|
Schreyerite |
 |
Dobelin N, Reznitsky L Z, Sklyarov E V, Armbruster T, Medenbach O |
 |
American Mineralogist 91 (2006) 196-202 |
|
Schreyerite, V2Ti3O9: New occurrence and crystal structure |
|
Locality: Sludyanka complex at the southern shore of Lake Baikal, Russia |
|
_database_code_amcsd 0004005 |
|
17.102 5.0253 7.0579 90 106.636 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V3 -.07555 -.5010 .10036 .893 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Cr3 -.07555 -.5010 .10036 .079 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Fe3 -.07555 -.5010 .10036 .018 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Ti1 0 0 0 .845 .233 .0035 .0021 .0032 .0003 .0009 .0000 |
|
V1 0 0 0 .156 .233 .0035 .0021 .0032 .0003 .0009 .0000 |
|
Ti2 -.21608 .0067 -.07227 .845 .560 .0072 .0058 .0074 .0007 .0007 -.0011 |
|
V2 -.21608 .0067 -.07227 .156 .560 .0072 .0058 .0074 .0007 .0007 -.0011 |
|
O1 -.1085 .1585 -.0203 .47 .0040 .0049 .0089 -.0005 .0017 -.0008 |
|
O2 -.1742 -.3316 .0731 .50 .0055 .0051 .0091 .0005 .0034 .0004 |
|
O3 -.0474 -.3463 -.1300 .40 .0061 .0041 .0051 -.0004 .0016 -.0006 |
|
O4 -.2262 -.1679 -.3190 .52 .0081 .0063 .0058 -.0016 .0025 -.0005 |
|
O5 0 .1965 -.25 .37 .007 .003 .0039 0 .0018 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Batisivite |
|
Armbruster T, Kadiyski M, Reznitsky L Z, Sklyarov E V, Galuskin E V |
| |
European Journal of Mineralogy 20 (2008) 975-981 |
|
Batisivite, the first silicate related to the derbylite-hemloite group |
|
Locality: Sludyanka complex, Southern Lake Baikal, Siberia, Russia |
|
_database_code_amcsd 0007268 |
|
7.5208 7.6430 9.5724 110.204 103.338 98.281 P-1 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 0 .5 .772 .692 .0060 .0056 .0125 .0006 .0021 .0018 |
|
Ba2 .5 -.5 0 .248 .99 .0137 .0072 .0174 .0048 .0031 .0060 |
|
VM1 .11201 .18952 .50638 .44 .372 .0040 .0056 .0036 -.0001 .0011 .0012 |
|
CrM1 .11201 .18952 .50638 .16 .372 .0040 .0056 .0036 -.0001 .0011 .0012 |
|
TiM1 .11201 .18952 .50638 .40 .372 .0040 .0056 .0036 -.0001 .0011 .0012 |
|
VM2 .88625 .38522 .69966 .44 .402 .0047 .0064 .0041 .0019 .0010 .0020 |
|
CrM2 .88625 .38522 .69966 .16 .402 .0047 .0064 .0041 .0019 .0010 .0020 |
|
TiM2 .88625 .38522 .69966 .40 .402 .0047 .0064 .0041 .0019 .0010 .0020 |
|
VM3 .88360 -.12456 .19818 .44 .434 .0049 .0068 .0051 .0019 .0017 .0023 |
|
CrM3 .88360 -.12456 .19818 .16 .434 .0049 .0068 .0051 .0019 .0017 .0023 |
|
TiM3 .88360 -.12456 .19818 .40 .434 .0049 .0068 .0051 .0019 .0017 .0023 |
|
VM4 .11820 .68600 .00635 .44 .465 .0055 .0062 .0050 .0001 .0017 .0015 |
|
CrM4 .11820 .68600 .00635 .16 .465 .0055 .0062 .0050 .0001 .0017 .0015 |
|
TiM4 .11820 .68600 .00635 .40 .465 .0055 .0062 .0050 .0001 .0017 .0015 |
|
VM5 .26870 -.30331 .69272 .44 .79 .0130 .0105 .0069 .0026 .0035 .0035 |
|
CrM5 .26870 -.30331 .69272 .16 .79 .0130 .0105 .0069 .0026 .0035 .0035 |
|
TiM5 .26870 -.30331 .69272 .40 .79 .0130 .0105 .0069 .0026 .0035 .0035 |
|
VM6 .73514 -.18684 .80932 .44 .733 .0112 .0095 .0074 .0023 .0036 .0032 |
|
CrM6 .73514 -.18684 .80932 .16 .733 .0112 .0095 .0074 .0023 .0036 .0032 |
|
TiM6 .73514 -.18684 .80932 .40 .733 .0112 .0095 .0074 .0023 .0036 .0032 |
|
VM7 .5 -.5 .5 .44 .36 .0042 .0046 .0037 .0006 .0012 .0006 |
|
CrM7 .5 -.5 .5 .16 .36 .0042 .0046 .0037 .0006 .0012 .0006 |
|
TiM7 .5 -.5 .5 .40 .36 .0042 .0046 .0037 .0006 .0012 .0006 |
|
VM8 .5 0 0 .44 .62 .0070 .0085 .0068 .0010 .0024 .0017 |
|
CrM8 .5 0 0 .16 .62 .0070 .0085 .0068 .0010 .0024 .0017 |
|
TiM8 .5 0 0 .40 .62 .0070 .0085 .0068 .0010 .0024 .0017 |
|
Si1 .5002 -.4057 .1821 .751 .31 |
|
Si2 .5009 -.0941 .3180 .227 .31 |
|
OD1 .5 0 .5 .227 .692 .0060 .0056 .0125 .0006 .0021 .0018 |
|
OD2 .5 -.5 0 .751 .99 .0137 .0072 .0174 .0048 .0031 .0060 |
|
O1 .1001 -.1468 .6757 .48 .006 .007 .005 .0045 .000 .0018 |
|
O2 .4996 -.5644 .2762 .76 .006 .010 .009 .002 .001 .000 |
|
O3 .9315 .6065 .1083 .38 .006 .004 .004 .0015 .0013 .0016 |
|
O4 .9050 -.3443 .8271 .56 .006 .008 .007 .0031 .001 .002 |
|
O5 .9252 .1077 .6062 .40 .005 .005 .005 .0002 .0012 .0023 |
