American Mineralogist Crystal Structure Database

9 matching records for this search.

Cuproscheelite
 
Redfern S A T, Bell A M T, Henderson M B, Schofield P F
 
European Journal of Mineralogy 7 (1995) 1019-1028
Rietveld study of the structural phase transition in the
sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
Sample: Cu.7Zn.3WO4
_database_code_amcsd 0006598
4.699 5.817 4.887 91.33 92.08 83.90 P-1
atom     x     y     z occ Biso
CuM  .5002 .6694 .2444  .7 1.22
ZnM  .5002 .6694 .2444  .3 1.22
W    .0157 .1758 .2539      .43
O1    .250  .349  .418       .2
O2    .211  .878  .436       .2
O3    .737  .378  .094       .2
O4    .783  .908  .050       .2
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Sanmartinite
Download hom/sanmartinite.pdf
Redfern S A T, Bell A M T, Henderson M B, Schofield P F
 
European Journal of Mineralogy 7 (1995) 1019-1028
Rietveld study of the structural phase transition in the
sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
Sample: x=0.55
_database_code_amcsd 0006599
4.689 5.77 4.899 90.84 91.52 85.87 P-1
atom     x     y     z occ Biso
CuM  .5043 .6816 .2445 .45  .92
ZnM  .5043 .6816 .2445 .55  .92
W    .0090 .1783 .2525      .42
O1    .249  .339  .409       .2
O2    .195  .880  .440       .2
O3    .741  .371  .096       .2
O4    .784  .893  .059       .2
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Sanmartinite
Download hom/sanmartinite.pdf
Redfern S A T, Bell A M T, Henderson M B, Schofield P F
 
European Journal of Mineralogy 7 (1995) 1019-1028
Rietveld study of the structural phase transition in the
sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
Sample: x=0.85
_database_code_amcsd 0006600
4.687 5.726 4.920 90 90.85 90 P2/c
atom    x     y    z occ Biso
CuM    .5 .6858  .25 .15  .77
ZnM    .5 .6858  .25 .85  .77
W       0 .1821  .25      .52
O1   .214 .1100 .933       .2
O2   .257 .3615 .404       .2
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YCl2(H2O)6Cl
 
Bell A M T, Smith A J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=960
Acta Crystallographica C46 (1990) 960-962
Structure of hexaaquadichloroyttrium(III) chloride
_database_code_amcsd 0010136
7.8346 6.4729 9.5817 90 93.768 90 P2/n
atom      x      y     z Uiso
Y1    .2500  .1556 .2500 .017
Cl1   .2605 -.1602 .0603 .028
Cl2   .7500 -.3748 .2500 .030
O1    .1071  .2999 .4362 .029
O2    .0894  .4247 .1460 .029
O3   -.0391  .0530 .2181 .029
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Morelandite
Download hom/morelandite.pdf
Bell A M T, Henderson C M B, Wendlandt R F, Harrison W J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=64&spage=63
Acta Crystallographica E64 (2008) i63-i64
Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data
Locality: synthetic
_database_code_amcsd 0010488
10.5570 10.5570 7.73912 90 90 120 P6_3/m
atom     x     y     z Uiso
Ba1    1/3   2/3 .0061 .059
Ba2  .2445 .9874   1/4 .065
As   .4047 .3716   1/4 .059
O1    .347  .495   1/4  .13
O2    .591  .473   1/4  .08
O3    .354  .280  .068 .065
Cl       0     0     0 .070
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Sr5(AsO4)3Cl
 
Bell A M T, Henderson C M B, Wendlandt R F, Harrison W J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=65&spage=16
Acta Crystallographica E65 (2009) i16-i17
Rietveld refinement of Sr5(AsO4)3Cl from high-resolution synchrotron data
Locality: synthetic
Note: Apatite structure
_database_code_amcsd 0010490
10.1969 10.1969 7.28108 90 90 120 P6_3/m
atom      x      y    z  Uiso
Sr1     1/3    2/3 .008 .0246
Sr2   .2496  .9936  .25 .0246
As    .4057  .3718  .25  .029
O1     .337   .496  .25  .015
O2     .598   .464  .25  .015
O3     .354   .284 .063  .015
Cl        0      0    0  .031
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Emplectite
Download hom/emplectite.pdf
Razmara M F, Henderson C M B, Pattrick R A D, Bell A M T, Charnock L M
Download mm/vol61/MM61_79.pdf
Mineralogical Magazine 61 (1997) 79-88
The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
Note: synthetic
_database_code_amcsd 0014523
6.1413 3.9191 14.524 90 90 90 Pnma
atom     x   y     z Biso
Cu    .746 .75 .1721  0.9
Bi   .2318 .25 .0638  0.5
S1    .647 .25  .102  1.0
S2    .129 .75  .182  1.0
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Chalcostibite
Download hom/chalcostibite.pdf
Razmara M F, Henderson C M B, Pattrick R A D, Bell A M T, Charnock L M
Download mm/vol61/MM61_79.pdf
Mineralogical Magazine 61 (1997) 79-88
The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
Note: synthetic
_database_code_amcsd 0014524
6.0160 3.7968 14.499 90 90 90 Pnma
atom     x   y     z Biso
Cu   .7463 .75 .1721 2.20
Sb   .2245 .25 .0636  0.5
S1    .624 .25 .0960  1.0
S2    .131 .75 .1787  1.0
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Wairakite
Download hom/wairakite.pdf
Henderson C M B, Bell A M T, Kohn S C, Page C S
Download mm/vol62/MM62_165.pdf
Mineralogical Magazine 62 (1998) 165-178
Leucite-pollucite structure-type variability and the structure of a
synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O))
_database_code_amcsd 0014533
13.694 13.644 13.576 90. 90.46 90 I2/a
atom     x    y    z   occ Biso
Ca12A  .25 .127    0 .2425  2.9
Ca12B  .75 .385    0 .1975  2.9
Ca2   .011 .248 .118   .78  2.9
Al2A  .170 .416 .139        .29
Al2B  .844 .088 .119        .29
Si11A .117 .155 .419        .29
Si11B .877 .341 .407        .29
Si12A .423 .130 .153        .29
Si12B .591 .367 .164        .29
O11A  .110 .350 .231        .32
O11B  .907 .138 .217        .32
O12A  .385 .138 .462        .32
O12B  .599 .355 .477        .32
O21A  .208 .116 .352        .32
O21B  .777 .394 .374        .32
O22A  .128 .466 .397        .32
O22B  .834 .045 .362        .32
O31A  .387 .224 .084        .32
O31B  .645 .277 .112        .32
O32A  .477 .385 .141        .32
O32B  .545 .111 .170        .32
WatA  .137 .116 .134        .32
WatB  .880 .381 .112        .32
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Total number of retrieved datasets: 9
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