American Mineralogist Crystal Structure Database

7 matching records for this search.

Colquiriite
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Bolotina N B, Maksimov B A, Simonov V I, Derzhavin S I, Uvarova T V, Apollonov V V
 
Crystallography Reports 38 (1993) 446-450
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
Locality: synthetic
_database_code_amcsd 0012340
5.007 5.007 9.642 90 90 120 P-31c
atom     x     y     z  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0     0     0  .612  .0089  .0089  .0013  .0045      0      0
Li     1/3   2/3   .25 1.330  .0143  .0143  .0049  .0072      0      0
Al     2/3   1/3   .25  .517  .0066  .0066  .0015  .0033      0      0
F    .3769 .0311 .1434  .926  .0117  .0100  .0026  .0040 -.0023 -.0007
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Colquiriite
Download hom/colquiriite.pdf
Bolotina N B, Maksimov B A, Simonov V I, Derzhavin S I, Uvarova T V, Apollonov V V
 
Crystallography Reports 38 (1993) 446-450
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
Locality: synthetic
Sample: LiCaAlF6:Cr3+
_database_code_amcsd 0012341
5.008 5.008 9.642 90 90 120 P-31c
atom     x     y     z  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0     0     0  .634  .0095  .0095  .0013  .0048      0      0
Li     1/3   2/3   .25 1.359  .0154  .0154  .0047  .0077      0      0
Al     2/3   1/3   .25  .513  .0068  .0068  .0014  .0034      0      0
F    .3768 .0310 .1434  .935  .0123  .0105  .0026  .0043 -.0023 -.0007
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Lazurite
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Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A,
Chapuis G
 
Crystallography Reports 47 (2002) 404-407
Average structure of cubic lazurite with a three-dimensional incommensurate
modulation
Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia
_database_code_amcsd 0012380
9.077 9.077 9.077 90 90 90 P23
atom     x     y     z  occ Biso
Na1  .2585 .2585 .2585  .44  4.4
Na2  .2019 .2019 .2019  .24  3.1
Na3  .3253 .3253 .3253  .32  5.7
Na4  .6872 .6872 .6872  .37  6.6
NaM  .7547 .7547 .7547 .216  5.1
CaM  .7547 .7547 .7547 .144  5.1
Ca   .8150 .8150 .8150  .27  5.0
Si1     .5 .2499     0   .5  3.2
Al1     .5 .2499     0   .5  3.2
Si2     .5     0 .2499   .5  3.6
Al2     .5     0 .2499   .5  3.6
S1       0     0     0  .51  9.3
S2      .5    .5    .5  .37  8.1
OS1  .8996 .8996 .8996  .51 11.4
OS2  .3930 .3930 .3930  .37 10.4
S3   .1522    .5    .5 .056 19.3
Cl3  .1522    .5    .5 .004 19.3
S4   .2589     0     0 .066  8.7
Cl4  .2589     0     0 .004  8.7
S5   .2683    .5    .5 .026 10.3
Cl5  .2683    .5    .5 .004 10.3
S6   .1471     0     0 .046 11.6
Cl6  .1471     0     0 .004 11.6
O1   .3509 .3512 .0163       7.8
O2'  .1466 .1464 .5355  .68  4.3
O2"  .1508 .1521 .4502  .32  3.2
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Fukalite dimorph
 
Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V
 
Doklady Earth Sciences 405A (2005) 1347-1351
Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the
Gumeshevsk Deposit the Urals
Locality: Gumeshevsk Deposit the Urals
_database_code_amcsd 0012514
3.786 10.916 23.379 90 90 90 P2_12_12_1
atom     x     y     z occ Biso
Ca1  .2519 .3742 .4562      .55
Ca2  .2566 .0553 .6907      .74
Ca3  .2493 .3082 .1932      .79
Ca4  .2471 .1241 .9545      .58
Si1  .3275 .3734 .7216 .49  .51
Si2  .1787 .3782 .5875 .52  .12
Si3  .1533 .3756 .7137 .49  .54
Si4  .3384 .3712 .5839 .48  1.3
C     .281 .1231 .0813      .29
O1    .262 .2550 .5515       .6
O2    .252 .5084 .0462       .6
O3    .248 .2284 .0523       .8
O4    .235 .0242 .0506       .9
O5    .211 .1281 .1351       .8
O6    .188 .4993 .2427   1  1.5
O7    .237 .2461 .7413      3.2
O8    .359 .3768 .6483      1.1
O9    .238  .125 .2582 .53   .9
O10   .263  .123 .3980 .46   .9
Oh1   .259 .1256 .8565       .9
Oh2   .242 .3782 .3571   1   .8
Hl    .255  .058  .849      3.0
H2    .243  .314  .342      3.0
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Jasmundite
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Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
_database_code_amcsd 0020211
10.452 10.452 8.6977 90 90 90 I4/mmm
atom      x      y      z occ Biso
Ca1       0 .24959 .30015 .94 1.70
Mg1       0 .24959 .30015 .06 1.70
Ca2       0      0      0 .88  .54
Mg2       0      0      0 .12  .54
Ca3       0     .5      0 .97  .95
Mg3       0     .5      0 .03  .95
Si   .21042 .21042      0      .61
O1    .1795  .3637      0     1.18
O2    .1447  .1447  .1507      .94
O3        0     .5    .25     1.98
S         0      0     .5     1.11
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Alinite
 
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
Note: Cr-bearing material
_database_code_amcsd 0020212
10.485 10.485 8.609 90 90 90 I4/mmm
atom     x     y     z occ Biso
Ca1      0 .2617 .2909     1.47
Ca2      0     0     0      .71
Ca3      0    .5     0  .3  .66
Mg3      0    .5     0  .7  .66
Si1  .2107 .2107     0 .75  .56
Al1  .2107 .2107     0 .25  .56
O1   .1797 .3647     0     1.48
O2   .1445 .1445 .1529      .92
O3       0    .5   .25     1.50
Cl       0     0    .5     2.34
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Alinite
 
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
Note: Cu, Ni-bearing material
_database_code_amcsd 0020213
10.461 10.461 10.583 90 90 90 I4/mmm
atom     x     y     z occ Biso
Ca1      0 .2615 .2910     1.49
Ca2      0     0     0      .71
Ca3      0    .5     0 .36  .71
Mg3      0    .5     0 .64  .71
Si1  .2107 .2107     0 .75  .57
Al1  .2107 .2107     0 .25  .57
O1   .1796 .3647     0     1.47
O2   .1443 .1443 .1537      .92
O3       0    .5   .25     1.47
Cl       0     0    .5     2.33
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Total number of retrieved datasets: 7
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