American Mineralogist Crystal Structure Database

34 matching records for this search.

Megawite
 
Vegas A, Vallet-Regi M, Gonzalez-Calbet J M, Alario-Franco M A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=167
Acta Crystallographica B42 (1986) 167-172
The ASnO3 (A = Ca, Sr) perovskites
Locality: synthetic
_database_code_amcsd 0018625
5.532 5.681 7.906 90 90 90 Pbnm
atom      x     y     z  Uiso
Ca   -.0131 .0509   .25 .0075
Sn        0    .5     0 .0035
O1    .0994 .4615   .25 .0070
O2    .6992 .2981 .0514 .0070
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SrSnO3
 
Vegas A, Vallet-Regi M, Gonzalez-Calbet J M, Alario-Franco M A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=167
Acta Crystallographica B42 (1986) 167-172
The ASnO3 (A = Ca, Sr) perovskites
Locality: synthetic
_database_code_amcsd 0018626
5.707 5.707 8.064 90 90 90 Pbnm
atom      x     y     z
Sr   -.0009 .0124   .25
Sn        0    .5     0
O1    .0736 .4896   .25
O2    .7132 .2853 .0368
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Al0.58 Ba1.47 Ca0.53 Cu2.42 La O6.68
 
Amador U, Senaris M, Moran E, Alario-Franco M, Vegas A, Martinez-Ripoll M, Ibanez J
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 611-624
(CaBaLa)3(Cu3-yMy)O7-x (M=Al, Pt) single crystals
_cod_database_code 1008554
_database_code_amcsd 0016445
3.8970 3.8970 11.573 90 90 90 P4/mmm
atom  x  y    z  occ
Cu1   0  0    0  .42
Al1   0  0    0  .58
Cu2   0  0 .353
Ca1  .5 .5   .5  .53
La1  .5 .5   .5  .47
Ba1  .5 .5 .191 .735
La2  .5 .5 .191 .265
O1    0  0 .154  .99
O2    0 .5 .362
O3    0 .5    0 .348
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Ba Ca0.49 Cu2.8 La1.51 O6.48 Pt0.2
 
Amador U, Senaris M, Moran E, Alario-Franco M, Vegas A, Martinez-Ripoll M, Ibanez J
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 611-624
(CaBaLa)3(Cu3-yMy)O7-x (M=Al, Pt) single crystals
_cod_database_code 1008555
_database_code_amcsd 0016446
3.891 3.891 11.675 90 90 90 P4/mmm
atom  x  y    z  occ
Cu1   0  0    0   .9
Pt1   0  0    0   .1
Cu2   0  0  .35  .95
Pt2   0  0  .35  .05
Ca1  .5 .5   .5  .25
La1  .5 .5   .5  .75
Ba1  .5 .5 .184   .5
La2  .5 .5 .184  .38
Ca2  .5 .5 .184  .12
O1    0  0 .163  .89
O2    0 .5 .365
O3    0 .5    0 .348
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Ba2 Cu3 O7 Pr
 
Moran E, Amador U, Barahona M, Alario-Franco M, Vegas A, Rodriguez-Carvajal J
 
Physica C 153 (1988) 423-424
Ba2 (Pr^4+^).3 (Pr^3+^).7 (Cu^3+^).7 (Cu^2+^)2.3 O7:
Crystal growth, structure and magnetic properties.
_cod_database_code 1006001
_database_code_amcsd 0015009
3.8918 3.8918 11.6484 90 90 90 P4/mmm
atom  x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .5 .5 .1849      .0105  .0105  .0232      0      0      0
Pr1  .5 .5    .5      .0042  .0042  .0088      0      0      0
Cu1   0  0     0      .0408  .0408  .0038      0      0      0
Cu2   0  0 .3501      .0018  .0018  .0088      0      0      0
O1    0  0  .156      .1258  .1258  .0102      0      0      0
O2    0 .5 .3676      .0064  .0049  .0155      0      0      0
O3    0 .5     0  .5  .2514  .2514  .0076      0      0      0
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Cu2.2 Ni0.8 O8 Pb2 Sr2 Y
 
Amador U, Garcia-Alvarado F, Moran E, Alario-Franco M, Rodriguez-Carjaval J
 
Physica C 165 (1990) 499-504
A structural study of Ni-substituted Pb2Sr2YCu3O8+ - delta
_cod_database_code 1006032
_database_code_amcsd 0015016
5.3956 5.4310 15.6573 90 90 90 Cmmm
atom    x    y     z occ
Pb1    .5    0 .3881
Sr1     0    0 .2199
Y1      0    0     0
Cu1     0    0    .5
Cu2    .5    0 .1072  .6
Ni1    .5    0 .1072  .4
O1     .5    0 .2489
O2   .050 .064 .3816 .25
O3    .25  .25 .0924
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Cu2.2 Ni0.8 O8 Pb2 Sr2 Y
 
