American Mineralogist Crystal Structure Database

58 matching records for this search.

Qandilite
Download hom/qandilite.pdf
Millard R L, Peterson R C, Hunter B K
Download am/vol80/AM80_885.pdf
American Mineralogist 80 (1995) 885-896
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
17O MAS NMR and Rietveld refinement of X-ray diffraction data
Sample: RLM445, 1405 C, Mg2TiO4
_database_code_amcsd 0001746
8.44183 8.44183 8.44183 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Ti    .125  .125  .125 .036  .53
Mg    .125  .125  .125 .964  .53
Ti      .5    .5    .5 .482  .41
Mg      .5    .5    .5 .518  .41
O    .2616 .2616 .2616       .62
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
Millard R L, Peterson R C, Hunter B K
Download am/vol80/AM80_885.pdf
American Mineralogist 80 (1995) 885-896
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
17O MAS NMR and Rietveld refinement of X-ray diffraction data
Sample: RLM509, 1210 C, Mg2TiO4
_database_code_amcsd 0001747
8.46948 8.46948 8.46948 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Ti    .125  .125  .125 .002  .21
Mg    .125  .125  .125 .998  .21
Ti      .5    .5    .5 .499  .31
Mg      .5    .5    .5 .501  .31
O    .2606 .2606 .2606       .92
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
Millard R L, Peterson R C, Hunter B K
Download am/vol80/AM80_885.pdf
American Mineralogist 80 (1995) 885-896
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
17O MAS NMR and Rietveld refinement of X-ray diffraction data
Sample: RLM446, Mg2TiO4
_database_code_amcsd 0001750
5.97705 5.97705 8.4161 90 90 90 P4_122
atom      x     y     z  occ Biso
Mg    .2518 .2518  .375       .34
Ti1       0 .2502     0 .074  .32
Mg1       0 .2502     0 .926  .32
Ti2      .5 .2391     0 .926  .34
Mg2      .5 .2391     0 .074  .34
O1   -.0264 .7368 .2526       .29
O2    .5188 .2610 .2329       .31
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
Millard R L, Peterson R C, Hunter B K
Download am/vol80/AM80_885.pdf
American Mineralogist 80 (1995) 885-896
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
17O MAS NMR and Rietveld refinement of X-ray diffraction data
Sample: RLM510, Mg2TiO4
_database_code_amcsd 0001751
6.00689 6.00689 8.41547 90 90 90 P4_122
atom      x     y     z  occ Biso
Mg    .2529 .2529  .375       .19
Ti1       0 .2385     0 .087  .29
Mg1       0 .2385     0 .913  .29
Ti2      .5 .2470     0 .913  .29
Mg2      .5 .2470     0 .087  .29
O1   -.0252 .7305 .2500       .04
O2    .5131 .2638 .2307       .04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 90 C
_database_code_amcsd 0003080
8.4469 8.4469 8.4469 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4975 .0027
Mg      .5    .5    .5 .5025 .0027
MgT   .125  .125  .125  .995 .0026
TiT   .125  .125  .125  .005 .0026
O    .2610 .2610 .2610       .0049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 70 C
_database_code_amcsd 0003081
8.4456 8.4456 8.4456 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4965 .0020
Mg      .5    .5    .5 .5035 .0020
MgT   .125  .125  .125  .993 .0019
TiT   .125  .125  .125  .007 .0019
O    .2610 .2610 .2610       .0047
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 97 C
_database_code_amcsd 0003082
8.4474 8.4474 8.4474 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .497 .0022
Mg      .5    .5    .5 .503 .0022
MgT   .125  .125  .125 .994 .0021
TiT   .125  .125  .125 .006 .0021
O    .2610 .2610 .2610      .0048
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 152 C
_database_code_amcsd 0003083
8.4520 8.4520 8.4520 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .498 .0037
Mg      .5    .5    .5 .502 .0037
MgT   .125  .125  .125 .996 .0036
TiT   .125  .125  .125 .004 .0036
O    .2609 .2609 .2609      .0056
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 220 C
_database_code_amcsd 0003084
8.4578 8.4578 8.4578 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4985 .0039
Mg      .5    .5    .5 .5015 .0039
MgT   .125  .125  .125  .997 .0037
TiT   .125  .125  .125  .003 .0037
O    .2610 .2610 .2610       .0063
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 289 C
