American Mineralogist Crystal Structure Database

18 matching records for this search.

Bi4 Cu5 O19.06 Sr7.86
 
Caldes M, Navarro J, Perez F, Carrera M, Fontcuberta J, Casan-Pastor N,
Miravitlles C, Obradors X, Rodriguez-Carjaval J
Gonzalez-Calbet J, Vallet-Regi M, Garcia A, Fuertes A
 
Chemistry of Materials 3 (1991) 844-852
Electron microscopy, neutron diffraction and physical properties
of Bi4Sr8Cu5O19+y
_cod_database_code 1006049
_database_code_amcsd 0012198
5.3671 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    .235 .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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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites:
BaFe12O19, BaMg2-W and CaCo2-W
Note: T = 470 C, neutron, refined with MXD
Locality: synthetic
_database_code_amcsd 0013057
5.929 5.929 23.413 90 90 120 P6_3/mmc
atom     x     y      z occ Biso
Ba     2/3   1/3    .25      2.4
Fe1      0     0      0       .7
Fe2      0     0   .261  .5   .2
Fe3    1/3   2/3  .0264      1.2
Fe4    1/3   2/3  .1897       .7
Fe5  .1667 .3334 -.1081       .7
O1       0     0  .1510      1.9
O2     1/3   2/3 -.0558       .8
O3    .183  .366    .25       .5
O4    .157  .314  .0520      1.0
O5    .503 1.006  .1494      1.0
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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites:
BaFe12O19, BaMg2-W and CaCo2-W
Note: T = 470 C, neutron, refined with Rietveld
Locality: synthetic
_database_code_amcsd 0013058
5.9291 5.9281 23.407 90 90 120 P6_3/mmc
atom     x      y      z occ Biso
Ba     2/3    1/3    .25      1.0
Fe1      0      0      0      1.3
Fe2      0      0   .261  .5   .2
Fe3    1/3    2/3  .0270      1.0
Fe4    1/3    2/3  .1908       .4
Fe5  .1671  .3342 -.1080      1.2
O1       0      0  .1492       .5
O2     1/3    2/3 -.0547       .8
O3    .181   .362    .25       .7
O4   .1559  .3118  .0517       .7
O5   .5013 1.0026  .1491      1.0
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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites:
BaFe12O19, BaMg2-W and CaCo2-W
Note: T = 4.2 K
Locality: synthetic
_database_code_amcsd 0013059
5.865 5.865 23.099 90 90 120 P6_3/mmc
atom     x     y      z
Ba     2/3   1/3    .25
Fe1      0     0      0
Fe2      0     0    .25
Fe3    1/3   2/3  .0280
Fe4    1/3   2/3  .1897
Fe5  .1666 .3332 -.1083
O1       0     0  .1519
O2     1/3   2/3 -.0555
O3    .188  .376    .25
O4    .159  .318  .0523
O5    .500     0  .1493
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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites:
BaFe12O19, BaMg2-W and CaCo2-W
Note: T = 4.2 K
Sample: BaMg2 - W
Locality: synthetic
_database_code_amcsd 0013060
5.892 5.892 32.85 90 90 120 P6_3/mmc
atom      x      y      z  occ
Ba        0      0    .25
Fe1     1/3    2/3   -.25
Fe2     1/3    2/3 -.4254 .914
Mg2     1/3    2/3 -.4254 .086
Fe3      .5      0      0 .595
Mg3      .5      0      0 .405
Fe4       0      0  .0558 .852
Mg4       0      0  .0558 .148
Fe5     1/3    2/3  .0933 .876
Mg5     1/3    2/3  .0933 .124
Fe6     1/3    2/3  .2082
Fe7  -.1638 -.3276  .1495
O1        0      0   .116
O2      1/3    2/3  .0317
O3      1/3    2/3  -.327
O4     .489   .978    .25
O5     .503  1.006  .1096
O6    -.175   -.35  .0371
O7     .164   .328  .1820
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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites:
BaFe12O19, BaMg2-W and CaCo2-W
Note: T = 4.2 K
Sample: BaCo2 - W
Locality: synthetic
_database_code_amcsd 0013061
5.899 5.899 32.846 90 90 120 P6_3/mmc
atom      x      y      z  occ
Ba        0      0    .25
Fe1     1/3    2/3   -.25
Fe2     1/3    2/3 -.4268 .914
Co2     1/3    2/3 -.4268 .086
Fe3      .5      0      0 .595
Co3      .5      0      0 .405
Fe4       0      0  .0552 .852
Co4       0      0  .0552 .148
Fe5     1/3    2/3  .0926 .876
Co5     1/3    2/3  .0926 .124
Fe6     1/3    2/3  .2072
Fe7  -.1643 -.3286  .1506
O1        0      0   .116
O2      1/3    2/3  .0317
O3      1/3    2/3  -.327
O4     .488   .976    .25
O5     .502  1.004  .1098
O6    -.176  -.352   .035
O7     .170    .34  .1811
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Barioferrite
 
