American Mineralogist Crystal Structure Database

10 matching records for this search.

Chlormayenite
 
Ma C, Connolly H C, Beckett J R, Tschauner O, Rossman G R, Kampf A R, Zega T J,
Sweeney Smith S A, Schrader D L
 
American Mineralogist 96 (2011) 1199-1206
Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
Locality: Northwest Africa 1934 CV3 carbonaceous chondrite
_database_code_amcsd 0018484
11.98 11.98 11.98 90 90 90 I-43d
atom    x    y    z occ
Ca1  .615    0  .25 .77
Ca2  .555    0  .25 .34
Al1  .013 .013 .013
Al2  .875    0  .25
O1   .792 .095  .30
O2   .170 .170 .170
Cl   .375    0  .25 .37
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Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 293 K
_database_code_amcsd 0009964
11.9794 11.9794 11.9794 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1432       0     .25 .875 .0172   .032  .0082  .0111      0      0  .0010
Ca'    .1867       0     .25 .125  .019
Al1   .01880  .01880  .01880      .0091  .0091  .0091  .0091 -.0003 -.0003 -.0003
Al2     .875       0     .25      .0071   .003  .0090  .0090      0      0      0
O1    .78672  .09946  .30708      .0138  .0144  .0146  .0123  .0077  .0041  .0011
O2   -.06481 -.06481 -.06481      .0151  .0151  .0151  .0151 -.0023 -.0023 -.0023
O3      .375       0     .25 .251  .036
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Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 973 K
_database_code_amcsd 0009965
12.0308 12.0308 12.0308 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1464       0     .25 .910 .0342   .041   .035   .027      0      0  .0004
Ca'     .195       0     .25 .090  .016
Al1    .0176   .0176   .0176      .0183  .0183  .0183  .0183 -.0007 -.0007 -.0007
Al2     .875       0     .25      .0141   .005  .0187  .0187      0      0      0
O1    .78685  .10030  .30637      .0291  .0334  .0268  .0270  .0194  .0131  .0041
O2   -.06453 -.06453 -.06453      .0301  .0301  .0301  .0301 -.0102 -.0102 -.0102
O3       .25    .375       0 .181  .038
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Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 1223 K
_database_code_amcsd 0009966
12.0449 12.0449 12.0449 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1452       0     .25 .942 .0410   .054   .039   .030      0      0 -.0002
Ca'     .211       0     .25 .058  .017
Al1    .0185   .0185   .0185      .0200  .0200  .0200  .0200 -.0024 -.0024 -.0024
Al2     .875       0     .25      .0219   .018  .0241  .0241      0      0      0
O1    .78787  .10043  .30624      .0363  .0400  .0332  .0357  .0239  .0146  .0037
O2   -.06386 -.06386 -.06386      .0375  .0375  .0375  .0375 -.0109 -.0109 -.0109
O3      .375       0     .25 .116   .14
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Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 1323 K
_database_code_amcsd 0009967
12.0585 12.0585 12.0585 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1456       0     .25 .926  .047   .066   .041   .034      0      0   .000
Ca'     .212       0     .25 .074   .05
Al1    .0183   .0183   .0183      .0253  .0253  .0253  .0253 -.0035 -.0035 -.0035
Al2     .875       0     .25      .0199   .014  .0231  .0231      0      0      0
O1    .78779  .10087  .30547      .0430  .0514  .0398  .0379  .0291  .0149  .0031
O2   -.06399 -.06399 -.06399      .0428  .0428  .0428  .0428 -.0119 -.0119 -.0119
O3      .375       0     .25  .15   .28
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Chlormayenite
 
Bussem W, Eitel A
Download zk/vol95/ZK95_175.pdf
Zeitschrift fur Kristallographie 95 (1936) 175-188
Die struktur des pentacalciumtrialuminats
_database_code_amcsd 0010566
11.97 11.97 11.97 90 90 90 I-43d
atom     x     y     z
Ca    .103     0   .25
Al1   .375     0   .25
Al2  -.022 -.022 -.022
O1    .064  .064  .064
O2    .283  .097  .197
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Chlormayenite
 
