American Mineralogist Crystal Structure Database

5 matching records for this search.

Sinjarite
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Leclaire A, Borel M M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1608
Acta Crystallographica B33 (1977) 1608-1610
Le dichlorure de calcium dihydrate
Locality: synthetic
_database_code_amcsd 0009590
5.893 7.469 12.070 90 90 90 Pbcn
atom      x     y     z
Ca        0 .2157   .25
Cl   -.2725 .4509 .1380
O     .2645 .2107 .1082
H1    .3990 .2909 .0988
H2    .2498 .1461 .0360
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Ghiaraite
 
Leclaire A, Borel M M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=585
Acta Crystallographica B35 (1979) 585-588
Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha
Locality: synthetic
_database_code_amcsd 0019787
6.5932 6.3673 8.5606 97.83 93.50 110.58 P-1
atom       x       y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca    .11886 -.01387 .26140 .00833 .00946 .00713  .00332  .00043 -.00038
Cl1   .29090 -.27763 .05027 .01266 .01313 .00608  .00566  .00188  .00069
Cl2  -.24963 -.23938 .41330 .01049 .01329 .00679  .00174  .00103 -.00018
O1   -.18298 -.18677 .04402 .01105 .01409  .1064  .00382  .00096 -.00139
O2   -.01529  .28903 .27183 .01607 .01302 .00819  .00682 -.00123  .00094
O3    .47923  .24134 .26680 .01368 .01644 .00748 -.00048  .00314 -.00130
O4    .24816 -.25291 .41486 .01593 .01666 .00703  .00845  .00049  .00085
H11   -.3047  -.1928  .0754
H12   -.2071  -.3242  .0171
H21    .0677   .4132  .3157
H22   -.0842   .3082  .1940
H31    .5429   .3751  .3055
H32    .5449   .3751  .1934
H41    .3803  -.2372  .4052
H42    .2391  -.2334  .5101
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K2Mo3AlP8O28
 
Leclaire A, Borel M M, Grandin A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1368
Acta Crystallographica C46 (1990) 1368-1370
K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7
_database_code_amcsd 0010163
4.8171 7.133 7.998 90.53 92.95 105.18 P-1
atom       x      y     z occ Biso
Mo1        0      0     0      .97
Mo        .5     .5    .5  .5  .65
Al        .5     .5    .5  .5  .65
K          0      0    .5      3.3
P1    -.3795  .2417 .1953      .65
P2     .0161 -.3816 .2532      .65
O1     -.190   .102  .186       .8
O2      .094  -.201  .153      1.2
O3      .368   .192  .071       .9
O4      .155   .351  .597      1.0
O5      .278   .550  .305       .9
O6      .544   .260  .375      1.0
O7     -.197   .450  .138       .7
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K0.75MoNbP3O12
 
Leclaire A, Borel M M, Grandin A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1381
Acta Crystallographica C46 (1990) 1381-1383
Non-stoichiometry in the KMo2P3O12-tunnel structure:
the oxide K0.75MoNbP3O12
_database_code_amcsd 0010168
8.8518 9.1453 12.5174 90 90 90 Pbcm
atom       x       y       z occ Biso
Mo    .24695  .02586  .10063  .5  .68
Nb    .24695  .02586  .10063  .5  .68
K    -.17042  .15917     .25 .75 5.15
P1   -.02884  .25000       0      .69
P2    .40255  .36752  .13221      .74
O1    .20537  .01597  .25000     1.21
O2    .12745 -.15602  .07173     1.62
O3    .30155  .04000 -.06273     1.45
O4    .37812  .20556  .12177     1.55
O5    .43106 -.10142  .12188     1.65
O6    .06527  .15356  .07317     1.46
O7    .35151  .41444     .25     1.04
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KMo2P3O13
 
Leclaire A, Borel M M, Grandin A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2009
Acta Crystallographica C46 (1990) 2009-2011
Structure of a molybdenum(V) phosphate Beta-KMo2P3O13
_database_code_amcsd 0010199
9.701 18.848 6.389 90 106.96 90 P2_1/c
atom      x      y      z occ Biso
Mo1  .06417 .16238 .38290     .520
Mo2  .61627 .37300 .18747     .518
P1    .2970 .59086  .2686      .64
P2    .3053 .46506  .0082      .58
P3   -.0343 .32612  .3404      .59
K1    .0521  .0034 -.0242  .5 4.50
K2    .3615  .1648  .0416  .5 4.38
O1    .2141  .2106  .4483     1.21
O2    .0605  .1522  .0685      .93
O3    .0528  .1512  .6864     1.04
O4    .5127  .0632  .4154      .83
O5   -.0708  .2474  .3228      .95
O6   -.1395  .1066  .2804     1.12
O7    .5773  .2874  .1931     1.58
O8    .6249  .3715 -.1270      .88
O9    .6171  .4000  .4936      .89
O10   .8296  .3706  .2885     1.11
O11   .4079  .4036  .0837      .96
O12   .6573  .4856  .1502      .87
O13   .3087  .5073  .2258      .89
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Total number of retrieved datasets: 5
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