American Mineralogist Crystal Structure Database

18 matching records for this search.

O52 P8 W12
 
Domenges B, Goreaud M, Labbe P, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=1724
Acta Crystallographica B38 (1982) 1724-1728
P8 W12 O52: A Mixed-Valence Tungsten Oxide Built up from W O6
Octahedra and P2 O7 Groups
_cod_database_code 1001158
_database_code_amcsd 0009766
11.9866 15.5500 5.3197 90 90 90 Pnam
atom      x      y     z
P1    .1997  .4382   .25
P2    .0176  .6532   .75
W1   .86810 .10185   .75
W2   .08270 .13543   .25
W3   .29710 .16244   .75
O1    .3775  .5180   .75
O2    .2169  .5334   .25
O3    .0695  .4230   .25
O4    .2456  .3984 .4849
O5    .4735  .3831 .5024
O6    .0842  .6387 .5107
O7    .3068  .6647 .4976
O8    .3355  .2735   .75
O9    .0444  .2611   .25
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P4W24O80
 
Roussel P, Mather G, Domenges B, Groult D, Labbe P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=54&spage=365
Acta Crystallographica B54 (1998) 365-375
Structural investigation of P4W24O80: A new monophosphate tungsten bronze
_cod_database_code 1001821
_database_code_amcsd 0009905
5.312 6.5557 42.196 90 90 90 P2_12_12_1
atom     x     y      z U(1,1) U(2,2)  U(3,3) U(1,2)  U(1,3)  U(2,3)
W1   .2431 .4272 .69885  .0084  .0081 .005773  .0055  -.0043 -.00256
W2    .251 .0996 .62523  .0092  .0075 .007036  .0045  -.0056 -.00156
W3   .2526 .7578 .55324  .0110  .0099 .008389  -.002   .0042 -.00233
W4   .2622 .4137 .48215  .0051  .0115 .008840  .0011 -.00503 -.00196
W5   .7626 .4299 .58941  .0099  .0088 .007397 -.0026  .00597 -.00101
W6   .7592 .7693 .66258  .0093  .0066 .006494 -.0027   .0019 -.00130
P1    .762 .1144  .7243
O1     .73  .058  .7590
O2    .547  .263  .7170
O3    .025  .211  .7193
O4   -.022  .566  .6888
O5    .477  .609  .6837
O6     .26  .258  .6649
O7    .537  .946  .6466
O8    .038  .902  .6487
O9    .469  .269  .6064
O10  -.036  .244  .6166
O11   .269 -.066  .5920
O12   .547  .626  .5735
O13   .043  .564  .5744
O14   .475  .935  .5321
O15  -.037  .898  .5412
O16   .233  .591  .5181
O17   .542  .281  .4988
O18   .772  .256  .5556
O19   .778  .582  .6302
O20   .726 -.086  .7044
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Co O3.111 Sr0.9999 Tl0.41
 
Boullay P, Domenges B, Hervieu M, Groult D, Raveau B
 
Chemistry of Materials 8 (1996) 1482-1489
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2
_cod_database_code 1001719
_database_code_amcsd 0012211
4.95 25.18999 11.66 90 97.76 90 Cm
atom    x     y   z  occ
Sr1  .025     0 .89   .9
Sr2  .025    .2 .89   .9
Sr3  .025    .4 .89   .9
Sr4  .025    .5 .11   .9
Sr5  .025    .7 .11   .9
Sr6  .025    .9 .11   .9
Co1     0     0  .5
Co2     0  .111  .5
Co3     0  .222  .5
Co4     0  .333  .5
Co5     0  .444  .5
Tl1    .4     0 .71 .615
Tl2    .4  .222 .71 .615
Tl3   .45    .5 .28 .615
Tl4   .45 .7225 .28 .615
O1    .02     0 .11
O2    .02    .2 .11
O3    .02    .4 .11
O4    .02    .5 .89
O5    .02    .7 .89
O6    .02    .9 .89
O7     .3     0  .4
O8     .3  .111  .4
O9     .3  .222  .4
O10    .3  .333  .4
O11    .3  .444  .4
O12    .2 .0555  .6
O13    .2 .1665  .6
O14    .2 .2775  .6
O15    .2 .3885  .6
O16    .2    .5  .6
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Ce0.5 Cu2 Nd1.5 O9 Pb0.5 Sr2.5
 