_database_code_amcsd 0003085
8.4638 8.4638 8.4638 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4995 .0050
Mg      .5    .5    .5 .5005 .0050
MgT   .125  .125  .125  .999 .0048
TiT   .125  .125  .125  .001 .0048
O    .2610 .2610 .2610       .0068
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 360 C
_database_code_amcsd 0003086
8.4698 8.4698 8.4698 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4985 .0066
Mg      .5    .5    .5 .5015 .0066
MgT   .125  .125  .125  .997 .0062
TiT   .125  .125  .125  .003 .0062
O    .2611 .2611 .2611       .0075
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 425 C
_database_code_amcsd 0003087
8.4757 8.4757 8.4757 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .499 .0069
Mg      .5    .5    .5 .501 .0069
MgT   .125  .125  .125 .998 .0066
TiT   .125  .125  .125 .002 .0066
O    .2611 .2611 .2611      .0083
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 483 C
_database_code_amcsd 0003088
8.4816 8.4816 8.4816 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4965 .0075
Mg      .5    .5    .5 .5035 .0075
MgT   .125  .125  .125  .993 .0071
TiT   .125  .125  .125  .007 .0071
O    .2611 .2611 .2611       .0091
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 559 C
_database_code_amcsd 0003089
8.4877 8.4877 8.4877 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4975 .0086
Mg      .5    .5    .5 .5025 .0086
MgT   .125  .125  .125  .995 .0082
TiT   .125  .125  .125  .005 .0082
O    .2611 .2611 .2611       .0098
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 625 C
_database_code_amcsd 0003090
8.4941 8.4941 8.4941 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .497 .0095
Mg      .5    .5    .5 .503 .0095
MgT   .125  .125  .125 .994 .0090
TiT   .125  .125  .125 .006 .0090
O    .2610 .2610 .2610      .0106
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 690 C
_database_code_amcsd 0003091
8.5008 8.5008 8.5008 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4975 .0107
Mg      .5    .5    .5 .5025 .0107
MgT   .125  .125  .125  .995 .0102
TiT   .125  .125  .125  .005 .0102
O    .2611 .2611 .2611       .0114
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 756 C
_database_code_amcsd 0003092
8.5073 8.5073 8.5073 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .497 .0115
Mg      .5    .5    .5 .503 .0115
MgT   .125  .125  .125 .994 .0110
TiT   .125  .125  .125 .006 .0110
O    .2611 .2611 .2611      .0117
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 820 C
_database_code_amcsd 0003093
8.5140 8.5140 8.5140 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .496 .0123
Mg      .5    .5    .5 .504 .0123
MgT   .125  .125  .125 .992 .0117
TiT   .125  .125  .125 .008 .0117
O    .2611 .2611 .2611      .0127
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 885 C
_database_code_amcsd 0003094
8.5208 8.5208 8.5208 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4925 .0135
Mg      .5    .5    .5 .5075 .0135
MgT   .125  .125  .125  .985 .0129
TiT   .125  .125  .125  .015 .0129
O    .2611 .2611 .2611       .0139
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 949 C
_database_code_amcsd 0003095
8.5277 8.5277 8.5277 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4945 .0154
Mg      .5    .5    .5 .5055 .0154
MgT   .125  .125  .125  .989 .0147
TiT   .125  .125  .125  .011 .0147
O    .2611 .2611 .2611       .0146
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 1020 C
_database_code_amcsd 0003096
8.5353 8.5353 8.5353 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .493 .0149
Mg      .5    .5    .5 .507 .0149
MgT   .125  .125  .125 .986 .0142
TiT   .125  .125  .125 .014 .0142
O    .2610 .2610 .2610      .0155
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: First series, T = 1054 C
_database_code_amcsd 0003097
8.5389 8.5389 8.5389 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .494 .0192
Mg      .5    .5    .5 .506 .0192
MgT   .125  .125  .125 .988 .0183
TiT   .125  .125  .125 .012 .0183
O    .2612 .2612 .2612      .0161
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 100 C