Collomb A, Wolfers P, Obradors X
 
Journal of Magnetism and Magnetic Materials 62 (1986) 57-67
Neutron diffraction studies of some hexagonal ferrites: BaFe12O19,
BaMg2-W and BaCo2-W
Locality: synthetic
_cod_database_code 1008327
_database_code_amcsd 0016241
5.9281 5.9281 23.407 90 90 120 P6_3/mmc
atom     x     y      z occ
Ba1    2/3   1/3    .25
Fe1      0     0      0
Fe2      0     0   .261  .5
Fe3    1/3   2/3  .0270
Fe4    1/3   2/3  .1908
Fe5  .1671 .3342 -.1080
O1       0     0  .1492
O2     1/3   2/3 -.0547
O3    .181  .362    .25
O4   .1559 .3118  .0517
O5   .5013 .0026  .1491
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Barioferrite
 
Obradors X, Collomb A, Pernet M, Samaras D, Joubert J
 
Journal of Solid State Chemistry 56 (1985) 171-181
X-ray analysis of the structural and dynamic properties of BaFe12O19
hexagonal ferrite at room temperature
_cod_database_code 1008841
_database_code_amcsd 0016709
5.8920 5.8920 23.183 90 90 120 P6_3/mmc
atom      x      y       z occ
Ba1     2/3    1/3     .25
Fe1       0      0       0
Fe2       0      0  .25733  .5
Fe3     1/3    2/3  .02713
Fe4     1/3    2/3  .19030
Fe5  .16868 .33735 -.10825
O1        0      0  .15094
O2      1/3    2/3 -.05454
O3   .18213 .36426     .25
O4   .15647 .31294  .05192
O5    .5026 .00520  .14957
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Fe12 O19 Sr
 
Obradors X, Solans X, Collomb A, Samaras D, Rodriguez J, Pernet M, Font-Altaba M
 
Journal of Solid State Chemistry 72 (1988) 218-224
Crystal structure of strontium hexaferrite Sr Fe12 O19
_cod_database_code 1006000
_database_code_amcsd 0013608
5.8844 5.8844 23.050 90 90 120 P6_3/mmc
atom     x     y      z occ
Sr1    2/3   1/3    .25
Fe1      0     0      0
Fe2      0     0  .2542  .5
Fe3    1/3   2/3  .0272
Fe4    1/3   2/3  .1909
Fe5  .1689 .3378 -.1093
O1       0     0  .1516
O2     1/3   2/3 -.0552
O3   .1817 .3634    .25
O4   .1565 .3130  .0527
O5   .5047 .0094  .1508
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Ba12 Fe29.28 O84 Ti13.72
 
