|
Diopside |
 |
Liang J, Hawthorne F C |
 |
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: single crystal SC |
|
_database_code_amcsd 0005384 |
|
9.7429 8.9161 5.2557 90 105.880 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .90818 .25 .992 .38 |
|
FeM1 0 .90818 .25 .008 .38 |
|
CaM2 0 .30152 .25 .67 |
|
SiT .28645 .09328 .22934 .966 .42 |
|
AlT .28645 .09328 .22934 .034 .42 |
|
O1 .11533 .08722 .14135 .56 |
|
O2 .36136 .25015 .31912 .70 |
|
O3 .35085 .01806 .99519 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: SPh single phase Rietveld |
|
_database_code_amcsd 0005385 |
|
9.7476 8.9174 5.2573 90 105.900 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .908 .25 .992 .38 |
|
FeM1 0 .908 .25 .008 .38 |
|
CaM2 0 .301 .25 .67 |
|
SiT .288 .094 .230 .961 .42 |
|
AlT .288 .094 .230 .039 .42 |
|
O1 .115 .088 .143 .56 |
|
O2 .363 .252 .320 .70 |
|
O3 .353 .019 .999 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P1 - 9.9% olivine Rietveld |
|
_database_code_amcsd 0005386 |
|
9.7501 8.9207 5.2593 90 105.897 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .906 .25 .984 .38 |
|
FeM1 0 .906 .25 .016 .38 |
|
CaM2 0 .302 .25 .67 |
|
SiT .287 .094 .232 .961 .42 |
|
AlT .287 .094 .232 .039 .42 |
|
O1 .115 .091 .138 .56 |
|
O2 .363 .250 .322 .70 |
|
O3 .352 .018 .004 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P2 - 19.9% olivine Rietveld |
|
_database_code_amcsd 0005387 |
|
9.7497 8.9189 5.2576 90 105.903 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .908 .25 .970 .38 |
|
FeM1 0 .908 .25 .030 .38 |
|
CaM2 0 .301 .25 .67 |
|
SiT .288 .094 .233 .961 .42 |
|
AlT .288 .094 .233 .039 .42 |
|
O1 .113 .089 .140 .56 |
|
O2 .365 .250 .321 .70 |
|
O3 .349 .020 .003 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P3 - 30.6% olivine Rietveld |
|
_database_code_amcsd 0005388 |
|
9.7489 8.9181 5.2574 90 105.888 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .908 .25 .982 .38 |
|
FeM1 0 .908 .25 .018 .38 |
|
CaM2 0 .302 .25 .67 |
|
SiT .287 .093 .231 .961 .42 |
|
AlT .287 .093 .231 .039 .42 |
|
O1 .114 .089 .135 .56 |
|
O2 .365 .250 .318 .70 |
|
O3 .350 .020 .998 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P4 - 39.7% olivine Rietveld |
|
_database_code_amcsd 0005389 |
|
9.7489 8.9184 5.2577 90 105.896 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .907 .25 .948 .38 |
|
FeM1 0 .907 .25 .052 .38 |
|
CaM2 0 .302 .25 .67 |
|
SiT .287 .093 .231 .961 .42 |
|
AlT .287 .093 .231 .039 .42 |
|
O1 .116 .090 .140 .56 |
|
O2 .364 .250 .319 .70 |
|
O3 .352 .021 .000 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P5 - 49.9% olivine Rietveld |
|
_database_code_amcsd 0005390 |
|
9.7485 8.9179 5.2566 90 105.894 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .907 .25 .976 .38 |
|
FeM1 0 .907 .25 .024 .38 |
|
CaM2 0 .302 .25 .67 |
|
SiT .288 .094 .231 .961 .42 |
|
AlT .288 .094 .231 .039 .42 |
|
O1 .115 .089 .140 .56 |
|
O2 .364 .251 .321 .70 |
|
O3 .352 .019 .007 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P6 - 59.9% olivine Rietveld |
|
_database_code_amcsd 0005391 |
|
9.7464 8.9163 5.2562 90 105.897 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .907 .25 .990 .38 |
|
FeM1 0 .907 .25 .010 .38 |
|
CaM2 0 .300 .25 .67 |
|
SiT .287 .092 .234 .961 .42 |
|
AlT .287 .092 .234 .039 .42 |
|
O1 .113 .090 .137 .56 |
|
O2 .366 .253 .325 .70 |
|
O3 .353 .023 .005 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P7 - 70.0% olivine Rietveld |
|
_database_code_amcsd 0005392 |
|
9.7493 8.9142 5.2564 90 105.893 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .907 .25 .992 .38 |
|
FeM1 0 .907 .25 .008 .38 |
|
CaM2 0 .300 .25 .67 |
|
SiT .288 .091 .229 .961 .42 |
|
AlT .288 .091 .229 .039 .42 |
|
O1 .113 .089 .136 .56 |
|
O2 .365 .251 .327 .70 |
|
O3 .353 .025 .010 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P8 - 79.9% olivine Rietveld |
|
_database_code_amcsd 0005393 |
|
9.7498 8.9160 5.2586 90 105.872 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .905 .25 .998 .38 |
|
FeM1 0 .905 .25 .002 .38 |
|
CaM2 0 .302 .25 .67 |
|
SiT .287 .092 .230 .961 .42 |
|
AlT .287 .092 .230 .039 .42 |
|
O1 .111 .089 .137 .56 |
|
O2 .368 .250 .327 .70 |
|
O3 .358 .021 .010 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P9 - 89.6% olivine Rietveld |
|
_database_code_amcsd 0005394 |
|
9.747 8.914 5.2590 90 105.90 90 C2/c |
|
atom x y z occ Biso |
|
MgM1 0 .898 .25 .962 .38 |
|
FeM1 0 .898 .25 .038 .38 |
|
CaM2 0 .299 .25 .67 |
|
SiT .293 .090 .234 .961 .42 |
|
AlT .293 .090 .234 .039 .42 |
|