|
O6 .6915 -.2145 .2943 .99 .006 .023 .010 .002 .002 .010 |
|
O7 .5001 -.0759 .7824 .71 .007 .011 .006 .001 .002 .000 |
|
O8 .0959 -.5463 .6230 .59 .007 .006 .008 -.0009 .004 .0014 |
|
O9 .9010 .0535 .8744 .49 .006 .005 .008 -.0006 .003 .0022 |
|
O10 .3031 .2567 .4147 .47 .005 .006 .006 -.0010 .0019 .0030 |
|
O11 .3103 -.3093 .1989 .89 .006 .021 .009 .002 .002 .009 |
|
O12 .3019 .7595 .9160 .48 .006 .006 .006 -.0005 .003 .0019 |
|
O13 .7002 -.1406 .0153 .43 .006 .007 .004 .0036 .0009 .0029 |
|
O14 .6947 .3540 .5128 .44 .005 .006 .006 .0028 .0010 .0035 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Oxyvanite |
| |
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: Crystal I-2-7 |
|
_database_code_amcsd 0007328 |
|
10.0299 5.0505 6.999 90 111.13 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) |
|
V4+1 0 0 0 .593 .00557 .0070 .0042 .00645 .00085 .00368 .00075 |
|
Ti4+1 0 0 0 .407 .00557 .0070 .0042 .00645 .00085 .00368 .00075 |
|
V3+2 -.12871 -.50005 -.21740 .835 .00847 .01035 .00806 .00930 .00140 .00630 .00182 |
|
Cr3+2 -.12871 -.50005 -.21740 .164 .00847 .01035 .00806 .00930 .00140 .00630 .00182 |
|
O1 .19284 .1544 .1536 .0102 .0090 .0086 .0121 -.0008 .0027 -.0012 |
|
O2 .08080 -.3434 -.0570 .0074 .0100 .0058 .0076 -.0010 .0048 -.0016 |
|
O3 0 .1931 -.25 .0069 .0094 .0050 .0080 0 .0051 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berdesinskiite |
|
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: Crystal II-7-21 |
|
_database_code_amcsd 0007329 |
|
10.0546 5.0603 7.0111 90 110.845 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) |
|
V4+1 0 0 0 .460 .00478 .00507 .00406 .00521 .00083 .00184 .00068 |
|
Ti4+1 0 0 0 .540 .00478 .00507 .00406 .00521 .00083 .00184 .00068 |
|
V3+2 -.12770 -.49833 -.21575 .831 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
|
Cr3+2 -.12770 -.49833 -.21575 .163 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
|
Fe3+2 -.12770 -.49833 -.21575 .006 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
|
O1 .19284 .1550 .1520 .0091 .0068 .0082 .0102 -.0002 .0004 -.0013 |
|
O2 .08118 -.3431 -.05671 .0068 .0085 .0050 .0072 -.0007 .0033 -.0010 |
|
O3 0 .1926 -.25 .0069 .0078 .0064 .0068 0 .0032 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berdesinskiite |
|
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: III-7-22 |
|
_database_code_amcsd 0007330 |
|
10.033 5.039 6.988 90 111.50 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) |
|
V4+1 0 0 0 .242 .0055 .0056 .0063 .0047 -.00038 .0019 -.00018 |
|
Ti4+1 0 0 0 .758 .0055 .0056 .0063 .0047 -.00038 .0019 -.00018 |
|
V3+2 -.12929 -.50103 -.21777 .690 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
|
Cr3+2 -.12929 -.50103 -.21777 .305 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
|
Al2 -.12929 -.50103 -.21777 .003 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
|
Mg2 -.12929 -.50103 -.21777 .002 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
|
O1 .19176 .1552 .1544 .0101 .0089 .0103 .0099 .0009 .0022 .0006 |
|
O2 .0813 -.3446 -.0559 .0081 .0091 .0083 .0073 -.0012 .0033 -.0008 |
|
O3 0 .1936 -.25 .0089 .0110 .0102 .0065 0 .0042 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berdesinskiite |
|
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: III-9-11 |
|
_database_code_amcsd 0007331 |
|
10.0448 5.0393 6.9890 90 111.486 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) |
|
V4+1 0 0 0 .242 .0040 .0044 .0034 .0044 -.0002 .0020 -.0004 |
|
Ti4+1 0 0 0 .758 .0040 .0044 .0034 .0044 -.0002 .0020 -.0004 |
|
V3+2 -.13074 -.49931 -.22042 .690 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
|
Cr3+2 -.13074 -.49931 -.22042 .305 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
|
Al2 -.13074 -.49931 -.22042 .003 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
|
Mg2 -.13074 -.49931 -.22042 .002 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
|
O1 .1906 .1557 .1572 .0092 |
|
O2 .0809 -.3439 -.0555 .0069 |
|
O3 0 .1953 -.25 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