Amador U, Garcia-Alvarado F, Moran E, Alario-Franco M, Rodriguez-Carjaval J
 
Physica C 165 (1990) 499-504
A structural study of Ni-substituted Pb2Sr2YCu3O8+$-delta
_cod_database_code 1006033
_database_code_amcsd 0015017
5.4035 5.4386 15.6965 90 90 90 Cmmm
atom    x    y     z occ
Pb1    .5    0 .3868
Sr1     0    0 .2193
Y1      0    0     0
Cu1     0    0    .5
Cu2    .5    0 .1092  .6
Ni1    .5    0 .1092  .4
O1     .5    0 .2504
O2   .047 .071 .3846 .25
O3    .25  .25 .0937
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Ca0.03 Cu La1.97 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006173
_database_code_amcsd 0015082
5.3513 5.3907 13.1603 90 90 90 Bmab
atom   x      y      z   occ
La1    0  .0049 .36131  .985
Ca1    0  .0049 .36131  .015
Cu1    0      0      0
O1   .25    .25  .0071  .995
O2     0 -.0319  .1833 1.005
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Ca0.05 Cu La1.95 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006174
_database_code_amcsd 0015083
5.3490 5.3822 13.1638 90 90 90 Bmab
atom   x      y      z   occ
La1    0  .0053 .36108  .975
Ca1    0  .0053 .36108  .025
Cu1    0      0      0
O1   .25    .25  .0062 1.005
O2     0 -.0294  .1832 1.010
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Ca0.08 Cu La1.92 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006175
_database_code_amcsd 0015084
5.3456 5.3673 13.1698 90 90 90 Bmab
atom   x      y      z  occ
La1    0  .0041 .36084  .96
Ca1    0  .0041 .36084  .04
Cu1    0      0      0
O1   .25    .25  .0057 .995
O2     0 -.0240  .1831
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Ca0.1 Cu La1.9 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006176
_database_code_amcsd 0015085
5.3440 5.3580 13.1752 90 90 90 Bmab
atom   x      y      z occ
La1    0  .0028 .36067 .95
Ca1    0  .0028 .36067 .05
Cu1    0      0      0
O1   .25    .25  .0051
O2     0 -.0192  .1828
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Ca0.12 Cu La1.88 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006177
_database_code_amcsd 0015086
5.3491 5.3491 13.1846 90 90 90 F4/mmm
atom   x   y      z  occ
La1    0   0 .36035  .94
Ca1    0   0 .36035  .06
Cu1    0   0      0
O1   .25 .25      0 .990
O2     0   0  .1824
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Ca0.03 Cu La1.97 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006178
_database_code_amcsd 0015087
5.3336 5.4000 13.1256 90 90 90 Bmab
atom   x      y     z  occ
La1    0  .0062 .3617 .985
Ca1    0  .0062 .3617 .015
Cu1    0      0     0
O1   .25    .25 .0075 1.01
O2     0 -.0368 .1827 .995
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Ca0.05 Cu La1.95 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006179
_database_code_amcsd 0015088
5.3291 5.3946 13.1282 90 90 90 Bmab
atom   x      y     z  occ
La1    0  .0064 .3614 .975
Ca1    0  .0064 .3614 .025
Cu1    0      0     0
O1   .25    .25 .0070 1.01
O2     0 -.0368 .1828
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Ca0.08 Cu La1.92 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006180
_database_code_amcsd 0015089
5.3271 5.3793 13.1327 90 90 90 Bmab
atom   x      y     z  occ
La1    0  .0049 .3613  .96
Ca1    0  .0049 .3613  .04
Cu1    0      0     0
O1   .25    .25 .0069 1.01
O2     0 -.0325 .1824 .995
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Ca0.1 Cu La1.9 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006181
_database_code_amcsd 0015090
5.3239 5.3709 13.1446 90 90 90 Bmab
atom   x      y     z   occ
La1    0  .0062 .3612   .95
Ca1    0  .0062 .3612   .05
Cu1    0      0     0
O1   .25    .25 .0070 1.010
O2     0 -.0293 .1821  .995
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Ca0.12 Cu La1.88 O4
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006182
_database_code_amcsd 0015091
5.3304 5.3663 13.1464 90 90 90 Bmab
atom   x      y     z   occ
La1    0  .0036 .3611   .94
Ca1    0  .0036 .3611   .06