O1 .118 .080 .145 .56 |
|
O2 .366 .250 .320 .70 |
|
O3 .368 .028 .023 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: single crystal SC |
|
_database_code_amcsd 0005395 |
|
4.7642 10.2258 6.0045 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .42657 .09441 .25 .39 |
|
MgM1 0 0 0 .904 .40 |
|
FeM1 0 0 0 .096 .40 |
|
MgM1 .98978 .27774 .25 .912 .41 |
|
FeM1 .98978 .27774 .25 .088 .41 |
|
O1 .7666 .0917 .25 .50 |
|
O2 .2199 .44786 .25 .48 |
|
O3 .27883 .16332 .03370 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: SPh single phase Rietveld |
|
_database_code_amcsd 0005396 |
|
4.7649 10.2376 5.9986 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .4288 .0949 .25 .39 |
|
MgM1 0 0 0 .924 .40 |
|
FeM1 0 0 0 .076 .40 |
|
MgM2 .9924 .2769 .25 .898 .41 |
|
FeM2 .9924 .2769 .25 .102 .41 |
|
O1 .7655 .0896 .25 .50 |
|
O2 .2197 .4477 .25 .48 |
|
O3 .2784 .1639 .0318 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P1 Rietveld, 9.9% olivine |
|
_database_code_amcsd 0005397 |
|
4.7673 10.249 5.9996 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .428 .107 .25 .39 |
|
MgM1 0 0 0 .82 .40 |
|
FeM1 0 0 0 .18 .40 |
|
MgM2 .998 .273 .25 .902 .41 |
|
FeM2 .998 .273 .25 .098 .41 |
|
O1 .782 .081 .25 .50 |
|
O2 .195 .439 .25 .48 |
|
O3 .202 .163 .017 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P2 Rietveld, 19.9% olivine |
|
_database_code_amcsd 0005398 |
|
4.7659 10.2414 5.9983 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .420 .096 .25 .39 |
|
MgM1 0 0 0 .854 .40 |
|
FeM1 0 0 0 .146 .40 |
|
MgM2 .990 .277 .25 .900 .41 |
|
FeM2 .990 .277 .25 .100 .41 |
|
O1 .766 .093 .25 .50 |
|
O2 .223 .443 .25 .48 |
|
O3 .264 .167 .023 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P3 Rietveld, 30.6% olivine |
|
_database_code_amcsd 0005399 |
|
4.7654 10.2396 5.9984 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .427 .095 .25 .39 |
|
MgM1 0 0 0 .872 .40 |
|
FeM1 0 0 0 .128 .40 |
|
MgM2 .990 .278 .25 .900 .41 |
|
FeM2 .990 .278 .25 .100 .41 |
|
O1 .769 .095 .25 .50 |
|
O2 .207 .445 .25 .48 |
|
O3 .276 .164 .030 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P4 Rietveld, 39.7% olivine |
|
_database_code_amcsd 0005400 |
|
4.7652 10.2388 5.9992 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .428 .095 .25 .39 |
|
MgM1 0 0 0 .918 .40 |
|
FeM1 0 0 0 .082 .40 |
|
MgM2 .990 .278 .25 .898 .41 |
|
FeM2 .990 .278 .25 .102 .41 |
|
O1 .768 .092 .25 .50 |
|
O2 .217 .443 .25 .48 |
|
O3 .273 .163 .032 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P5 Rietveld, 49.9% olivine |
|
_database_code_amcsd 0005401 |
|
4.7651 10.2385 5.9983 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .427 .095 .25 .39 |
|
MgM1 0 0 0 .902 .40 |
|
FeM1 0 0 0 .098 .40 |
|
MgM2 .988 .277 .25 .902 .41 |
|
FeM2 .988 .277 .25 .098 .41 |
|
O1 .769 .090 .25 .50 |
|
O2 .220 .445 .25 .48 |
|
O3 .272 .163 .031 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P6 Rietveld, 59.9% olivine |
|
_database_code_amcsd 0005402 |
|
4.7644 10.2370 5.9975 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .427 .096 .25 .39 |
|
MgM1 0 0 0 .906 .40 |
|
FeM1 0 0 0 .094 .40 |
|
MgM2 .988 .277 .25 .894 .41 |
|
FeM2 .988 .277 .25 .106 .41 |
|
O1 .763 .091 .25 .50 |
|
O2 .216 .446 .25 .48 |
|
O3 .275 .162 .031 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P7 Rietveld, 70.0% olivine |
|
_database_code_amcsd 0005403 |
|
4.7649 10.2370 5.9980 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .427 .095 .25 .39 |
|
MgM1 0 0 0 .902 .40 |
|
FeM1 0 0 0 .098 .40 |
|
MgM2 .990 .277 .25 .898 .41 |
|
FeM2 .990 .277 .25 .102 .41 |
|
O1 .765 .091 .25 .50 |
|
O2 .218 .446 .25 .48 |
|
O3 .278 .163 .032 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P8 Rietveld, 79.9% olivine |
|
_database_code_amcsd 0005404 |
|
4.7659 10.2396 5.9993 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .428 .095 .25 .39 |
|
MgM1 0 0 0 .910 .40 |
|
FeM1 0 0 0 .090 .40 |
|
MgM2 .990 .2774 .25 .900 .41 |
|
FeM2 .990 .2774 .25 .100 .41 |
|
O1 .767 .090 .25 .50 |
|
O2 .216 .446 .25 .48 |
|
O3 .279 .162 .030 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Liang J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 541-552 |
|
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld |
|
structure refinement: olivine + pyroxene |
|
Sample: P9 Rietveld, 89.6% olivine |
|
_database_code_amcsd 0005405 |
|
4.7660 10.2379 5.9992 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Si .428 .095 .25 .39 |
|
MgM1 0 0 0 .902 .40 |
|
FeM1 0 0 0 .098 .40 |
|
MgM2 .990 .2778 .25 .900 .41 |
|
