American Mineralogist Crystal Structure Database

3 matching records for this search.

B68 Fe68 Nd19
 
Bezinge A, Yvon K, Braun H, Muller J, Nissen H
 
Physical Review B36 (1987) 1406-1414
Nd1+e Fe4 B4: A composition-modulated compound with
incommensurate composite crystal structure.
_cod_database_code 1008634
_database_code_amcsd 0016523
7.1226 7.1226 66.2 90 90 90 *P4_2/n
.25 .25 .25
atom    x    y     z
Nd1   .75  .75   .04
Nd2   .75  .75 .0925
Nd3   .75  .75 .1444
Nd4   .75  .75 .1967
Nd5   .75  .75   .25
Nd6   .75  .75 .5134
Nd7   .75  .75 .5662
Nd8   .75  .75 .6184
Nd9   .75  .75 .6708
Nd10  .75  .75 .7234
Fe1  .129 .632 .0210
Fe2  .136 .884 .0505
Fe3  .137 .623 .0805
Fe4  .127 .872 .1100
Fe5  .133 .609 .1401
Fe6  .126 .863 .1686
Fe7  .142 .604 .1980
Fe8  .120 .869 .2271
Fe9  .143 .622 .2561
Fe10 .119 .872 .2859
Fe11 .137 .628 .3153
Fe12 .134 .883 .3456
Fe13 .128 .626 .3747
Fe14 .143 .888 .4042
Fe15 .113 .630 .4334
Fe16 .145 .878 .4627
Fe17 .108 .632 .4916
B1   .525 .423 .0383
B2   .554 .419 .0943
B3   .618 .334 .1489
B4   .678 .553 .2000
B5   .679 .486 .2511
B6   .594 .475 .3296
B7   .586 .417 .3901
B8   .581 .361 .4671
B9   .558 .402 .5087
B10  .607 .314 .5422
B11  .554 .422 .6266
B12  .580 .429 .6846
B13  .586 .452 .7434
B14  .578 .458 .8026
B15  .578 .451 .8603
B16  .555 .420 .9207
B17  .550 .434 .9779
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Boron
 
Zarechnaya E Y, Dubrovinsky L, Dubrovinskaia N, Filinchuk Y, Chernyshov D, Dmitriev V,
Miyajima N, El Goresy A, Braun H F, Van Smaalen S, Kantor I, Kantor A, Prakapenka V,
Hanfland M, Mikhaylushkin A S, Abrikosov I A, Simak S I
 
Physical Review Letters 102 (2009) 185501-1185501-4
Superhard semiconducting optically transparent high pressure phase of boron
Note: crystal quenched from 20 GPa, 1700 K
Locality: synthetic
_database_code_amcsd 0015285
5.0576 5.6245 6.9884 90 90 90 Pnnm
atom     x     y     z
B1   .1539 .5938 .7924
B2   .6469 .7284    .5
B3   .3362 .5076     0
B4   .8391 .7189 .8737
B5   .6690 .9823     0
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B60 Fe60 Sm17
 
Bezinge A, Braun H, Muller J, Yvon K
 
Solid State Communications 55 (1985) 131-135
Tetragonal rare earth (R) iron borides, R(1+x) Fe4 B4 (x=0.1),
with incommensurate rare earth and iron substructures
_cod_database_code 1008320
_database_code_amcsd 0016235
7.098 7.098 58.69 90 90 90 *P4_2/n
.25 .25 .25
atom     x     y     z
Sm1    .25   .25   .25
Sm2    .25   .25 .0147
Sm3    .25   .25 .0735
Sm4    .25   .25 .1323
Sm5    .25   .25 .1912
Sm6    .25   .25 .5441
Sm7    .25   .25 .6029
Sm8    .25   .25 .6618
Sm9    .25   .25 .7206
Fe1  .1206 .6307 .0253
Fe2  .1266 .8755 .0587
Fe3  .1379 .6227  .092
Fe4  .1195 .8686 .1253
Fe5  .1341 .6175 .1587
Fe6  .1171 .8654  .192
Fe7  .1332 .6183 .2253
Fe8  .1209 .8696 .2587
Fe9  .1265 .6246  .292
Fe10 .1287 .8775 .3253
Fe11 .1189 .6326 .3587
Fe12 .1355 .8837  .392
Fe13 .1152 .6369 .4253
Fe14 .1364 .8849 .4587
Fe15 .1174 .6342  .492
B1    .528  .408 .0417
B2    .528  .408  .108
B3    .528  .408  .175
B4    .528  .408  .242
B5    .528  .408  .308
B6    .528  .408  .375
B7    .528  .408  .442
B8    .528  .408  .508
B9    .528  .408  .575
B10   .528  .408  .642
B11   .528  .408  .708
B12   .528  .408  .775
B13   .528  .408  .842
B14   .528  .408  .908
B15   .528  .408  .975
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Total number of retrieved datasets: 3
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