American Mineralogist Crystal Structure Database

3 matching records for this search.

Ludwigite
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Brovkin A A, Rozhdestvenskaya I V, Rykova E A
 
Crystallography Reports 47 (2002) 412-414
Cation distribution in the structure of titanium-containing ludwigite
Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site
Note: Uiso values have been divided by 100
Locality: Tazheran massif
_database_code_amcsd 0018467
9.260 12.294 3.0236 90 90 90 Pbam
atom        x      y  z  occ   Uiso
MgM1        0      0 .5       .0062
MgM2    .0012 .28057 .5       .0057
Fe2+M3     .5      0  0 .324  .0041
MgM3       .5      0  0 .676  .0041
Fe3+M4 .23823 .11540  0  .47 .00676
Ti4+M4 .23823 .11540  0  .21 .00676
MgM4   .23823 .11540  0  .15 .00676
AlM4   .23823 .11540  0  .10 .00676
Fe2+M4 .23823 .11540  0  .07 .00676
B       .2746  .3602  0       .0059
O1      .3499  .4571  0       .0065
O2      .1095  .1429 .5       .0084
O3      .1244  .3581  0       .0072
O4      .3838  .0762 .5       .0095
O5      .3497  .2624  0       .0069
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Pertsevite-(F)
 
Brovkin A A, Nikishova L V
 
Soviet Physics Crystallography 20 (1975) 452-455
The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3)
Locality: synthetic
_database_code_amcsd 0015570
20.44 4.530 11.80 90 90 90 Pna2_1
atom     x    y     z occ Biso
Mg1  .0149 .504 .0235       .5
Mg2  .4859 .974 .2699       .6
Mg3  .2453 .468 .2591       .3
Mg4  .2542 .956 .0319       .3
Mg5  .1276 .974 .1657       .6
Mg6  .1157 .482 .3989       .6
Mg7  .3812 .486 .1201       .5
Mg8  .3780 .472  .393       .2
B1    .344 .924  .233       .3
B2    .183 .927  .394       .3
B3    .157 .445  .061       .1
B4    .023 .032  .428       .2
B5    .024  .07  .193 .56   .3
O1   .0389 .743  .156 .56   .5
F1   .0389 .743  .156 .44   .5
O2   .0295 .747  .395       .6
O3   .1015 .280  .027       .9
O4   .0665 .200  .492       .5
O5   .1665 .732  .030       .3
O6   .1703 .782  .494       .2
O7   .1986 .289  .125       .4
O8   .2002 .215  .390       .1
O9   .3006 .773  .161       .2
O10  .4663 .269  .142 .56   .4
F10  .4663 .269  .142 .44   .4
O11  .4669 .303  .391       .2
O12  .1704 .758  .297       .5
O13  .3366 .222  .253       .3
O14  .0722 .254  .263 .56   .8
F14  .0722 .254  .263 .44   .8
O15  .3989 .788  .265       .1
F    .2889 .644  .395       .3
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Strontioborite
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Brovkin A A, Zayakina N V, Brovkina V S
 
Soviet Physics Crystallography 20 (1975) 563-566
Crystal structure of strontioborite Sr[B8O11(OH)4]
_database_code_amcsd 0015571
9.909 8.13 7.623 90 108.4 90 P2_1
atom     x     y     z Biso
Sr   .2804 .1000 .1149  .31
B1    .478  .606  .385   .9
B2    .018  .437  .024   .4
B3    .281  .484  .111   .4
B4    .484  .436  .014   .2
B5    .643  .196  .094  1.1
B6    .910  .188  .104   .1
B7    .723  .604  .390   .2
B8    .861  .197  .411   .2
O1    .759  .123  .027   .3
O2    .532  .093  .084  1.0
O3    .600  .347  .009   .6
O4    .005  .096  .043   .7
O5    .335  .580  .293  1.0
OH6   .212  .077  .424  1.1
O7    .160  .395  .118   .3
O8    .580  .615  .314   .5
OH9   .489  .149  .424   .9
O10   .384  .375  .077   .5
O11   .715  .214  .309   .6
O12   .949  .196  .303   .5
OH13  .085  .675  .411  2.3
OH14  .796  .568  .259  1.9
O15   .907  .358  .031   .4
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Total number of retrieved datasets: 3
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