Cu1    0      0     0
O1   .25    .25 .0063 1.010
O2     0 -.0276 .1821  .995
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Ca0.03 Cu La1.97 O4.091
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006183
_database_code_amcsd 0015092
5.3510 5.3801 13.1940 90 90 90 Bmab
atom    x      y     z   occ
La1     0  .0020 .3602  .985
Ca1     0  .0020 .3602  .015
Cu1     0      0     0
O1    .25    .25 .0050
O2      0 -.0226 .1825  .863
O3   .029   .097  .181 .0685
O4    .25    .25  .227 .0455
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Ca0.05 Cu La1.95 O4.09
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006184
_database_code_amcsd 0015093
5.3514 5.3730 13.1945 90 90 90 Bmab
atom    x      y     z   occ
La1     0  .0015 .3601  .975
Ca1     0  .0015 .3601  .025
Cu1     0      0     0
O1    .25    .25 .0044  1.01
O2      0 -.0218 .1825 .8945
O3   .018   .098  .182 .0527
O4    .25    .25  .244  .035
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Ca0.08 Cu La1.92 O4.079
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006185
_database_code_amcsd 0015094
5.3508 5.3640 13.1925 90 90 90 Bmab
atom    x      y     z   occ
La1     0  .0018 .3601   .96
Ca1     0  .0018 .3601   .04
Cu1     0      0     0
O1    .25    .25 .0031 1.005
O2      0 -.0216 .1824  .896
O3   .029   .094  .183  .052
O4    .25    .25  .231 .0345
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Ca0.1 Cu La1.9 O4.058
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006186
_database_code_amcsd 0015095
5.3474 5.3581 13.1870 90 90 90 Bmab
atom    x      y     z   occ
La1     0  .0018 .3602   .95
Ca1     0  .0018 .3602   .05
Cu1     0      0     0
O1    .25    .25 .0037
O2      0 -.0217 .1824  .913
O3   .039   .086  .184 .0435
O4    .25    .25  .243  .029
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Ca0.12 Cu La1.88 O4.058
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006187
_database_code_amcsd 0015096
5.34975 5.34975 13.1874 90 90 90 F4/mmm
atom    x    y     z   occ
La1     0    0 .3604   .94
Ca1     0    0 .3604   .06
Cu1     0    0     0
O1    .25  .25     0
O2      0    0 .1821  .885
O3   .064 .064  .184 .0287
O4    .25  .25  .238 .0145
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Ca0.03 Cu La1.97 O4.12
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006188
_database_code_amcsd 0015097
5.3299 5.3870 13.1614 90 90 90 Bmab
atom    x      y     z   occ
La1     0 -.0007 .3609  .985
Ca1     0 -.0007 .3609  .015
Cu1     0      0     0
O1    .25    .25 .0050  1.01
O2      0  -.028 .1824  .845
O3   .058   .071  .183 .0775
O4    .25    .25  .225  .050
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Ca0.05 Cu La1.95 O4.1
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006189
_database_code_amcsd 0015098
5.3310 5.3826 13.1623 90 90 90 Bmab
atom    x     y     z  occ
La1     0 .0007 .3608 .975
Ca1     0 .0007 .3608 .025
Cu1     0     0     0
O1    .25   .25 .0049 1.01
O2      0 -.025 .1821 .880
O3   .055  .088  .182 .060
O4    .25   .25  .234 .040
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Ca0.08 Cu La1.92 O4.07
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006190
_database_code_amcsd 0015099
5.3360 5.3671 13.1638 90 90 90 Bmab
atom    x     y     z  occ
La1     0 .0003 .3607  .96
Ca1     0 .0003 .3607  .04
Cu1     0     0     0
O1    .25   .25 .0045
O2      0 -.022 .1823 .900
O3   .032  .111  .183 .050
O4    .25   .25  .234 .035
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Ca0.1 Cu La1.9 O4.05
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006191
_database_code_amcsd 0015100
5.3311 5.3653 13.1570 90 90 90 Bmab
atom    x      y     z  occ
La1     0  .0039 .3608  .95
Ca1     0  .0039 .3608  .05
Cu1     0      0     0
O1    .25    .25 .0056
O2      0 -.0265 .1823 .920
O3   .042   .087  .185 .040
O4    .25    .25  .219 .025
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Ca0.12 Cu La1.88 O4.05
 