Gambardella M, Domenges B, Rouillon T, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 333-345
Introduction of fluorite layers in the 1212-type structure: the oxide
(Pb.5Sr.5)Sr2Nd2-xCexCu2O9-d
_cod_database_code 1001531
_database_code_amcsd 0012629
3.8783 3.8783 29.495 90 90 90 I4/mmm
atom  x  y     z occ
Pb1   0  0     0  .5
Sr1   0  0     0  .5
Sr2  .5 .5 .0864
Cu1   0  0 .1476
Nd1  .5 .5 .2063 .75
Ce1  .5 .5 .2063 .25
O1   .5 .5     0
O2    0  0   .07
O3   .5  0   .25
O4   .5  0  .149
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K1.4 O50 P4 W14
 
Domenges B, Goreaud M, Labbe P, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 173-179
K1.4 P4 W14 O50: An Odd-m Member (m=7) of the Monophosphate
Tungsten Bronze Series Kx P4 O8 (W O3)2m
_cod_database_code 1001252
_database_code_amcsd 0013514
6.660 5.3483 27.06 90 97.20 90 A2/m
atom      x    y      z occ U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K1     .363    0  .2498 .35
P1    .1970   .5  .2928
W1        0    0      0      .0039  .0030  .0050      0  -.0012      0
W2   .70062   .5 .05464      .0038  .0029  .0043      0 -.00128      0
W3   .40226    0 .11184      .0036  .0027  .0037      0 -.00119      0
W4   .09390   .5 .16777      .0041  .0027  .0032      0 -.00137      0
O1       .5   .5      0
O2     .846 .249  .0278
O3     .197    0  .0602
O4     .546 .253  .0885
O5     .906   .5  .1137
O6      .25 .253  .1488
O7     .592    0  .1767
O8     .920 .238  .1977
O9     .237   .5  .2383
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Ba Fe0.233 Mn0.767 O2.87
 
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B
 
Journal of Solid State Chemistry 73 (1988) 107-117
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron
Microscopy, Powder Neutron Diffraction, and Mossbauer Study
_cod_database_code 1001348
_database_code_amcsd 0013610
5.687 5.687 14.167 90 90 120 P-6m2
atom    x    y    z occ
Ba1     0    0    0
Ba2   1/3  2/3   .5
Ba3   1/3  2/3 .178
Ba4   2/3  1/3 .342
Mn1     0    0 .243 .87
Fe1     0    0 .243 .13
Mn2     0    0 .417 .98
Fe2     0    0 .417 .02
Mn3   2/3  1/3 .113 .46
Fe3   2/3  1/3 .113 .54
O1   .848 .696   .5
O2   .523 .046    0 .74
O3   .836 .672 .166
O4   .152 .304 .329
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Ce Cu3 O10 Pb2 Pr Sr2
 
Rouillon T, Hervieu M, Domenges B, Raveau B
 
Journal of Solid State Chemistry 103 (1993) 63-74
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of
0201- and 0222-type structures
_cod_database_code 1001527
_database_code_amcsd 0013764
5.4522 5.4807 37.012 90 90 90 Fmmm
atom    x    y     z occ
Cu1     0    0     0
Pb1    .5    0 .0474
Sr1     0    0 .1186
Cu2    .5    0 .1666
Pr1     0    0 .2148  .5
Ce1     0    0 .2148  .5
O1   .045 .077 .0462 .25
O2     .5    0 .1054
O3    .25  .25 .1709
O4    .25  .25   .25
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Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02
 
Rouillon T, Hervieu M, Domenges B, Raveau B
 
Journal of Solid State Chemistry 103 (1993) 63-74
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of
0201- and 0222-type structures
_cod_database_code 1001528
_database_code_amcsd 0013765
5.4512 5.4799 37.0107 90 90 90 Fmmm
atom     x     y     z  occ
Cu1      0     0     0 1.01
Pb1     .5     0 .0475 1.01
Sr1      0     0 .1184 1.01
Cu2     .5     0 .1665
Pr1      0     0 .2146  .50
Ce1      0     0 .2146  .50
O1     .25   .25     0  .02
O2   .0608 .0693 .0491 .252
O3      .5     0 .1050
O4     .25   .25 .1717
O5     .25   .25   .25
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Nd2Ba4Cu2O9
 
