Armalcolite
Wechsler B A
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, before annealing
_database_code_amcsd 0000590
9.7762 10.0341 3.7504 90 90 90 Bbmm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1 .80743 .25 0 .332 .00139 .00157 .0194 0 0 0
Mg1 .80743 .25 0 .332 .00139 .00157 .0194 0 0 0
Ti1 .80743 .25 0 .335 .00139 .00157 .0194 0 0 0
Fe2 .13464 .43528 0 .084 .00128 .00174 .0170 -.00008 0 0
Mg2 .13464 .43528 0 .084 .00128 .00174 .0170 -.00008 0 0
Ti2 .13464 .43528 0 .832 .00128 .00174 .0170 -.00008 0 0
O1 .2243 .25 0 .0038 .0021 .0242 0 0 0
O2 .0464 .8846 0 .0020 .0019 .0311 -.0002 0 0
O3 .3133 .9348 0 .0024 .0030 .0157 -.0001 0 0
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Armalcolite
Wechsler B A
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, after annealing
_database_code_amcsd 0000591
9.745 10.0625 3.7422 90 90 90 Bbmm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .80614 .25 0 .456 .00170 .00160 .01160 0 0 0
Ti1 .80614 .25 0 .088 .00170 .00160 .01160 0 0 0
Fe2 .13370 .43322 0 .022 .00137 .00140 .00770 -.00004 0 0
Mg2 .13370 .43322 0 .022 .00137 .00140 .00770 -.00004 0 0
Ti2 .13370 .43322 0 .956 .00137 .00140 .00770 -.00004 0 0
O1 .2141 .25 0 .0026 .0015 .0120 0 0 0
O2 .0455 .8866 0 .0017 .0012 .0202 -.00007 0 0
O3 .3141 .9397 0 .0017 .0024 .0045 .00006 0 0
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Armalcolite
Wechsler B A
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 1100 deg C
_database_code_amcsd 0000592
9.899 10.1835 3.76422 90 90 90 Bbmm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1 .81265 .25 0 .406 .0060 .0045 .0401 0 0 0
Mg1 .81265 .25 0 .406 .0060 .0045 .0401 0 0 0
Ti1 .81265 .25 0 .188 .0060 .0045 .0401 0 0 0
Fe2 .13470 .43551 0 .047 .00517 .0056 .0281 .00002 0 0
Mg2 .13470 .43551 0 .047 .00517 .0056 .0281 .00002 0 0
Ti2 .13470 .43551 0 .906 .00517 .0056 .0281 .00002 0 0
O1 .2324 .25 0 .0078 .0055 .0578 0 0 0
O2 .0454 .8841 0 .0062 .0043 .0888 .00005 0 0
O3 .3121 .9326 0 .0082 .0079 .0377 -.0003 0 0
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Armalcolite
Wechsler B A
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, after heating
_database_code_amcsd 0000593
9.7697 10.0410 3.7473 90 90 90 Bbmm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1 .80703 .25 0 .367 .0024 .0019 .0172 0 0 0
Mg1 .80703 .25 0 .367 .0024 .0019 .0172 0 0 0
Ti1 .80703 .25 0 .266 .0024 .0019 .0172 0 0 0
Fe2 .13428 .43494 0 .066 .00221 .00160 .0104 -.00003 0 0
Mg2 .13428 .43494 0 .066 .00221 .00160 .0104 -.00003 0 0
Ti2 .13428 .43494 0 .867 .00221 .00160 .0104 -.00003 0 0
O1 .2237 .25 0 .0023 .0031 .0073 0 0 0
O2 .0454 .8841 0 .0032 .0021 .0150 .00005 0 0
O3 .3121 .9351 0 .0029 .0028 .0133 -.0009 0 0
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Armalcolite
Wechsler B A
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-C, T = 400 deg C
_database_code_amcsd 0000594
9.7655 10.0762 3.7429 90 90 90 Bbmm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1 .80806 .25 0 .5 .00279 .00260 .0310 0 0 0
Mg1 .80806 .25 0 .5 .00279 .00260 .0310 0 0 0
Ti .13394 .43374 0 .00198 .00263 .0221 -.00003 0 0
O1 .2182 .25 0 .0044 .0021 .0288 0 0 0
O2 .0458 .8862 0 .0018 .0023 .0506 .0001 0 0
O3 .3146 .9385 0 .0028 .0042 .0200 .0001 0 0
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Armalcolite
Wechsler B A, Von Dreele R B
Acta Crystallographica B45 (1989) 542-549
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
powder diffraction
Locality: synthetic
Sample: T = 973 K
_database_code_amcsd 0009835
9.7289 10.0057 3.7416 90 90 90 Bbmm
atom x y z occ Uiso
MgM1 .19521 .25 0 .787 .0058
TiM1 .19521 .25 0 .213 .0058
MgM2 .13255 .56474 0 .106 .0035
TiM2 .13255 .56474 0 .894 .0035
O1 .77696 .25 0 .0081
O2 .04606 .11407 0 .0082
O3 .31332 .06499 0 .0068
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Armalcolite
Wechsler B A, Von Dreele R B
Acta Crystallographica B45 (1989) 542-549
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
powder diffraction
Locality: synthetic
Sample: T = 1773
_database_code_amcsd 0009836
9.7492 9.9896 3.7460 90 90 90 Bbmm
atom x y z occ Uiso
MgM1 .19482 .25 0 .600 .0060
TiM1 .19482 .25 0 .400 .0060
MgM2 .13298 .56108 0 .200 .0032
TiM2 .13298 .56108 0 .800 .0032
O1 .77021 .25 0 .0112
O2 .04653 .11521 0 .0105
O3 .31235 .06803 0 .0087
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