Grey I, Collomb A, Obradors X
 
Journal of Solid State Chemistry 91 (1991) 131-139
The crystal structure of a new quaternary ferrite: Ba12 Fe28 Ti15 O84
_cod_database_code 1008712
_database_code_amcsd 0016596
9.988 17.29799 19.17 90 99.33 90 C2/m
atom     x     y     z occ
Ba1  .3174 .1633 .4381
Ba2  .8076     0 .4405
Ba3  .4387 .3327 .3107
Ba4  .3152     0 .0839
Fe1      0     0     0
Fe2  .1714 .1720 .0272
Fe3      0 .3442     0 .91
Ti1      0 .3442     0 .09
Fe4  .7039     0 .1112 .83
Ti2  .7039     0 .1112 .17
Fe5  .9520 .2583 .1327 .87
Ti3  .9520 .2583 .1327 .13
Fe6  .7097 .1644 .1332 .91
Ti4  .7097 .1644 .1332 .09
Fe7  .9835 .0858 .1335 .88
Ti5  .9835 .0858 .1335 .12
Fe8  .2697    .5 .2594 .68
Ti6  .2697    .5 .2594 .32
Fe9  .5098 .0927 .2502 .24
Ti7  .5098 .0927 .2502 .76
Fe10 .2368     0 .2519 .33
Ti8  .2368     0 .2519 .67
Fe11 .2396 .1762 .2487 .58
Ti9  .2396 .1762 .2487 .42
Fe12 .1370 .3250 .3803 .37
Ti10 .1370 .3250 .3803 .63
Fe13 .1132     0 .3807 .30
Ti11 .1132     0 .3807 .70
Fe14 .4714     0 .4044
Fe15     0 .1665    .5 .39
Ti12     0 .1665    .5 .61
O1   .3054     0 .4331
O2   .3168 .3322 .4373
O3   .0626 .0830 .4385
O4   .0658 .2493 .4378
O5   .0681 .4108 .4322
O6    .453 .1683 .3111
O7   .4342    .5 .3199
O8   .4397     0 .3045
O9   .1832 .0796 .3113
O10  .1987 .2428 .3191
O11  .1893 .4126 .3104
O12  .0620 .1711 .1896
O13  .0597 .3377 .1824
O14  .0792     0 .1837
O15  .0777    .5 .1961
O16  .3186 .0857 .2024
O17  .3092 .2520 .1899
O18  .3137 .4218 .1839
O19  .3558 .1675 .0597
O20  .3641 .3305 .0743
O21  .3762    .5 .0714
O22  .1009 .0814 .0599
O23  .0978 .2594 .0659
O24   .109 .4175 .0605
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Ba Fe4 O11 Ti2
 
Obradors X, Collomb A, Pannetier J, Isalgue A, Tejada J, Joubert J
 
Materials Research Bulletin 18 (1983) 1543-1553
Crystal structure and cationic distribution of Ba Fe4 Ti2 O11
R-type hexagonal ferrite
_cod_database_code 1008210
_database_code_amcsd 0016146
5.843 5.843 13.608 90 90 120 P6_3/mmc
atom    x    y    z occ
Ba1   1/3  2/3  .25
Fe1   1/3  2/3 .778  .5
Fe2     0    0 .139 .55
Ti1     0    0 .139 .45
Fe3    .5    0    0 .63
Ti2    .5    0    0 .37
O1    1/3  2/3 .582
O2   .849 .698  .25
O3   .175 .350 .082
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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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Bi4 Cu5 O20.5 Sr8
 
Fuertes A, Miravitilles C, Gonzales-Calbet J, Vallet-Regi M, Obradors X, Rodriguez-Carvajal J
 
Physica C 157 (1989) 525-530
The tubular crystal structure of the new phase Bi4Sr8Cu5O19+x related
to the supercoducting perovskites
_cod_database_code 1006012
_database_code_amcsd 0015014
5.373 33.907 23.966 90 90 90 Fmmm
atom    x     y     z occ
Bi1     0 .2884 .1891
Bi2     0 .1345 .1915
Sr1     0 .2115 .0744
Sr2     0 .0563 .0841
Sr3     0 .3655 .0777
Sr4     0 .4461 .1950
Cu1     0 .4448     0
Cu2     0 .1323     0
Cu3     0 .2897     0
Cu4     0    .5 .0824
Cu5     0     0 .1943
O1      0 .1334 .1047
O2     .5  .210 .1047
O3      0  .073  .195
O4     .5  .057  .082
O5   .380  .275  .178  .5
O6   .417  .135  .185  .5
O7   .244  .091     0
O8   .244 .1704     0
O9    .25   .25     0
O10  .244     0  .137
O11   .25     0   .25
O12   .35     0     0  .5
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Ca Cu2 La2 O6.037
 