_database_code_amcsd 0003098
8.4510 8.4510 8.4510 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0063
Mg      .5    .5    .5  .5 .0063
MgT   .125  .125  .125     .0060
O    .2609 .2609 .2609     .0055
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 240 C
_database_code_amcsd 0003099
8.4561 8.4561 8.4561 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0075
Mg      .5    .5    .5  .5 .0075
MgT   .125  .125  .125     .0071
O    .2609 .2609 .2609     .0064
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 559 C
_database_code_amcsd 0003100
8.4872 8.4872 8.4872 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .499 .0119
Mg      .5    .5    .5 .501 .0119
MgT   .125  .125  .125 .998 .0114
TiT   .125  .125  .125 .002 .0114
O    .2610 .2610 .2610      .0102
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 850 C
_database_code_amcsd 0003101
8.5154 8.5154 8.5154 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .499 .0154
Mg      .5    .5    .5 .501 .0154
MgT   .125  .125  .125 .998 .0147
TiT   .125  .125  .125 .002 .0147
O    .2610 .2610 .2610      .0131
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Qandilite
Download hom/qandilite.pdf
O'Neill H St C, Redfern S A T, Kesson S, Short S M
Download am/vol88/AM88_860.pdf
American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 912 C
_database_code_amcsd 0003102
8.5224 8.5224 8.5224 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4965 .0171
Mg      .5    .5    .5 .5035 .0171
MgT   .125  .125  .125  .993 .0163
TiT   .125  .125  .125  .007 .0163
O    .2611 .2611 .2611       .0142
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 975 C
_database_code_amcsd 0003103
8.5287 8.5287 8.5287 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4955 .0172
Mg      .5    .5    .5 .5045 .0172
MgT   .125  .125  .125  .991 .0164
TiT   .125  .125  .125  .009 .0164
O    .2611 .2611 .2611       .0148
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1039 C
_database_code_amcsd 0003104
8.5367 8.5367 8.5367 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4945 .0182
Mg      .5    .5    .5 .5055 .0182
MgT   .125  .125  .125  .989 .0173
TiT   .125  .125  .125  .011 .0173
O    .2610 .2610 .2610       .0156
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1103 C
_database_code_amcsd 0003105
8.5442 8.5442 8.5442 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4925 .0190
Mg      .5    .5    .5 .5075 .0190
MgT   .125  .125  .125  .985 .0181
TiT   .125  .125  .125  .015 .0181
O    .2611 .2611 .2611       .0166
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1167 C
_database_code_amcsd 0003106
8.5519 8.5519 8.5519 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .493 .0190
Mg      .5    .5    .5 .507 .0190
MgT   .125  .125  .125 .986 .0181
TiT   .125  .125  .125 .014 .0181
O    .2611 .2611 .2611      .0166
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1232 C
_database_code_amcsd 0003107
8.5597 8.5597 8.5597 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .489 .0199
Mg      .5    .5    .5 .511 .0199
MgT   .125  .125  .125 .978 .0190
TiT   .125  .125  .125 .022 .0190
O    .2611 .2611 .2611      .0178
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1297 C
_database_code_amcsd 0003108
8.5674 8.5674 8.5674 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .490 .0219
Mg      .5    .5    .5 .510 .0219
MgT   .125  .125  .125 .980 .0208
TiT   .125  .125  .125 .020 .0208
O    .2612 .2612 .2612      .0187
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1359 C
_database_code_amcsd 0003109
8.5754 8.5754 8.5754 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4835 .0229
Mg      .5    .5    .5 .5165 .0229
MgT   .125  .125  .125  .967 .0218
TiT   .125  .125  .125  .033 .0218
O    .2610 .2610 .2610       .0200
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1403 C
_database_code_amcsd 0003110
8.5814 8.5814 8.5814 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .484 .0260
Mg      .5    .5    .5 .516 .0260
MgT   .125  .125  .125 .968 .0248
TiT   .125  .125  .125 .032 .0248
O    .2611 .2611 .2611      .0206
