American Mineralogist Crystal Structure Database

2 matching records for this search.

Ba6Fe45Ti17O106
 
Vanderah T A, Wong-Ng W, Toby B H, Browning V M,
Shull R D, Geyer R G, Roth R S
 
Journal of Solid State Chemistry 143 (1999) 182-197
Characterization of ternary compounds in the BaO:Fe2O3:TiO2
system: Ba6Fe45Ti17O106 and BaFe11Ti3O23
Note: data from neutron and synchrotron radiation on powder
_database_code_amcsd 0013967
19.4119 20.2777 10.0831 90 105.2734 90 C2/m
atom      x     y      z occ Biso
Ba1      .5 .2149     .0       .4
Ba2   .2388    .0  .1254       .4
Ba3      .5 .3592    -.5       .4
FeM1  .4304 .3460 -.2107 .58  .39
TiM1  .4304 .3460 -.2107 .42  .39
FeM2  .4346 .0785 -.1981 .83  .39
TiM2  .4346 .0785 -.1981 .17  .39
FeM3  .5686    .5 -.3250 .38  .39
TiM3  .5686    .5 -.3250 .62  .39
Fe4   .2785    .0 -.2007      .39
FeM5  .3220 .1374  .0059 .58  .39
TiM5  .3220 .1374  .0059 .42  .39
FeM6  .3228 .2823 -.5131 .84  .39
TiM6  .3228 .2823 -.5131 .16  .39
FeM7  .4293    .0  .0514 .77  .39
TiM7  .4293    .0  .0514 .23  .39
Fe8   .2804 .1473  .3109      .39
FeM9  .3179 .2057 -.2631 .90  .39
TiM9  .3179 .2057 -.2631 .10  .39
FeM10 .3174 .2888 -.0190 .94  .39
TiM10 .3174 .2888 -.0190 .06  .39
FeM11 .5656 .0710 -.3061 .53  .39
TiM11 .5656 .0710 -.3061 .47  .39
FeM12 .3123 .4266 -.4957 .80  .39
TiM12 .3123 .4266 -.4957 .20  .39
FeM13 .4309 .1485 -.4455 .55  .39
TiM13 .4309 .1485 -.4455 .45  .39
FeM14 .4295    .5 -.2217 .40  .39
TiM14 .4295    .5 -.2217 .60  .39
FeM15 .5692 .4224 -.0563 .60  .39
TiM15 .5692 .4224 -.0563 .40  .39
FeM16 .3201 .3659  .2358 .77  .39
TiM16 .3201 .3659  .2358 .23  .39
FeM17 .3313    .0 -.4995 .40  .39
TiM17 .3313    .0 -.4995 .60  .39
FeM18 .4356 .2272  .2854 .53  .39
TiM18 .4356 .2272  .2854 .47  .39
O1     .378 .1453  -.139      .53
O2       .5    .5     .0      .53
O3     .613    .5  -.113      .53
O4     .380    .0  -.148      .53
O5     .255 .0717  -.614      .53
O6     .373 .2833  -.152      .53
O7    .3795 .2152   .104      .53
O8     .502  .288   .246      .53
O9     .628 .3569  -.101      .53
O10    .371 .2098  -.396      .53
O11    .494 .1453  -.261      .53
O12    .505    .0  -.242      .53
O13      .5  .065     .0      .53
O14    .381  .074  -.395      .53
O15    .241    .0  -.403      .53
O16    .377    .0   .349      .53
O17    .257 .1441   .124      .53
O18    .249 .2235  -.617      .53
O19    .371 .3554  -.400      .53
O20    .376 .0699   .105      .53
O21    .502  .430  -.231      .53
O22    .367    .5  -.392      .53
O23    .237 .1473  -.362      .53
O24    .382 .1517   .355      .53
O25    .374 .2909   .341      .53
O26    .258 .2089  -.111      .53
O27      .5  .079    -.5      .53
O28    .387 .4284  -.138      .53
O29      .5  .217     .5      .53
O30      .5  .364     .0      .53
O31      .5    .5    -.5      .53
O32    .252 .0749  -.120      .53
O33    .126 .0707  -.358      .53
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BaFe11Ti3O23
 
Vanderah T A, Wong-Ng W, Toby B H, Browning V M,
Shull R D, Geyer R G, Roth R S
 
Journal of Solid State Chemistry 143 (1999) 182-197
Characterization of ternary compounds in the BaO:Fe2O3:TiO2
system: Ba6Fe45Ti17O106 and BaFe11Ti3O23
Note: data from single-crystal X-ray diffraction
_database_code_amcsd 0013968
19.561 8.6614 10.120 90 105.62 90 C2/c
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba         0 .32589    .25     .0093  .0046  .0150  .0093  .0000  .0037  .0000
FeM1  .06483  .0064 .44697 .65 .0062  .0063  .0060  .0074 -.0008  .0034 -.0005
TiM1  .06483  .0064 .44697 .35 .0062  .0063  .0060  .0074 -.0008  .0034 -.0005
FeM2 -.06677  .6368 .03491 .72 .0056  .0051  .0060  .0068  .0007  .0034 -.0003
TiM2 -.06677  .6368 .03491 .28 .0056  .0051  .0060  .0068  .0007  .0034 -.0003
FeM3 -.06724  .8182 .30542 .63 .0063  .0046  .0075  .0073 -.0006  .0025 -.0004
TiM3 -.06724  .8182 .30542 .37 .0063  .0046  .0075  .0073 -.0006  .0025 -.0004
FeM4  .31749  .0009 .22908 .91 .0051  .0044  .0053  .0062  .0002  .0022 -.0008
TiM4  .31749  .0009 .22908 .09 .0051  .0044  .0053  .0062  .0002  .0022 -.0008
FeM5  .17535  .1533 .24214 .77 .0049  .0030  .0048  .0070  .0000  .0014  .0003
TiM5  .17535  .1533 .24214 .23 .0049  .0030  .0048  .0070  .0000  .0014  .0003
FeM6  .18065  .3123 .51944 .84 .0051  .0027  .0083  .0048 -.0003  .0020 -.0010
TiM6  .18065  .3123 .51944 .16 .0051  .0027  .0083  .0048 -.0003  .0020 -.0010
Fe7   .28509  .3493  .0746     .0124  .0105  .0140  .0149  .0039  .0071  .0029
O1     .2370  .3234  .3768     .0051
O2     .1254  .1586  .3944     .0067
O3     .2453  .1553  .1242     .0059
O4    -.1307  .6705  .3424     .0062
O5    -.1257  .4902  .0961     .0058
O6    -.1160  .8234  .1043     .0046
O7     .2540  .0204  .3588     .0062
O8     .1242  .3349  .1516     .0053
O9     .0010  .1666  .5099     .0073
O10        0  .6693    .25      .008
O11        0 -.0176    .25      .007
O12        0     .5     .5      .008
O13    .1191  .0071   .649     .0068
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Total number of retrieved datasets: 2
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