Rodriguez Carvajal J, Vallet Regi M, Gonzalez Calbet J
Materials Research Bulletin 24 (1989) 423-430
Perovskite Threefold Superlattices: A Structure Determination of the
A3 M3 O8 Phase
_cod_database_code 1006023
_database_code_amcsd 0014340
5.5295 11.2045 5.4379 90 90 90 Pcm2_1
atom x y z occ
Fe1 .309 0 .050
Ti1 .258 .3303 0 .5
Fe2 .258 .3303 0 .5
Ca1 .234 .5 .486
Ca2 .225 .1884 .526
O1 .398 0 .410
O2 .316 .5 -.010
O3 .169 .144 -.018
O4 -.010 .353 .227
O5 .469 .300 .281
_cod_database_code 1006024
_database_code_amcsd 0014341
5.4761 11.1506 5.3603 90 90 90 Pcm2_1
Fe1 .3147 0 .053
Mn1 .258 .3314 0 .6
Fe2 .258 .3314 0 .4
Ca1 .242 .5 .492
Ca2 .2259 .1908 .518
O1 .355 0 .425
O2 .325 .5 0
O3 .177 .147 -.023
O4 -.009 .353 .248
O5 .480 .3038 .287
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