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1416 C
_database_code_amcsd 0003111
8.5820 8.5820 8.5820 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .480 .0258
Mg      .5    .5    .5 .520 .0258
MgT   .125  .125  .125 .960 .0246
TiT   .125  .125  .125 .040 .0246
O    .2612 .2612 .2612      .0208
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1397 C
_database_code_amcsd 0003112
8.5807 8.5807 8.5807 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .482 .0255
Mg      .5    .5    .5 .518 .0255
MgT   .125  .125  .125 .964 .0243
TiT   .125  .125  .125 .036 .0243
O    .2611 .2611 .2611      .0203
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1346 C
_database_code_amcsd 0003113
8.5735 8.5735 8.5735 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .486 .0230
Mg      .5    .5    .5 .514 .0230
MgT   .125  .125  .125 .972 .0220
TiT   .125  .125  .125 .028 .0220
O    .2610 .2610 .2610      .0191
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1283 C
_database_code_amcsd 0003114
8.5661 8.5661 8.5661 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4875 .0224
Mg      .5    .5    .5 .5125 .0224
MgT   .125  .125  .125  .975 .0213
TiT   .125  .125  .125  .025 .0213
O    .2612 .2612 .2612       .0185
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1219 C
_database_code_amcsd 0003115
8.5586 8.5586 8.5586 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ  Uiso
Ti      .5    .5    .5 .490 .0214
Mg      .5    .5    .5 .510 .0214
MgT   .125  .125  .125 .980 .0204
TiT   .125  .125  .125 .020 .0204
O    .2611 .2611 .2611      .0178
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 1081 C
_database_code_amcsd 0003116
8.5413 8.5413 8.5413 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4895 .0199
Mg      .5    .5    .5 .5105 .0199
MgT   .125  .125  .125  .979 .0190
TiT   .125  .125  .125  .021 .0190
O    .2611 .2611 .2611       .0166
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 944 C
_database_code_amcsd 0003117
8.5275 8.5275 8.5275 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4945 .0174
Mg      .5    .5    .5 .5055 .0174
MgT   .125  .125  .125  .989 .0166
TiT   .125  .125  .125  .011 .0166
O    .2610 .2610 .2610       .0146
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 882 C
_database_code_amcsd 0003118
8.5199 8.5199 8.5199 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4965 .0165
Mg      .5    .5    .5 .5035 .0165
MgT   .125  .125  .125  .993 .0157
TiT   .125  .125  .125  .007 .0157
O    .2610 .2610 .2610       .0135
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 797 C
_database_code_amcsd 0003119
8.5110 8.5110 8.5110 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4975 .0150
Mg      .5    .5    .5 .5025 .0150
MgT   .125  .125  .125  .995 .0143
TiT   .125  .125  .125  .005 .0143
O    .2610 .2610 .2610       .0127
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 756 C
_database_code_amcsd 0003120
8.5075 8.5075 8.5075 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0153
Mg      .5    .5    .5  .5 .0153
MgT   .125  .125  .125     .0146
O    .2610 .2610 .2610     .0121
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 693 C
_database_code_amcsd 0003121
8.5011 8.5011 8.5011 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0131
Mg      .5    .5    .5  .5 .0131
MgT   .125  .125  .125     .0125
O    .2610 .2610 .2610     .0111
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 630 C
_database_code_amcsd 0003122
8.4947 8.4947 8.4947 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4995 .0130
Mg      .5    .5    .5 .5005 .0130
MgT   .125  .125  .125  .999 .0123
TiT   .125  .125  .125  .001 .0123
O    .2610 .2610 .2610       .0106
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 567 C
_database_code_amcsd 0003123
8.4886 8.4886 8.4886 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4985 .0122
Mg      .5    .5    .5 .5015 .0122
MgT   .125  .125  .125  .997 .0116
TiT   .125  .125  .125  .003 .0116
O    .2610 .2610 .2610       .0100
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 503 C
_database_code_amcsd 0003124
8.4828 8.4828 8.4828 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0110