Domenges B, Abbattista F, Michel C, Vallino M, Barbey L, Nguyen N, Raveau B
 
Journal of Solid State Chemistry 106 (1993) 271-281
A one-dimensional cuprate closely related to the "0212"-structure: Nd2Ba4Cu2O9
_cod_database_code 1001569
_database_code_amcsd 0013784
12.0717 12.0717 3.8737 90 90 90 P-4n2
atom     x     y   z
Ba1  .1132 .1761 .75
Nd1  .3879 .1121 .25
Cu1  .1005 .3995 .25
O1    .404  .904 .25
O2       0     0  .5
O3    .245  .255 .25
O4   -.026  .300 .25
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Ba4 Ca0.7 Cu5 O14 Y1.3
 
Domenges B, Boullay P, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 108 (1994) 219-229
The substitution of CO3 groups for copper in Y1-xCaxBa2Cu3O7: HREM study
_cod_database_code 1001615
_database_code_amcsd 0013793
7.7704 3.8876 22.98119 90 90 90 Bm2m
atom     x  y     z occ
Y1     .25 .5   .75 .65
Ca1    .25 .5   .75 .35
Ba1  .2414 .5 .9066
C1      .5  0     0
Cu1      0  0     0
Cu2     .5  0 .8190
Cu3      0  0 .8190
O1       0  0  .915
O2     .44  0  .944  .5
O3     .25  0  .815
O4       0 .5  .811
O5      .5 .5  .811
O6       0 .5     0
O7     .67  0     0  .5
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Ba2.5 Co2 Cu3 Eu2.5 O12
 
Barbey L, Domenges B, Nguyen N, Raveau B
 
Journal of Solid State Chemistry 111 (1994) 238-246
Eu2.5Ba2.5Co2Cu3O12, an intergrowth of the "112" and "123" structures
_cod_database_code 1001601
_database_code_amcsd 0013812
3.8935 3.8935 19.08499 90 90 90 P4/mmm
atom  x  y     z  occ
Eu1  .5 .5 .1996
Ba1  .5 .5     0
Eu2  .5 .5 .3892  .25
Ba2  .5 .5 .3892  .75
Cu1   0  0    .5 .333
Co1   0  0    .5 .667
Cu2   0  0 .2934
Cu3   0  0 .1077 .333
Co2   0  0 .1077 .667
O1    0  0     0
O2   .5  0  .122
O3   .5  0  .277
O4    0  0  .407
O5   .5  0    .5   .5
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Mn4 O13 Sr5
 
Caignaert V, Domenges B, Raveau B
 
Journal of Solid State Chemistry 120 (1995) 279-289
Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10,
closely related to the perovskite structure
_cod_database_code 1001714
_database_code_amcsd 0013879
8.7949 8.7949 3.7848 90 90 90 P4/m
atom     x     y  z occ
Sr1      0     0  0
Sr2  .1783 .3886  0
Mn1  .3009 .0983 .5
O1   .3156 .1284  0
O2      .5     0 .5
O3   .1078 .2032 .5
C1      .5    .5 .5
O4    .430  .390 .5 .75
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Fe2 Hg0.3 O9 Pr0.57 Sr4
 
Boullay P, Domenges B, Groult D, Raveau B
 
Journal of Solid State Chemistry 124 (1996) 1-7
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9
_cod_database_code 1001740
_database_code_amcsd 0013892
3.8174 3.8138 30.33899 90 90 90 Immm
atom   x  y     z occ
Hg1    0  0     0 .30
Pr1    0  0     0 .57
Sr1   .5 .5 .0839
Sr2   .5 .5 .2054
Fe1    0  0 .1476
O1   .19  0    .5  .5
O2     0  0  .071
O3    .5  0 .1412
O4     0 .5 .1412
O5     0  0  .214
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Bi2Sr2CaCu2O8
 