Rial C, Moran E, Alario-Franco M, Amador U, Martinez J, Rodriguez-Carvajal J, Andersen N
 
Physica C 297 (1998) 277-293
Effects of extra oxygen on the structure and superconductivity of
La2-xCaxCuO4+y prepared by chemical oxidation
_cod_database_code 1006192
_database_code_amcsd 0015101
5.3313 5.3666 13.1531 90 90 90 Bmab
atom    x      y     z  occ
La1     0  .0024 .3608  .94
Ca1     0  .0024 .3608  .06
Cu1     0      0     0
O1    .25    .25 .0052
O2      0 -.0271 .1823 .920
O3   .039   .085  .184 .040
O4    .25    .25  .243 .025
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Guyanaite
Download hom/guyanaite.pdf
Pernet M, Berthet-Colominas C, Alario-Franco M, Christensen A
 
Physica Status Solidi A43 (1977) 81-88
Etude par diffraction neutronique de l'oxyhydroxyde de chrome beta-CrO OH
_cod_database_code 1008756
_database_code_amcsd 0016633
4.858 4.292 2.955 90 90 90 P2_1nm
atom    x    y z
Cr1     0 .262 0
O1   .345 .509 0
O2   .636 .015 0
H1   .473 .215 0
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Guyanaite
Download hom/guyanaite.pdf
Pernet M, Berthet-Colominas C, Alario-Franco M, Christensen A
 
Physica Status Solidi A43 (1977) 81-88
Etude par diffraction neutronique de l'oxyhydroxyde de chrome beta-CrO OH
_cod_database_code 1008763
_database_code_amcsd 0016640
4.858 4.292 2.955 90 90 90 P2_1nm
atom    x    y z
Cr1     0 .262 0
O1   .345 .509 0
O2   .636 .015 0
H1   .473 .215 0
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Ba2 Cu3 O7.1 Pr
 
Moran E, Amador U, Barahona M, Alario-Franco M, Vegas A, Rodriguez-Carvajal J
 
Solid State Communications 67 (1988) 369-372
Ba2 Pr Cu3 O7: Crystal growth, structure and magnetic properties
_cod_database_code 1006007
_database_code_amcsd 0015458
3.8918 3.8918 11.6484 90 90 90 P4/mmm
atom  x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .5 .5 .1849      .0104  .0104  .0217      0      0      0
Pr1  .5 .5    .5      .0038  .0038  .0077      0      0      0
Cu1   0  0     0      .0414  .0414  .0007      0      0      0
Cu2   0  0 .3502      .0024  .0024  .0074      0      0      0
O1    0  0  .158       .140   .140  .0018      0      0      0
O2    0 .5  .368      .0052  .0008  .0163      0      0      0
O3    0 .5     0 .55   .129   .029   .041      0      0      0
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Ba2 Cu3 O6.9 Pr
 
Moran E, Amador U, Barahona M, Alario-Franco M, Vegas A, Rodriguez-Carvajal J
 
Solid State Communications 67 (1988) 369-372
Ba2 Pr Cu3 O7: Crystal growth, structure and magnetic properties
_cod_database_code 1006008
_database_code_amcsd 0015459
3.8918 3.8918 11.6484 90 90 90 P4/mmm
atom  x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .5 .5 .1849      .0105  .0105  .0232      0      0      0
Pr1  .5 .5    .5      .0042  .0042  .0088      0      0      0
Cu1   0  0     0      .0408  .0408  .0038      0      0      0
Cu2   0  0 .3501      .0018  .0018  .0088      0      0      0
O1    0  0  .156      .1258  .1258  .0102      0      0      0
O2    0 .5 .3676      .0064  .0049  .0155      0      0      0
O3    0 .5     0 .45   .252   .218  .0076      0      0      0
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Ba2 Cu3 O6.9 Pr
 
Amador U, Moran E, Alario-Franco M, Ibanez J, Martin J, Rey T
 
Solid State Ionics 63 (1993) 858-865
On the oxidation-reduction of Ba2PrCu3Oy single crystals
_cod_database_code 1008638
_database_code_amcsd 0016527
3.8984 3.8984 11.613 90 90 90 P4/mmm
atom  x  y     z occ
Cu1   0  0     0
Cu2   0  0 .3512
Pr1  .5 .5    .5
Ba1   0  0 .1797
O1    0  0  .160
O2    0 .5  .371
O3    0 .5     0 .45
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Ba2 Cu3 O6.98 Pr
 
Amador U, Moran E, Alario-Franco M, Ibanez J, Martin J, Rey T
 
Solid State Ionics 63 (1993) 858-865
On the oxidation-reduction of Ba2PrCu3Oy single crystals
_cod_database_code 1008639
_database_code_amcsd 0016528
3.8918 3.8918 11.6484 90 90 90 P4/mmm
atom  x  y     z  occ
Cu1   0  0     0
Cu2   0  0 .3501
Pr1  .5 .5    .5
Ba1   0  0 .1849
O1    0  0  .156
O2    0 .5 .3676
O3    0 .5     0 .492
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Ba2 Cu3 O7.5 Pr
 
Amador U, Moran E, Alario-Franco M, Ibanez J, Martin J, Rey T
 
Solid State Ionics 63 (1993) 858-865
On the oxidation-reduction of Ba2PrCu3Oy single crystals
_cod_database_code 1008640
_database_code_amcsd 0016529
3.9048 3.9048 11.648 90 90 90 P4/mmm
atom  x  y    z occ
Cu1   0  0    0
Cu2   0  0 .343
Pr1  .5 .5   .5
Ba1   0  0 .172
O1    0  0 .141
O2    0 .5 .382
O3    0 .5    0 .75
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Total number of retrieved datasets: 34
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