and study of the structure and Cu-Ti
distribution by X-ray and neutron diffraction
_cod_database_code 1006097
_database_code_amcsd 0013070
5.6262 7.8396 5.5702 90 90 90 Pnma
atom     x     y      z  occ
La1  .0387   .25 -.0097
Cu1      0     0     .5 .496
Ti1      0     0     .5 .504
O1    .483   .25  .0759
O2   .2891 .0400  .7116
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Kusachiite
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 1.5 K
_database_code_amcsd 0013255
8.4989 8.4989 5.7973 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Bi   .0817 -.0817    .75 .224 .00072 .00072 .00191 .00009  .00016 .00016
Cu     .25    .25  .0766 .305 .00077 .00077 .00349      0       0      0
O    .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006
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Kusachiite
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 30 K
_database_code_amcsd 0013256
8.4988 8.4988 5.7976 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Bi   .0817 -.0817    .75 .251 .00079 .00079 .00221  .00010  .00029 .00029
Cu     .25    .25  .0764 .312 .00083 .00083 .00340       0       0      0
O    .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003  .00014 .00012
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Kusachiite
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 75 K
_database_code_amcsd 0013257
8.4987 8.4987 5.7999 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Bi   .0818 -.0818    .75 .316 .00101 .00101 .00270 .00010  .00011  .00011
Cu     .25    .25  .0765 .348 .00084 .00084 .00414      0       0       0
O    .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005
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Kusachiite
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D
 
Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Crystal and magnetic structures of Bi2CuO4
Locality: synthetic
Sample: T = 290 K
_database_code_amcsd 0013258
8.5039 8.5039 5.8202 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Bi   .0814 -.0814    .75 .736 .00227 .00227 .00660 .00015  .00014 .00014
Cu     .25    .25  .0770 .675 .00189 .00189 .00688      0       0      0
O    .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039  .00025 .00039
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F4 H2 K Mn O
 
Palacio F, Andres M, Rodriguez-Carvajal J, Pannetier J
 
Journal of Physics: Condensed Matter 3 (1991) 2379-2390
Magnetic structures of the MnIII weak ferromagnets AMnF4.H2O (A=Rb and K)
_cod_database_code 1006040
_database_code_amcsd 0013261
13.7546 6.1406 10.3343 90 104.230 90 C2/c
atom     x      y     z
K1   .0797  .7218 .4396
Mn1    .25    .25    .5
Mn2      0  .2456   .25
F1   .1023  .2451 .4370
F2   .2484 -.0466 .4608
F3   .0665  .0425 .1821
F4   .0734  .4630 .1871
O1   .2615  .3331 .3016
H1   .1959  .4045 .2505
H2   .3095  .4029  .292
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F4 H2 Mn O Rb
 
Palacio F, Andres M, Rodriguez-Carvajal J, Pannetier J
 
Journal of Physics: Condensed Matter 3 (1991) 2379-2390
Magnetic structures of the MnIII weak ferromagnets AMnF4.H2O (A=Rb and K)
_cod_database_code 1006041
_database_code_amcsd 0013262
13.8323 6.4285 10.4837 90 103.980 90 C2/c
atom     x      y     z
Rb1  .0790  .7452 .4388
Mn1    .25    .25    .5
Mn2      0  .2456   .25
F1   .1051  .2510 .4344
F2   .2494 -.0263 .4584
F3   .0707  .0441 .1874
F4   .0715  .4498 .1883
O1   .2647  .3311 .3086
H1   .2097  .3935 .2508
H2   .3199  .4131  .307
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La2NiO4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J
 
Journal of Physics: Condensed Matter 3 (1991) 3215-3234
Neutron diffraction study on structural and magnetic properties of La2NiO4
_cod_database_code 1006042
_database_code_amcsd 0013263
5.4618 5.4967 12.561 90 90 90 Bmab
atom   x     y      z
La1    0 -.012  .3657
Ni1    0     0      0
O1   .25   .25 -.0160
O2     0  .053   .179
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La2NiO4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J
 