Hervieu M, Michel C, Domenges B, Laligant Y, Lebail A, Ferey G, Raveau B
 
Modern Physics Letters B2 (1988) 491-500
Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8"
_cod_database_code 1000285
_database_code_amcsd 0014652
5.4054 5.4016 30.7152 90 90 90 Amaa
atom    x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .052 .2745 .0524  .5   .054   .008   .033      0      0      0
Sr1     0   .75 .3597       .095    .01   .068      0      0      0
Cu1    .5   .75 .3033          0      0   .096      0      0      0
Ca1    .5   .25   .25       .099    .03   .158      0      0      0
O1    .75     0  .201
O2    .25    .5  .201
O3      0   .25  .385
O4     .5   .27 .0524
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Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59
 
Martin C, Provost J, Bourgault D, Domenges B, Michel C, Hervieu M, Raveau B
 
Physica C 157 (1989) 460-468
Structural peculiarities of the "1212" superconductor Tl.5Pb.5Sr2CaCu2O5
_cod_database_code 1001411
_database_code_amcsd 0015013
3.795 3.795 12.094 90 90 90 P4/mmm
atom   x   y     z occ
Tl1   .5  .5    .5 .48
Pb1   .5  .5    .5  .5
Ca1   .5  .5    .5 .02
Sr1    0   0 .2808
Ca2    0   0     0 .89
Tl2    0   0     0 .11
Cu1   .5  .5  .135
O1     0  .5  .135
O2    .5  .5  .305
O3   .08 .08    .5 .25
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Cu11 O28 Sr8 Y4
 
Domenges B, Hervieu M, Raveau B
 
Physica C 207 (1993) 65-78
Ordered substitution of "CO3" groups for CuO4 square groups in the
"123" structure. The oxycarbonate Y4Sr8Cu11CO3O25, n=4 member
of the series YnSr2nCu3n-1CO3O7n-3
_cod_database_code 1001582
_database_code_amcsd 0015043
15.311 3.851 22.371 90 90 90 Bm2m
atom     x  y      z occ
Y1    .125 .5    .74
Sr1   .125 .5 -.0935
Sr2  .3572 .5 -.0935
Cu1      0  0   .819
Cu2    .25  0   .819
Cu3     .5  0  .8265
Cu4      0  0      0
Cu5    .25  0      0
C1      .5  0      0
O1    .125  0  .8075
O2    .375  0   .827
O3       0 .5  .8115
O4     .25 .5  .8115
O5      .5 .5   .828
O6       0  0 -.0825
O7     .25  0 -.0825
O8   .5858  0      0  .5
O9   .5435  0   -.05  .5
O10      0 .5      0
O11    .25 .5      0
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Ba1.5 Cu3 La1.5 O7.02
 
Domenges B, Hervieu M, Michel C, Maignan A, Raveau B
 
Physica Status Solidi A107 (1988) 73-84
La3 Ba3 Cu6 O14+x: A Single Phase Or A Mixture?
_cod_database_code 1001376
_database_code_amcsd 0015112
3.9098 3.9098 11.7058 90 90 90 P4/mmm
atom  x  y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La1  .5 .5    .5        .15    .15   1.11      0      0      0
La2  .5 .5 .1816 .25    .76    .76   2.36      0      0      0
Ba1  .5 .5 .1816 .75    .76    .76   2.36      0      0      0
Cu1   0  0     0       2.85   2.85    .26      0      0      0
Cu2   0  0 .3452        .38    .38    .28      0      0      0
O1    0  0 .1577 .94   3.45   3.45     .0      0      0      0
O2    0 .5 .3638        .64    .65   1.26      0      0      0
O3    0 .5     0 .57  11.56   3.71   1.30      0      0      0
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Ba2 Cu3 O6 Y
 
Roth G, Renker B, Heger G, Hervieu M, Domenges B, Raveau B
 
Zeitschrift fur Physik B69 (1987) 53-59
On the structure of non-superconducting YBa2Cu3O(6+ $-epsilon)
_cod_database_code 1001421
_database_code_amcsd 0015852
3.865 3.865 11.852 90 90 90 P4/mmm
atom  x  y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1   .5 .5    .5  .0053  .0053  .0086      0      0      0
Ba1  .5 .5 .1951  .0085  .0085  .0100      0      0      0
Cu1   0  0     0  .0139  .0139  .0113      0      0      0
Cu2   0  0 .3609  .0043  .0043  .0122      0      0      0
O1   .5  0 .3793  .0040  .0078  .0140      0      0      0
O2    0  0 .1521  .0166  .0166  .0136      0      0      0
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