FeM2 .990 .2778 .25 .100 .41 |
|
O1 .768 .089 .25 .50 |
|
O2 .217 .446 .25 .48 |
|
O3 .278 .161 .032 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boromuscovite |
|
Liang J, Hawthorne F C, Novak M, Cerny P |
|
The Canadian Mineralogist 33 (1995) 859-865 |
|
Crystal-structure refinement of boromuscovite polytypes using a coupled |
|
Rietveld-static-structure energy-minimization method |
|
Sample: 2M1 polytype |
|
Locality: Recice, Czech Republic |
|
_database_code_amcsd 0005445 |
|
5.090 8.822 19.819 90 95.62 90 C2/c |
|
atom x y z occ Biso |
|
Al .25 .079 -.0002 .96 .47 |
|
SiT1 .442 .254 .1351 .78 .12 |
|
BT1 .442 .254 .1351 .22 .12 |
|
SiT2 .045 .426 .3640 .72 .17 |
|
BT2 .045 .426 .3640 .28 .17 |
|
K 0 .103 .25 .41 .26 |
|
O .039 .072 .4541 .35 |
|
O1 .385 .248 .0569 .37 |
|
O2 .043 .438 .4466 .29 |
|
O3 .419 .090 .1655 .38 |
|
O4 .229 .361 .1636 .68 |
|
O5 .270 .314 .3466 .32 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Boromuscovite |
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Liang J, Hawthorne F C, Novak M, Cerny P |
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The Canadian Mineralogist 33 (1995) 859-865 |
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Crystal-structure refinement of boromuscovite polytypes using a coupled |
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Rietveld-static-structure energy-minimization method |
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Sample: 1M polytype |
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Locality: Recice, Czech Republic |
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_database_code_amcsd 0005446 |
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5.102 8.788 10.076 90 101.23 90 C2/m |
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atom x y z occ Biso |
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Al 0 .666 0 .41 .62 |
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SiT .437 .674 .272 .75 .12 |
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BT .437 .674 .272 .25 .12 |
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K .5 0 .5 .20 .26 |
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OH .433 0 .100 .35 |
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O1 .347 .715 .116 .37 |
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O2 .192 .726 .33 .68 |
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O3 .520 .5 .287 .38 |
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Muscovite |
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Liang J, Hawthorne F C |
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The Canadian Mineralogist 34 (1996) 115-122 |
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Rietveld refinement of micaceous materials: muscovite-2M1, a comparison |
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with single-crystal structure refinement |
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Sample: Rietveld refinement (transmission mode) |
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_database_code_amcsd 0005483 |
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5.1765 8.9872 20.072 90 95.756 90 C2/c |
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atom x y z occ |
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Al .251 .080 -.0015 .97 |
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SiT1 .449 .257 .1341 .98 |
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SiT2 .033 .431 .3650 .95 |
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K 0 .099 .25 .86 |
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OH .037 .066 .4537 |
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O1 .375 .245 .0537 |
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O2 .042 .445 .4469 |
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O3 .410 .088 .1678 |
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O4 .244 .368 .1683 |
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O5 .249 .307 .3440 |
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Muscovite |
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Liang J, Hawthorne F C |
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The Canadian Mineralogist 34 (1996) 115-122 |
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Rietveld refinement of micaceous materials: muscovite-2M1, a comparison |
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with single-crystal structure refinement |
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Sample: Rietveld refinement (reflection mode) |