Journal of Physics: Condensed Matter 3 (1991) 3215-3234
Neutron diffraction study on structural and magnetic properties of La2NiO4
_cod_database_code 1006043
_database_code_amcsd 0013264
5.4995 5.4995 12.5052 90 90 90 *P4_2/ncm
.25 -.25 .25
atom      x      y      z
La1  -.0072 -.0072  .3639
Ni1       0      0      0
O1      .25    .25 -.0155
O2      .25    .75      0
O3    .0314  .0314  .1771
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La2NiO4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J
 
Journal of Physics: Condensed Matter 3 (1991) 3215-3234
Neutron diffraction study on structural and magnetic properties of La2NiO4
_cod_database_code 1006044
_database_code_amcsd 0013265
5.4419 5.5364 12.4896 90 90 90 Bmab
atom   x      y      z
La1    0 -.0102  .3639
Ni1    0      0      0
O1   .25    .25 -.0109
O2     0  .0417  .1771
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La2NiO4
 
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J
 
Journal of Physics: Condensed Matter 3 (1991) 3215-3234
Neutron diffraction study on structural and magnetic properties of La2NiO4
_cod_database_code 1006045
_database_code_amcsd 0013266
5.4499 5.5275 12.5118 90 90 90 Bmab
atom   x      y      z
La1    0 -.0099  .3634
Ni1    0      0      0
O1   .25    .25 -.0095
O2     0  .0397  .1778
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F3 H4 Mn N
 
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J
 
Journal of Physics: Condensed Matter 7 (1995) 563-575
A single-crystal neutron diffraction study of N H4 Mn F3
_cod_database_code 1006079
_database_code_amcsd 0013267
4.2364 4.2364 4.2364 90 90 90 Pm3m
atom  x      y      z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Mn1   0      0      0       .00652 .00652 .00652      0      0       0
F1   .5      0      0       .00615 .02589 .02589      0      0       0
N1   .5     .5     .5       .01452 .01452 .01452      0      0       0
H1   .5 .68692 .63895 .1667 .03928 .04825 .04007      0      0 -.01849
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F3 H4 Mn N
 
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J
 
Journal of Physics: Condensed Matter 7 (1995) 563-575
A single-crystal neutron diffraction study of N H4 Mn F3
_cod_database_code 1006080
_database_code_amcsd 0013268
4.2364 4.2364 4.2364 90 90 90 Pm3m
atom  x  y  z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1   0  0  0 .00613 .00613 .00613      0      0      0
F1   .5  0  0  .0064 .02461 .02461      0      0      0
N1   .5 .5 .5 .01566 .01566 .01566      0      0      0
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F3 H4 Mn N
 
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J
 
Journal of Physics: Condensed Matter 7 (1995) 563-575
A single-crystal neutron diffraction study of N H4 Mn F3
_cod_database_code 1006081
_database_code_amcsd 0013269
5.952 8.543 5.949 90 90 90 Pnma
atom      x     y     z   occ
Mn1       0     0     0
N1       .5   .25     0
F1    .2718 .0069 .7692
F2   -.0152   .25 .0210
H1   -.0365   .25 .3405 .9625
H2   -.0075   .25 .6722  .050
H3    .1691   .25 .5138 1.012
H4   -.0878 .3355  .412  .050
H5   -.0644 .3551 .5771 .9625
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F3 H4 Mn N
 
