American Mineralogist Crystal Structure Database

16 matching records for this search.

Whitlockite
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Tsirlin A A, Dikarev E V, Shpanchenko R V, Antipov E V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=62&spage=13
Acta Crystallographica C62 (2006) i13-i15
A new whitlockite, Ca8.42Na1.16V(PO4)7
Locality: synthetic
_database_code_amcsd 0010333
10.3273 10.3273 37.098 90 90 120 R3c
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1  .47745 .94303 .366928 .936 .00863 .00882 .00833  .0090 .00449  .00078  .00014
Ca2  .20426 .82509 .499885 .936 .00806 .00893 .00759 .00776 .00422  .00085 -.00043
Ca3  .79266 .60531 .426576 .936 .00783  .0059  .0109  .0074 .00476 -.00024  .00287
Na1       0      0  .45676  .29  .0116  .0122  .0122  .0105  .0061       0       0
Na2  .79266 .60531 .426576  .29 .00783  .0059  .0109  .0074 .00476 -.00024  .00287
V       1/3    2/3 .435576      .00602 .00558 .00558  .0069 .00279       0       0
P1      2/3    1/3  .36911      .00679  .0055  .0055  .0094 .00274       0       0
P2   .48571 .47541 .465697      .00599  .0062  .0061  .0064 .00367   .0001  .00009
P3   .17400 .86029 .403712      .00643  .0060  .0063  .0072 .00322  .00003  .00021
O1      2/3    1/3  .41030       .0115  .0124  .0124  .0096  .0062       0       0
O2   .42872 .83736  .47201       .0096  .0070  .0070  .0137  .0028   .0006   .0019
O3   .51579 .47258  .42569       .0087  .0091  .0094  .0072  .0043   .0002  -.0001
O4   .27556 .99779  .38046       .0085  .0103  .0089  .0071  .0054   .0008   .0017
O5   .24821 .75839  .40139       .0103  .0086  .0071  .0162  .0048   .0001  -.0004
O6   .01562 .76711  .38913       .0120  .0066  .0143  .0128  .0033  -.0022   .0013
O7   .63333 .55003  .48613       .0120  .0091  .0147  .0106  .0048  -.0031  -.0008
O8   .52275 .32709  .35553       .0140  .0091  .0129  .0214  .0066  -.0046  -.0049
O9   .17915 .91481  .44209       .0138  .0145  .0162  .0084  .0059   .0004  -.0006
O10  .37735 .31579  .47842       .0106  .0126  .0080  .0105  .0045   .0018   .0001
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Bi2 K1.4 O7 Sr1.6
 
Pshirkov J, Kazakov S, Bougerol-Chaillout C, Bordet P, Capponi J,
Putilin S, Antipov E
 
Journal of Solid State Chemistry 144 (1999) 405-408
A new layered bismuthate (Sr,K)3 Bi2 O7: synthesis and crystal structure
_cod_database_code 1009011
_database_code_amcsd 0016873
4.1549 4.1549 21.82729 90 90 90 I4/mmm
atom x  y     z occ
Sr1  0  0    .5
Sr2  0  0 .3066  .3
K1   0  0 .3066  .7
Bi1  0  0 .0987
O1   0  0     0
O2   0 .5 .0850
O3   0  0  .193
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SrNb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018962
10.9862 7.7223 5.5944 90 90.372 90 Pnma
atom      x      y     z Biso
Sr    .0413    .25 .5404 1.41
Nb1   .1419 -.0044 .0360 1.36
O1   -.0245   .036  .227   .9
O2    .2108   .049  .365  1.3
O3    .1471    .25 -.030   .4
O4     .123   -.25  .136   .9
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Sr0.9La0.1Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018963
11.021 7.675 5.584 90 90.19 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .9 1.41
La    .0413    .25 .5404  .1 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.8La0.2Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018964
11.042 7.665 5.584 90 90 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .8 1.41
La    .0413    .25 .5404  .2 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.7La0.3Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018965
11.046 7.653 5.571 90 90 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .7 1.41
La    .0413    .25 .5404  .3 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.6La0.4Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018966
11.055 7.658 5.578 90 90 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .6 1.41
La    .0413    .25 .5404  .4 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.9Nd0.1Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018967
11.018 7.672 5.575 90 90.25 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .9 1.41
La    .0413    .25 .5404  .1 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.8Nd0.2Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018968
11.042 7.644 5.563 90 90 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .8 1.41
La    .0413    .25 .5404  .2 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Sr0.7La0.3Nb2O6
 
