|
Qandilite |
 |
Millard R L, Peterson R C, Hunter B K |
 |
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 |
|
Millard R L, Peterson R C, Hunter B K |
|
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 |
|
Millard R L, Peterson R C, Hunter B K |
|
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 |
|
Millard R L, Peterson R C, Hunter B K |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Qandilite |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Qandilite |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Qandilite |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Qandilite |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
|
|
| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
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 |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .5 .0103 |
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Mg .5 .5 .5 .5 .0103 |
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MgT .125 .125 .125 .0099 |
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O .2609 .2609 .2609 .0085 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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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 |
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An in situ neutron diffraction study of cation disordering in synthetic |
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qandilite Mg2TiO4 at high temperature |
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Sample: Second series, T = 375 C |
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_database_code_amcsd 0003126 |
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8.4716 8.4716 8.4716 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .4985 .0093 |
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Mg .5 .5 .5 .5015 .0093 |
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MgT .125 .125 .125 .997 .0088 |
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TiT .125 .125 .125 .003 .0088 |
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O .2610 .2610 .2610 .0078 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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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 |
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An in situ neutron diffraction study of cation disordering in synthetic |
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qandilite Mg2TiO4 at high temperature |
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Sample: Second series, T = 312 C |
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_database_code_amcsd 0003127 |
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8.4661 8.4661 8.4661 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .5 .0086 |
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Mg .5 .5 .5 .5 .0086 |
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MgT .125 .125 .125 .0082 |
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O .2609 .2609 .2609 .0072 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
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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 |
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An in situ neutron diffraction study of cation disordering in synthetic |
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qandilite Mg2TiO4 at high temperature |
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Sample: Second series, T = 250 C |
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_database_code_amcsd 0003128 |
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8.4612 8.4612 8.4612 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .5 .0075 |
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Mg .5 .5 .5 .5 .0075 |
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MgT .125 .125 .125 .0071 |
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O .2608 .2608 .2608 .0065 |
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| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
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American Mineralogist 88 (2003) 860-865 |
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An in situ neutron diffraction study of cation disordering in synthetic |
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qandilite Mg2TiO4 at high temperature |
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Sample: Second series, T = 198 C |
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_database_code_amcsd 0003129 |
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8.4569 8.4569 8.4569 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .5 .0067 |
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Mg .5 .5 .5 .5 .0067 |
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MgT .125 .125 .125 .0067 |
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O .2608 .2608 .2608 .0061 |
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| 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 |
|
O'Neill H St C, Redfern S A T, Kesson S, Short S M |
|
American Mineralogist 88 (2003) 860-865 |
|
An in situ neutron diffraction study of cation disordering in synthetic |
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qandilite Mg2TiO4 at high temperature |
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Sample: Second series, T = 168 C |
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_database_code_amcsd 0003130 |
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8.4545 8.4545 8.4545 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .5 .0062 |
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Mg .5 .5 .5 .5 .0062 |
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MgT .125 .125 .125 .0059 |
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O .2608 .2608 .2608 .0056 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Qandilite |
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Wechsler B A, Von Dreele R B |
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Acta Crystallographica B45 (1989) 542-549 |
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Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron |
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powder diffraction |
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Locality: synthetic |
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Sample: T = 973 K |
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_database_code_amcsd 0009832 |
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8.4376 8.4376 8.4376 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .125 .125 .125 .998 .0035 .0035 .0035 0 0 0 |
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TiM1 .125 .125 .125 .002 .0035 .0035 .0035 0 0 0 |
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MgM2 .5 .5 .5 .501 .0026 .0026 .0026 -.0003 -.0003 -.0003 |
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TiM2 .5 .5 .5 .499 .0026 .0026 .0026 -.0003 -.0003 -.0003 |
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O .26049 .26049 .26049 .0072 .0072 .0072 -.0018 -.0018 -.0018 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
|
Qandilite |
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Wechsler B A, Von Dreele R B |
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Acta Crystallographica B45 (1989) 542-549 |
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Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron |
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powder diffraction |
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Locality: synthetic |
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Sample: T = 773 K |
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_database_code_amcsd 0009833 |
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5.9748 5.9748 8.414 90 90 90 P4_122 |
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atom x y z occ Uiso |
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Mg .2527 .2527 .375 .0051 |
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TiM1 0 .2444 0 .085 .0032 |
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MgM1 0 .2444 0 .915 .0032 |
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TiM2 .5 .2402 0 .915 .0032 |
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MgM2 .5 .2402 0 .085 .0032 |
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O1 -.0261 .7377 .2522 .0050 |
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O2 .5182 .2605 .2330 .0062 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Qandilite |
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Barth T, Posnjak E |
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Zeitschrift fur Kristallographie 82 (1932) 325-341 |
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Spinel structures: with and without variate atom equipoints |
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_cod_database_code 1011276 |
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_database_code_amcsd 0018128 |
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8.41 8.41 8.41 90 90 90 Fd3m |
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atom x y z occ |
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Mg1 0 0 0 |
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Mg2 .625 .625 .625 .5 |
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Ti1 .625 .625 .625 .5 |
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O1 .390 .390 .390 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
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