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J
 
Journal of Physics: Condensed Matter 7 (1995) 563-575
A single-crystal neutron diffraction study of N H4 Mn F3
_cod_database_code 1006082
_database_code_amcsd 0013270
5.952 8.543 5.949 90 90 90 Pnma
atom      x     y     z   occ
Mn1       0     0     0
N1       .5   .25     0
F1    .2720 .0084 .7675
F2   -.0114   .25 .0096
H1   -.0442   .25 .3348 1.040
H2    .1656   .25 .5284 1.037
H3   -.0651 .3555 .5770  .980
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Erythrosiderite
Download hom/erythrosiderite.pdf
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006098
_database_code_amcsd 0013271
13.5795 9.7024 7.0147 90 90 90 Pnma
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .35468 .49882  .1465  .0400  .0378  .0412  .0001  .0063      0
Fe1  .11457    .25 .19024 .01915 .01802 .02097      0 -.0034      0
Cl1  .25019    .25  .3923  .0238  .0314  .0241      0 -.0062      0
Cl2   .2179    .25 -.0794  .0451  .0465 .02240      0  .0069      0
Cl3  .00597    .25  .4587  .0294  .0383  .0376      0  .0120      0
Cl4  .10493 .49374  .1809  .0409  .0176  .0448 -.0003 -.0139      0
O1    .0064    .25  .0089   .029   .021   .054      0  -.026      0
H1   -.0044  .3126 -.0372
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Cl5 D2 Fe K2 O
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006099
_database_code_amcsd 0013272
13.5862 9.7087 7.0177 90 90 90 Pnma
atom      x     y      z
K1    .3502 .5125  .1357
Fe1   .1150   .25  .1917
Cl1   .2466   .25  .3870
Cl2   .2213   .25 -.0847
Cl3   .0042   .25  .4512
Cl4  .10605 .4907  .1785
O1   -.0063   .25  .0151
D1   -.0372 .3315 -.0450
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Cl5 D2 Fe K2 O
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006100
_database_code_amcsd 0013273
13.4653 9.6132 6.9836 90 90 90 Pnma
atom      x     y      z
K1    .3546 .4947  .1430
Fe1   .1157   .25  .1953
Cl1   .2501   .25  .3919
Cl2   .2201   .25 -.0799
Cl3   .0060   .25  .4655
Cl4   .1046 .4957  .1862
O1   -.0101   .25  .0230
D1   -.0355 .3326  -.048
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Cl5 D2 Fe K2 O
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006101
_database_code_amcsd 0013274
13.4389 9.6025 6.9789 90 90 90 Pnma
atom      x     y      z
K1    .3535 .4947  .1418
Fe1   .1158   .25  .1954
Cl1   .2512   .25  .3943
Cl2   .2197   .25 -.0800
Cl3   .0069   .25  .4678
Cl4   .1048 .4958  .1867
O1   -.0083   .25  .0237
D1   -.0363 .3325 -.0477
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Cl5 D2 Fe K2 O
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006102
_database_code_amcsd 0013275
13.4391 9.5981 6.9797 90 90 90 Pnma
atom      x     y      z
K1    .3536 .4970  .1409
Fe1   .1154   .25  .1950
Cl1   .2516   .25  .3947
Cl2   .2197   .25 -.0802
Cl3   .0070   .25  .4678
Cl4   .1049 .4961  .1866
O1   -.0079   .25  .0239
D1   -.0364 .3324 .95233
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Cl5 D2 Fe O Rb2
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006103
_database_code_amcsd 0013276
13.8015 9.9049 7.0783 90 90 90 Pnma
atom      x     y      z
Rb1   .3565 .5003  .1554
Fe1   .1155   .25  .1916
Cl1   .2452   .25  .3988
Cl2   .2203   .25 -.0697
Cl3   .0063   .25  .4527
Cl4   .1040 .4902  .1768
O1   -.0064   .25  .0034
D1   -.0345 .3298 -.0450
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Cl5 D2 Fe O Rb2
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006104
_database_code_amcsd 0013277
13.7101 9.8517 7.0255 90 90 90 Pnma
atom      x     y      z
Rb1   .3569 .4989  .1606
Fe1   .1150   .25  .1936
Cl1   .2471   .25  .4018
Cl2   .2234   .25 -.0689
Cl3   .0053   .25  .4595
Cl4    .104 .4919  .1799
O1   -.0042   .25  .0110
D1   -.0343 .3300 -.0488
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Cl5 D2 Fe O Rb2
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006105
_database_code_amcsd 0013278
13.6798 9.8507 7.0069 90 90 90 Pnma
atom      x     y      z
Rb1   .3567 .4987  .1594
Fe1   .1149   .25  .1931
Cl1   .2462   .25  .4027
Cl2   .2236   .25 -.0670
Cl3   .0066   .25  .4623
Cl4   .1032 .4907  .1797
O1   -.0020   .25  .0124
D1   -.0342 .3294 -.0483
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Cl5 D2 Fe O Rb2
 