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_database_code_amcsd 0005484 |
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5.1805 8.994 20.086 90 95.740 90 C2/c |
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atom x y z occ |
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Al .246 .081 -.0012 .98 |
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SiT1 .447 .256 .1346 .97 |
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SiT2 .032 .428 .3642 .93 |
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K 0 .104 .25 .94 |
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OH .045 .068 .4526 |
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O1 .379 .246 .0540 |
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O2 .035 .442 .4483 |
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O3 .413 .090 .1667 |
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O4 .257 .372 .1691 |
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O5 .248 .307 .3438 |
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Muscovite |
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Liang J, Hawthorne F C |
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The Canadian Mineralogist 34 (1996) 115-122 |
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Rietveld refinement of micaceous materials: muscovite-2M1, a comparison |
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with single-crystal structure refinement |
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Sample: single-crystal refinement |
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_database_code_amcsd 0005485 |
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5.180 8.993 20.069 90 95.69 90 C2/c |
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atom x y z occ Uiso |
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Al .2510 .0838 .0000 .965 .0071 |
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SiT1 .4514 .2582 .1355 .944 .0081 |
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SiT2 .0345 .4295 .3646 .942 .0078 |
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K 0 .0986 .25 .894 .0226 |
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OH .0429 .0617 .4501 .0135 |
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O1 .3836 .2511 .0536 .0136 |
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O2 .0380 .4447 .4463 .0134 |
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O3 .4128 .0925 .1682 .0189 |
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O4 .2516 .3726 .1688 .0189 |
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O5 .2469 .3083 .3426 .0208 |
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Muscovite |
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Liang J, Hawthorne F C, Swainson I P |
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The Canadian Mineralogist 36 (1998) 1017-1027 |
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Triclinic muscovite: X-ray diffraction, neutron diffraction and |
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photo-acoustic FTIR spectroscopy |
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Sample: room temperature |
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_database_code_amcsd 0005549 |
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5.1918 9.0153 20.0457 90 95.735 90 C2/c |
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atom x y z occ |
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Al .2501 .0838 .0001 .98 |
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Fe .2501 .0838 .0001 .01 |
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Mn .2501 .0838 .0001 .01 |
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SiT1 .4650 .9291 .1356 .77 |
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AlT1 .4650 .9291 .1356 .23 |
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SiT2 .4514 .2581 .1356 .77 |
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AlT2 .4514 .2581 .1356 .23 |
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K 0 .0978 .25 .89 |
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Na 0 .0978 .25 .10 |
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Rb 0 .0978 .25 .01 |
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H1 .3656 .6560 .0522 |
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H2 .3883 .6380 .0720 |
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O1 .4172 .0929 .1682 |