Istomin S Y, D'yachenko O G, Antipov E V, Svensson G, Nygren M
 
Materials Research Bulletin 29 (1994) 743-749
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Locality: Synthetic
_database_code_amcsd 0018969
11.053 7.640 5.556 90 90 90 Pnma
atom      x      y     z occ Biso
Sr    .0413    .25 .5404  .7 1.41
La    .0413    .25 .5404  .3 1.41
Nb    .1419 -.0044 .0360     1.36
O1   -.0245   .036  .227       .9
O2    .2108   .049  .365      1.3
O3    .1471    .25 -.030       .4
O4     .123   -.25  .136       .9
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Bi O3 Sr
 
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M,
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E
 
Nature (London) 390 (1997) 148-150
Discovery of a second family of bismuth-oxide-based superconductors
_cod_database_code 1008815
_database_code_amcsd 0016685
5.9480 6.0951 8.4854 90 90.063 90 P2_1/n
atom      x     y    z
Sr1  -.0152 .5455 .251
Bi1       0     0    0
Bi2       0     0   .5
O1    .4056 .4617 .241
O2     .284  .190 .546
O3     .187  .714 .556
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Bi K0.56 O3 Sr0.44
 
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M,
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E
 
Nature (London) 390 (1997) 148-150
Discovery of a second family of bismuth-oxide-based superconductors
_cod_database_code 1008816
_database_code_amcsd 0016686
5.9416 5.9416 8.4394 90 90 90 I4/mcm
atom     x     y   z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1      0    .5 .75 .44
K1       0    .5 .75 .56
Bi1      0     0   0
O1       0     0 .25       .033   .033   .009      0      0      0
O2   .2219 .7219   0       .011   .011   .060      0      0      0
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Ba2 Ca2 Cu3 Hg0.692 O8.6
 
Kopnin E, Antipov E, Capponi J, Bordet P, Chaillout C, de Brion S,
Marezio M, Bobylev A, Van Tendeloo G
 
Physica C 243 (1995) 222-232
Suppression of superconductivity in Hg-1223 and Hg-1234 by partial
replacement of Hg by carbon
_cod_database_code 1008674
_database_code_amcsd 0016560
3.86521 3.86521 15.6486 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)
Hg1   0  0    .5 .692   .029   .029  -.001      0      0      0
Ba1  .5 .5 .3276
Ca1  .5 .5 .1059
Cu1   0  0     0
Cu2   0  0 .2041
O1   .5  0     0
O2   .5  0 .1990
O3    0  0  .388
O4   .5 .5    .5  .60
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Ba2 Cu Hg0.96 O4.34
 
Alexandre E, Loureiro S, Antipov E, Bordet P, de Brion S, Capponi J, Marezio M
 
Physica C 245 (1995) 207-211
On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase
synthesized under high-pressure
_cod_database_code 1008675
_database_code_amcsd 0016561
3.86390 3.86390 9.4771 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0 .96
Ba1  .5 .5 .2946
Cu1   0  0    .5
O1    0  0  .211
O2    0 .5    .5
O3   .5 .5     0 .34
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Ba2 Cu Hg0.98 O4.34
 
Alexandre E, Loureiro S, Antipov E, Bordet P, de Brion S, Capponi J, Marezio M
 
Physica C 245 (1995) 207-211
On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase
synthesized under high-pressure
_cod_database_code 1008676
_database_code_amcsd 0016562
3.86586 3.86586 9.4764 90 90 90 P4/mmm
atom  x  y     z occ
Hg1   0  0     0 .98
Ba1  .5 .5 .2950
Cu1   0  0    .5
O1    0  0  .203
O2    0 .5    .5
O3   .5 .5     0 .34
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Ba2 Cu Hg0.88 O4.87 S0.18
 
Bordet P, Loureiro S, LeFloch S, Capponi J, Chaillout C, Chenavas J,
Tholence J, Antipov E, Radaelli P, Marezio M
 
Physica C 282 (1997) 65-68
High pressure synthesis and structure of the superconducting mercury
cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S
_cod_database_code 1008817
_database_code_amcsd 0016687
3.8986 3.8986 9.2466 90 90 90 P4/mmm
atom    x     y     z  occ
Hg1     0     0     0  .88
Ba1    .5    .5 .2927
Cu1     0     0    .5
O1      0    .5    .5
O2      0     0 .2153
O3     .5    .5     0  .15
S1      0  .139     0 .045
O4   .330  .372     0 .045
O5      0 -.095  .138 .045
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Total number of retrieved datasets: 16
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