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
 
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006106
_database_code_amcsd 0013279
13.6801 9.8471 7.0073 90 90 90 Pnma
atom      x     y      z
Rb1   .3566 .4992  .1599
Fe1   .1147   .25  .1936
Cl1   .2464   .25  .4023
Cl2   .2238   .25 -.0665
Cl3   .0066   .25  .4622
Cl4   .1032 .4907  .1794
O1   -.0014   .25  .0122
D1   -.0341 .3297 -.0479
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Ba Cu Dy2 O5
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006051
_database_code_amcsd 0013742
12.2061 5.6732 7.1355 90 90 90 Pnma
atom     x      y     z
Ba1  .9049    .25 .9291
Dy1  .2891    .25 .1174
Dy2  .0744    .25 .3969
Cu1  .6599    .25 .7114
O1   .4327 -.0090 .1674
O2   .2283  .5042 .3558
O3   .1003    .25 .0820
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Ba Cu Ho2 O5
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006052
_database_code_amcsd 0013743
12.1825 5.6630 7.1336 90 90 90 Pnma
atom     x      y     z
Ba1  .9048    .25 .9304
Ho1  .2884    .25 .1162
Ho2  .0740    .25 .3957
Cu1  .6595    .25 .7130
O1   .4328 -.0073 .1660
O2   .2278  .5040 .3562
O3   .1004    .25 .0806
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Ba Cu O5 Y2
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006053
_database_code_amcsd 0013744
12.1792 5.6590 7.1325 90 90 90 Pnma
atom     x      y     z
Ba1  .9049    .25 .9307
Y1   .2885    .25 .1157
Y2   .0738    .25 .3960
Cu1  .6589    .25 .7132
O1   .4326 -.0067 .1661
O2   .2278  .5045 .3565
O3   .0997    .25 .0802
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Ba Cu Er2 O5
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006054
_database_code_amcsd 0013745
12.1423 5.6459 7.1072 90 90 90 Pnma
atom     x      y     z
Ba1  .9057    .25 .9307
Er1  .2885    .25 .1171
Er2  .0743    .25 .3965
Cu1  .6599    .25 .7123
O1   .4333 -.0076 .1661
O2   .2283  .5024 .3571
O3   .1008    .25 .0832
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Ba Cu O5 Tm2
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006055
_database_code_amcsd 0013746
12.1011 5.6275 7.0793 90 90 90 Pnma
atom     x      y     z
Ba1  .9045    .25 .9298
Tm1  .2885    .25 .1177
Tm2  .0738    .25 .3969
Cu1  .6597    .25 .7120
O1   .4333 -.0071 .1644
O2   .2276  .5014 .3579
O3   .1010    .25 .0830
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Ba Cu O5 Yb2
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006056
_database_code_amcsd 0013747
12.0652 5.6152 7.0569 90 90 90 Pnma
atom     x      y     z
Ba1  .9048    .25 .9292
Yb1  .2884    .25 .1176
Yb2  .0738    .25 .3972
Cu1  .6594    .25 .7126
O1   .4329 -.0065 .1649
O2   .2279  .5025 .3594
O3   .1011    .25 .0847
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Ba Cu Lu2 O5
 
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J,
Saez-Puche R, Martinez J
 
Journal of Solid State Chemistry 100 (1992) 201-211
Structural characterization of R2BaCuO5
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction
_cod_database_code 1006057
_database_code_amcsd 0013748
12.0342 5.6003 7.0395 90 90 90 Pnma
atom     x      y     z
Ba1  .9039    .25 .9306
Lu1  .2887    .25 .1183
Lu2  .0736    .25 .3967
Cu1  .6594    .25 .7130
O1   .4332 -.0056 .1638
O2   .2274  .5015 .3595
O3   .1011    .25 .0850
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Ba Ca0.22 Er1.78 Ni O5
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006068
_database_code_amcsd 0013803
3.7423 5.7416 11.2729 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2038 .112
Er1  .5     0 .2038 .888
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2397 .1481
O2   .5     0     0
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Ba Ca0.36 Er1.64 Ni O5
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006069
_database_code_amcsd 0013804
3.7342 5.7486 11.2625 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2041 .180
Er1  .5     0 .2041  .82
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2394 .1472
O2   .5     0     0
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Ba Ca0.19 Er1.81 Ni O4.76
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006070
_database_code_amcsd 0013805
3.7106 5.7461 11.3007 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2047 .095
Er1  .5     0 .2047 .905
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2408 .1487
O2   .5     0     0  .76
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Ba Ca0.34 Er1.66 Ni O4.58
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006071
_database_code_amcsd 0013806
3.6876 5.7467 11.3012 90 90 90 Immm
atom  x     y     z occ
Ca1  .5     0 .2049 .17
Er1  .5     0 .2049 .83
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2405 .1476 .99
O2   .5     0     0 .62
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Ba Co4.1 Fe3.84 O19 Ti4.06
 
Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M
 
Journal of Solid State Chemistry 111 (1994) 229-237
The solid solution BaFe12-2xCoxTixO19 (0
distribution by neutron diffraction
_cod_database_code 1006065
_database_code_amcsd 0013810
5.9062 5.9062 23.342 90 90 120 P6_3/mmc
atom     x     y      z occ
Ba1    2/3   1/3    .25
Fe1      0     0      0 .48
Ti1      0     0      0 .52
Fe2    1/3   2/3  .0250 .16
Co1    1/3   2/3  .0250 .84
Fe3    1/3   2/3   .189 .24
Co2    1/3   2/3   .189 .10
Ti2    1/3   2/3   .189 .66
Fe4      0     0  .2607 .23
Co3      0     0  .2607 .27
Fe5    1/6  .334  .8942 .35
Co4    1/6  .334  .8942 .28
Ti3    1/6  .334  .8942 .37
O1       0     0  .1512
O2     1/3   2/3 -.0581
O3   .1870 .3740    .25
O4   .1517 .3034  .0529
O5      .5     0  .1507
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Ba Co6.01 O19 Ti5.99
 
Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M
 
Journal of Solid State Chemistry 111 (1994) 229-237
The solid solution BaFe12-2xCoxTixO19 (0
distribution by neutron diffraction
_cod_database_code 1006066
_database_code_amcsd 0013811
5.9174 5.9174 23.368 90 90 120 P6_3/mmc
atom     x     y      z  occ
Ba1    2/3   1/3    .25
Co1      0     0      0  .17
Ti1      0     0      0  .83
Co2    1/3   2/3  .0251
Co3    1/3   2/3  .1912  .17
Ti2    1/3   2/3  .1912  .83
Co4      0     0  .2540  .40
Ti3      0     0  .2540  .10
Co5   .173  .346  .8918 .450
Ti4   .173  .346  .8918 .550
O1       0     0  .1508
O2     1/3   2/3 -.0581
O3   .1873 .3746    .25
O4   .1498 .2996  .0524
O5      .5     0  .1506
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La1.2 O4 U0.8
 
Rojas R, Herrero P, Garcia Chain P, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 112 (1994) 322-328
Structural study of the rhombohedral fluorite-related RIII phase U1-
yLayO2+x, 0.56
_cod_database_code 1006067
_database_code_amcsd 0013830
3.94275 3.94275 18.87889 90 90 120 R-3m
atom x y     z occ
La1  0 0     0
La2  0 0    .5  .2
U1   0 0    .5  .8
O1   0 0 .1334
O2   0 0 .3847
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Cu2 Ho2 O5
 
Garcia-Munoz J, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 115 (1995) 324-331
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
_cod_database_code 1006083
_database_code_amcsd 0013844
10.8096 3.4962 12.4735 90 90 90 Pna2_1
atom     x    y     z
Ho1   .208 .227     0
Ho2  .0424 .226 .3303
Cu1  .9902 .662  .115
Cu2  .2610 .664  .217
O1    .173 .726  .359
O2    .324 .712  .066
O3    .124 .320  .169
O4    .427 .776  .263
O5    .426 .230  .479
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Cu2 O5 Y2
 
Garcia-Munoz J, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 115 (1995) 324-331
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
_cod_database_code 1006084
_database_code_amcsd 0013845
10.796 3.494 12.4546 90 90 90 Pna2_1
atom     x    y     z
Y1   .2067 .231     0
Y2   .0406 .232 .3294
Cu1  .9909 .656 .1123
Cu2  .2602 .674 .2151
O1   .1761 .723 .3487
O2   .3262 .733 .0665
O3    .123 .314  .165
O4    .431 .781  .263
O5   .4241 .236  .470
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Cu2 Er2 O5
 