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O2 .2505 .8106 .1577 |
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O3 .2504 .3702 .1686 |
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O4 .4609 .9428 .0534 |
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O5 .3859 .2514 .0534 |
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Oh .4566 .5628 .0502 |
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Muscovite |
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Liang J, Hawthorne F C, Swainson I P |
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The Canadian Mineralogist 36 (1998) 1017-1027 |
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Triclinic muscovite: X-ray diffraction, neutron diffraction and |
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photo-acoustic FTIR spectroscopy |
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Sample: T = 12 K |
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_database_code_amcsd 0005550 |
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5.1628 8.962 19.977 90 95.738 90 C2/c |
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atom x y z occ |
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Al .264 .082 .001 .98 |
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Fe .264 .082 .001 .01 |
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Mn .264 .082 .001 .01 |
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SiT1 .464 .930 .137 .77 |
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AlT1 .464 .930 .137 .23 |
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SiT2 .449 .261 .134 .77 |
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AlT2 .449 .261 .134 .23 |
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K 0 .092 .25 .89 |
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Na 0 .092 .25 .10 |
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Rb 0 .092 .25 .01 |
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H1 .392 .668 .052 |
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H2 .402 .632 .088 |
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O1 .406 .091 .167 |
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O2 .253 .801 .157 |
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O3 .247 .368 .167 |
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O4 .457 .949 .052 |
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O5 .382 .253 .054 |
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Oh .460 .560 .050 |
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Stillwellite-(Nd) |
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Shi Y, Liang J K, Zhang H, Yang J L, Zhuang W D, Rao G H |
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Journal of Alloys and Compounds 259 (1997) 163-169 |
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Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5 |
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Locality: Synthetic |
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_database_code_amcsd 0018729 |
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6.8035 6.8035 6.6487 90 90 120 P3_121 |
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atom x y z occ Biso |
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Nd .4159 0 1/3 .21 |
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B .8723 0 1/3 1.52 |
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Si .4177 0 5/6 .34 |
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O1 .3284 .1387 .9717 1.01 |
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O2 .4587 .8511 .0004 1.31 |
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O3 -.0180 .0453 .5555 .5 .63 |
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B5 Ca3 La3 O15 |
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Zhang Y, Liang J, Chen X, He M, Xu T |
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Journal of Alloys and Compounds 327 (2001) 96-99 |
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A structural study of Ca3La3(BO3)5 |
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_cod_database_code 1100055 |
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_database_code_amcsd 0018238 |
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10.5319 10.5319 6.4077 90 90 120 P6_3mc |
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atom x y z |
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B1 0 0 .7520 |
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B2 1/3 2/3 .3933 |