Buessem W, Eitel A
Download zk/vol95/ZK95_175.pdf
Zeitschrift fur Kristallographie 95 (1936) 175-188
Die Struktur des Pentacalciumtrialuminats
_cod_database_code 1011034
_database_code_amcsd 0017939
11.95 11.95 11.95 90 90 90 I-43d
atom     x     y     z
Ca1   .103     0   .25
Al1   .375     0   .25
Al2  -.022 -.022 -.022
O1    .064  .064  .064
O2    .283  .097  .197
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Chlormayenite
 
Iwata T, Haniuda M, Fukuda K
 
Journal of Solid State Chemistry 181 (2008) 51-55
Crystal structure of Ca12Al14O32Cl2 and luminescence properties
of Ca12Al14O32Cl2:Eu2+
Locality: synthetic
_database_code_amcsd 0019192
12.0095 12.0095 12.0095 90 90 90 I-43d
atom      x      y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .13961      0    .25     .010  .0114  .0114  .0061      0      0  .0024
Al1  .01713 .01713 .01713     .007  .0069  .0069  .0069 -.0001 -.0001 -.0001
Al2    .875      0    .25     .006  .0050  .0066  .0066      0      0      0
O1   .03457 .44602 .14940     .010  .0077  .0114  .0100 -.0027 -.0033  .0001
O2   .18427 .18427 .18427     .009  .0095  .0095  .0095 -.0023 -.0023 -.0023
Cl     .375      0    .25 1/3 .023   .009   .029   .029      0      0      0
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Chlormayenite
 
Galuskin E V, Kusz J, Armbruster T, Bailau R, Galuskina I O, Ternes B, Murashko M
 
Mineralogical Magazine 76 (2012) 707-716
A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg
volcano near Mayen, Eifel district, Germany
Locality: Ettringer Bellerberg volcano near Mayen, Eifel district, Germany
_database_code_amcsd 0018992
12.0320 12.0320 12.0320 90 90 90 I-43d
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca   .137841       0     .25      .00593 .00688 .00654 .00436       0       0  .00055
Al1  .016173 .016173 .016173 .943 .00464 .00464 .00464 .00464  .00103  .00103  .00103
Fe1  .016173 .016173 .016173 .057 .00464 .00464 .00464 .00464  .00103  .00103  .00103
Al2     .875       0     .25      .00326 .00273 .00353 .00353       0       0       0
O1    .03539  .44472  .15013      .00681 .00775 .00608 .00660 -.00173 -.00347  .00075
O2    .18393  .18393  .18393 .905 .00778 .00778 .00778 .00778 -.00180 -.00180 -.00180
O2a    .2010   .2849   .1055 .094  .0074  .0090  .0023  .0108   .0012   .0002   .0023
Cl      .375       0     .25 .208 .00920  .0036  .0120  .0120       0       0       0
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Chlormayenite
 
Bartl H, Scheller T
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1970 (1970) 547-552
Zur struktur des 12CaO*7Al2O3
Locality: synthetic
_database_code_amcsd 0014739
11.989 11.989 11.989 90 90 90 I-43d
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca       0   .25 .1397       .0015  .0015  .0019  .0001      0      0
Al1  .0187 .0187 .0187       .0010  .0010  .0010  .0000  .0000  .0000
Al2  -.125     0   .25       .0006  .0007  .0007      0      0      0
O1    .151 -.037  .057       .0018  .0017  .0014  .0009  .0003  .0004
O2   -.064 -.064 -.064       .0013  .0013  .0013  .0000  .0000  .0000
O3    .337     0   .25 .083   .003   .001   .002      0      0   .001
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Total number of retrieved datasets: 10
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