Garcia-Munoz J, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 115 (1995) 324-331
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
_cod_database_code 1006085
_database_code_amcsd 0013846
10.7839 3.4745 12.4434 90 90 90 Pna2_1
atom     x    y     z
Er1   .207 .226     0
Er2  .0414 .222 .3300
Cu1  .9911 .653  .112
Cu2  .2593 .669  .215
O1    .176 .727  .357
O2    .322 .713  .059
O3    .124 .319  .167
O4    .427 .773  .259
O5    .424 .227  .476
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Cu2 O5 Tm2
 
Garcia-Munoz J, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 115 (1995) 324-331
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
_cod_database_code 1006086
_database_code_amcsd 0013847
10.7353 3.4575 12.3704 90 90 90 Pna2_1
atom     x    y     z
Tm1   .208 .234     0
Tm2   .040 .225 .3308
Cu1  .9892 .650  .114
Cu2  .2598 .672  .216
O1    .173 .724  .358
O2    .323 .722  .065
O3    .127 .304  .167
O4    .428 .776  .262
O5    .424 .228  .477
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Cu2 O5 Yb2
 
Garcia-Munoz J, Rodriguez-Carvajal J
 
Journal of Solid State Chemistry 115 (1995) 324-331
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
_cod_database_code 1006087
_database_code_amcsd 0013848
10.7290 3.4355 12.3531 90 90 90 Pna2_1
atom     x     y     z
Yb1  .2088 .2269     0
Yb2  .0416 .2231 .3304
Cu1  .9907  .661  .113
Cu2  .2608  .661  .217
O1    .174  .729  .357
O2    .323  .718  .064
O3    .125  .313  .165
O4    .428  .778  .263
O5    .425  .228  .476
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Cu Nb2 O6
 
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H
 
Journal of Solid State Chemistry 115 (1995) 476-483
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
_cod_database_code 1006088
_database_code_amcsd 0013852
14.097 5.613 5.123 90 90 90 Pbcn
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0 .3297   .25  .0072  .0062  .0085      0  .0021      0
Nb1  .1598 .1825 .7805  .0059  .0061  .0045  .0000 -.0003  .0001
O1   .0922 .1024 .1006  .0083  .0074  .0056  .0012  .0004  .0007
O2   .4161 .0955 .1459  .0099  .0088  .0101  .0024 -.0004  .0000
O3   .7589 .1282 .0474  .0078  .0083  .0062  .0023  .0007  .0008
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Cu0.36 Nb2 O6 Zn0.64
 
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H
 
Journal of Solid State Chemistry 115 (1995) 476-483
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
_cod_database_code 1006089
_database_code_amcsd 0013853
14.187 5.730 5.031 90 90 90 Pbcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0 .3272   .25 .36  .0065  .0083  .0075      0 -.0002      0
Zn1      0 .3272   .25 .64  .0065  .0083  .0075      0 -.0002      0
Nb1  .3396 .3180 .2444      .0048  .0042  .0053  .0001  .0003  .0001
O1   .0962 .1047 .0673      .0068  .0061  .0064  .0015  .0012  .0002
O2   .2443 .1222 .4144      .0071  .0060   .006 -.0009  .0010  .0009
O3   .4198 .1188 .0866      .0086  .0064  .0091  .0020  .0016 -.0015
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Cu Nb2 O6
 
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H
 
Journal of Solid State Chemistry 115 (1995) 476-483
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
_cod_database_code 1006090
_database_code_amcsd 0013854
5.0064 14.1733 5.7615 90 91.672 90 P2_1/c
atom     x     y     z
Cu1  .2502 .0002 .3420
Nb1  .7370 .1607 .2037
Nb2  .2353 .1615 .8466
O1   .0627 .0965 .1378
O2   .5737 .0781 .4009
O3   .4037 .2451 .1448
O4   .9002 .2448 .9086
O5   .5560 .0969 .9229
O6   .0643 .0799 .6519
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Cu0.85 Nb2 O6 Zn0.15
 