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B3 .8033 -.8033 .4614 |
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Ca1 .5271 -.5271 .2366 |
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La1 .8440 -.8440 -.0826 |
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O1 .3738 .0668 .5516 |
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O2 .9269 -.9269 .2566 |
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O3 .4087 -.4087 .3993 |
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O4 .7750 -.7750 -.2691 |
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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100046 |
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_database_code_amcsd 0018234 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100056 |
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_database_code_amcsd 0018239 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
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B2 Na3 O6 Y |
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Zhang Y, Chen X, Liang J, Xu T |
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Journal of Alloys and Compounds 333 (2002) 72-75 |
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Synthesis and structural study of new rarte earth sodium |
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borates of Na3Ln(BO2)3(Ln=Y,Gd) |
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_cod_database_code 1100065 |
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_database_code_amcsd 0018244 |
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6.5050 8.5172 12.0213 90 118.72 90 P2_1/c |
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atom x y z |
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B1 .1536 .4464 .3739 |
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B2 .3651 .5901 .1394 |
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Na1 .4027 .7955 .3763 |
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Na2 .0671 .2919 .0720 |
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Na3 .3352 .9472 .1138 |
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O1 .2687 .3359 .4791 |
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O2 .0539 .3791 .2552 |
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O3 .1420 .5967 .3961 |
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O4 .2578 .6913 .1785 |
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O5 .2629 .5059 .0227 |
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O6 .3999 .0772 .3074 |
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Y .0982 .1266 .3294 |
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B Ga O4 Sr |
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Yang Z, Liang J, Chen X, Chen J |
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Journal of Solid State Chemistry 165 (2002) 119-124 |
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Ab intio structure determination of a new compound, |
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beta-SrGaBO4,from powder diffraction data |
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_cod_database_code 1100052 |
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_database_code_amcsd 0018236 |
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15.3706 8.9921 5.9191 90 90 90 P2_12_12 |
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atom x y z |
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Sr1 .1218 -.0716 .5001 |
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Sr2 .5220 .2863 .0076 |
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Ga1 .3498 .0341 .7571 |
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Ga2 .3412 .0428 .2499 |
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O1 .0981 -.0364 -.003 |
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O2 .4015 -.1264 .272 |
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O3 .3671 .1505 .5041 |
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O4 .5941 .1461 .683 |
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O5 .2323 -.0386 .198 |
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O6 .2278 -.0007 .795 |
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O7 .3950 .1300 .0080 |
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O8 .0306 .1794 .478 |
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B1 .1850 -.0317 .0050 |
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B2 .0850 .2950 .5300 |
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