Mg      .5    .5    .5  .5 .0110
MgT   .125  .125  .125     .0105
O    .2609 .2609 .2609     .0091
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 439 C
_database_code_amcsd 0003125
8.4769 8.4769 8.4769 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0103
Mg      .5    .5    .5  .5 .0103
MgT   .125  .125  .125     .0099
O    .2609 .2609 .2609     .0085
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 375 C
_database_code_amcsd 0003126
8.4716 8.4716 8.4716 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ  Uiso
Ti      .5    .5    .5 .4985 .0093
Mg      .5    .5    .5 .5015 .0093
MgT   .125  .125  .125  .997 .0088
TiT   .125  .125  .125  .003 .0088
O    .2610 .2610 .2610       .0078
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 312 C
_database_code_amcsd 0003127
8.4661 8.4661 8.4661 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0086
Mg      .5    .5    .5  .5 .0086
MgT   .125  .125  .125     .0082
O    .2609 .2609 .2609     .0072
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 250 C
_database_code_amcsd 0003128
8.4612 8.4612 8.4612 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0075
Mg      .5    .5    .5  .5 .0075
MgT   .125  .125  .125     .0071
O    .2608 .2608 .2608     .0065
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 198 C
_database_code_amcsd 0003129
8.4569 8.4569 8.4569 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0067
Mg      .5    .5    .5  .5 .0067
MgT   .125  .125  .125     .0067
O    .2608 .2608 .2608     .0061
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Qandilite
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O'Neill H St C, Redfern S A T, Kesson S, Short S M
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American Mineralogist 88 (2003) 860-865
An in situ neutron diffraction study of cation disordering in synthetic
qandilite Mg2TiO4 at high temperature
Sample: Second series, T = 168 C
_database_code_amcsd 0003130
8.4545 8.4545 8.4545 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ  Uiso
Ti      .5    .5    .5  .5 .0062
Mg      .5    .5    .5  .5 .0062
MgT   .125  .125  .125     .0059
O    .2608 .2608 .2608     .0056
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Qandilite
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Wechsler B A, Von Dreele R B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=45&spage=542
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 0009832
8.4376 8.4376 8.4376 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1   .125   .125   .125 .998  .0035  .0035  .0035      0      0      0
TiM1   .125   .125   .125 .002  .0035  .0035  .0035      0      0      0
MgM2     .5     .5     .5 .501  .0026  .0026  .0026 -.0003 -.0003 -.0003
TiM2     .5     .5     .5 .499  .0026  .0026  .0026 -.0003 -.0003 -.0003
O    .26049 .26049 .26049       .0072  .0072  .0072 -.0018 -.0018 -.0018
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Qandilite
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Wechsler B A, Von Dreele R B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=45&spage=542
Acta Crystallographica B45 (1989) 542-549
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
powder diffraction
Locality: synthetic
Sample: T = 773 K
_database_code_amcsd 0009833
5.9748 5.9748 8.414 90 90 90 P4_122
atom      x     y     z  occ  Uiso
Mg    .2527 .2527  .375      .0051
TiM1      0 .2444     0 .085 .0032
MgM1      0 .2444     0 .915 .0032
TiM2     .5 .2402     0 .915 .0032
MgM2     .5 .2402     0 .085 .0032
O1   -.0261 .7377 .2522      .0050
O2    .5182 .2605 .2330      .0062
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Qandilite
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Barth T, Posnjak E
 
Zeitschrift fur Kristallographie 82 (1932) 325-341
Spinel structures: with and without variate atom equipoints
_cod_database_code 1011276
_database_code_amcsd 0018128
8.41 8.41 8.41 90 90 90 Fd3m
atom    x    y    z occ
Mg1     0    0    0
Mg2  .625 .625 .625  .5
Ti1  .625 .625 .625  .5
O1   .390 .390 .390
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