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H
 
Journal of Solid State Chemistry 115 (1995) 476-483
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
_cod_database_code 1006091
_database_code_amcsd 0013855
5.0070 14.1706 5.7547 90 91.451 90 P2_1/c
atom     x     y     z occ
Cu1  .2518 .0011 .3383 .85
Zn1  .2518 .0011 .3383 .15
Nb1  .7371 .1599 .2014
Nb2  .2336 .1623 .8411
O1   .0621 .0963 .1321
O2   .5759 .0784 .3991
O3   .4049 .2448 .1430
O4   .9008 .2448 .9040
O5   .5560 .0974 .9212
O6   .0643 .0795 .6489
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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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La2 Li O6 Sb
 
Lopez M, Veiga M, Rodriguez-Carvajal J, Fernandez F, Jerez A, Pico C
 
Materials Research Bulletin 27 (1992) 647-654
The monoclinic perovskite La2LiSbO6. A Rietveld refinement of
neutron powder diffraction data
_cod_database_code 1006046
_database_code_amcsd 0014366
5.6226 5.7199 7.9689 90 89.796 90 P2_1/n
atom     x     y      z
La1  .5101 .5442  .2535
Li1      0    .5      0
Sb1     .5     0      0
O1   .2133 .1949 -.0420
O2   .3005 .7179 -.0456
O3   .4132 .9781  .2394
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Perovskite (La, Cu, Ti)
 
Palacin M, Bassas J, Rodriguez-Carvajal J, Fuertes A, Casan-Pastor N, Gomez-Romero P
 
Materials Research Bulletin 29 (1994) 973-980
Studies of the formation and reduction of a mixed three-dimensional
perovskite of copper and titanium
_cod_database_code 1006117
_database_code_amcsd 0014369
5.575 7.866 5.579 90 90 90 Pnma
atom     x    y      z occ
La1  .0181  .25 -.0016
Cu1      0    0     .5 .48
Ti1      0    0     .5 .52
O1    .496  .25   .064
O2    .271 .037   .718
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Bi4 Cu5 O19.06 Sr7.86
 
Caldes M, Navarro J, Fuertes A, Obradors X, Miravitlles C,
Rodriguez-Carvajal J, Vallet M, Gonzalez-Calbet J
 
Materials Research Society Symposia Proceedings 169 (1990) 133-138
High resolution neutron powder diffraction study of the tubular phase
Bi4Sr8Cu5O19+x
_cod_database_code 1006050
_database_code_amcsd 0014384
3.671 33.9719 24.0722 90 90 90 Fmmm
atom     x     y     z  occ
Bi1      0 .2883 .1889
Bi2      0 .1343 .1909
Sr1      0 .2112 .0741
Sr2      0 .0573 .0855 .930
Sr3      0 .3652 .0783
Sr4      0 .4455 .1961
Cu1      0 .4422     0
Cu2      0 .1339     0
Cu3      0 .2901     0
Cu4      0    .5 .0833
Cu5      0     0 .1947
O1       0 .1351 .1047
O2      .5 .2093 .1026
O3       0 .0740 .1963
O4      .5 .0562 .0813 .842
O5   .3825 .2753 .1835   .5
O6   .4018 .1329 .1845   .5
O7   .2346 .0932     0 .620
O8   .2541 .1711     0
O9     .25   .25     0
O10  .2394     0 .1392 .796
O11    .25     0   .25
O12  .3575     0     0 .544
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F4 K Mn
 
Moron M, Palacio F, Rodriguez-Carvajal J
 
Physica B 180 (1992) 125-127
Neutron powder diffraction experiments on AMnF4 (A = K, Rb): nuclear
and magnetic structures
_cod_database_code 1006039
_database_code_amcsd 0015005
7.7063 7.6568 5.7889 90 90.434 90 P2_1/a
atom      x      y     z
Mn1       0      0     0
Mn2      .5      0     0
F1    .0033  .2359 .1150
F2   -.2630 -.0193 .0952
F3    .0554 -.0761 .2884
F4   -.0638  .5611 .2883
K1    .7458  .3023 .4885
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