Fuertes A, Obradors X, Navarro J, Gomez-Romero P, Casan-Pastor N,
Perez F, Fontcuberta J, Miravitlles C
Rodriguez-Carvajal J, Martinez B
 
Physica C 170 (1990) 153-160
Oxygen excess and superconductivity at 45 K in La2 Ca Cu2 O6+y
_cod_database_code 1006107
_database_code_amcsd 0015020
3.82820 3.82820 19.4498 90 90 90 I4/mmm
atom x  y     z  occ
Ca1  0  0     0  .77
La1  0  0     0  .23
La2  0  0 .1756 .885
Ca2  0  0 .1756 .115
Cu1  0  0 .5853
O1   0 .5 .0821
O2   0  0 .7040
O3   0  0    .5 .037
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Ca Cu2 La2 O6.037
 
Fuertes A, Obradors X, Navarro J, Gomez-Romero P, Casan-Pastor N,
Perez F, Fontcuberta J, Miravitlles C
Rodriguez-Carvajal J, Martinez B
 
Physica C 170 (1990) 153-160
Oxygen excess and superconductivity at 45 K in La2 Ca Cu2 O6+y
_cod_database_code 1006108
_database_code_amcsd 0015021
3.83350 3.83350 19.51689 90 90 90 I4/mmm
atom x  y     z  occ
Ca1  0  0     0  .77
La1  0  0     0  .23
La2  0  0 .1759 .885
Ca2  0  0 .1759 .115
Cu1  0  0 .5853
O1   0 .5 .0821
O2   0  0 .7039
O3   0  0    .5 .037
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Ni O4 Pr2
 
Fernandez-Diaz M, Martinez J, Rodriguez-Carvajal J, Beille J, Martinez B, Obradors X, Odier P
 
Physical Review B47 (1993) 5834-5840
Metamagnetism in single-crystal Pr2NiO4
_cod_database_code 1008635
_database_code_amcsd 0016524
5.49 5.49 12.17 90 90 90 *P4_2/ncm
.25 -.25 .25
atom      x      y      z
Pr1  -.0129 -.0129  .3634
Ni1       0      0      0
O1      .25    .25 -.0281
O2      .75    .25      0
O3    .0497  .0497 .17835
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Ni O4 Pr2
 
Fernandez-Diaz M, Martinez J, Rodriguez-Carvajal J, Beille J, Martinez B, Obradors X, Odier P
 
Physical Review, Serie 3. B - Condensed Matter 47 (1993) 5834-5840
Metamagnetism in single-crystal Pr2NiO4
_cod_database_code 1006058
_database_code_amcsd 0015286
5.49 5.49 12.17 90 90 90 *P4_2/ncm
.25 -.25 .25
atom      x      y      z
Pr1  -.0129 -.0129  .3634
Ni1       0      0      0
O1      .25    .25 -.0281
O2      .75    .25      0
O3    .0497  .0497 .17835
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Cr7.87 Ga4.13 O19 Sr
 
Obradors X, Labarta A, Isalgue A, Tejada J, Rodriguez J, Pernet M
 
Solid State Communications 65 (1988) 189-192
Magnetic frustration and lattice dimensionality in Sr Cr8 Ga4 O19
_cod_database_code 1006009
_database_code_amcsd 0015456
5.7993 5.7993 22.6584 90 90 120 P6_3/mmc
atom     x     y      z   occ
Sr1      0     0    .25
Ga1      0     0      0   .04
Cr1      0     0      0   .96
Ga2      0     0  .2561    .5
Ga3    1/3   2/3  .0282
Ga4    1/3   2/3  .1925  .135
Cr2    1/3   2/3  .1925  .865
Ga5  .1681 .3362 -.1084 .1367
Cr3  .1681 .3362 -.1084 .8633
O1       0     0  .1515
O2     1/3   2/3 -.0545
O3   .1821 .3642    .25
O4   .1567 .3134  .0528
O5   .5053 .0106  .1510
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Total number of retrieved datasets: 18
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