|
Danalite |
 |
Hassan I, Grundy H D |
 |
American Mineralogist 70 (1985) 186-192 |
|
The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 |
|
_database_code_amcsd 0000971 |
|
8.218 8.218 8.218 90 90 90 P-43n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe .1687 .1687 .1687 .0068 .0068 .0068 .0004 .0004 .0004 |
|
O .1394 .14 .4114 .0071 .0070 .0047 .0026 .0008 .0009 |
|
Be .25 0 .5 .0097 .0055 .0055 0 0 0 |
|
Si .25 .5 0 .0034 .0030 .0030 0 0 0 |
|
S 0 0 0 .0096 .0096 .0096 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Hassan I, Grundy H D |
|
American Mineralogist 70 (1985) 186-192 |
|
The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 |
|
_database_code_amcsd 0000972 |
|
8.232 8.232 8.232 90 90 90 P-43n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe .1693 .1693 .1693 .0069 .0069 .0069 .0003 .0003 .0003 |
|
O .1395 .1401 .4126 .0070 .0068 .0058 .0023 .0012 .0012 |
|
Be .25 0 .5 .0078 .0059 .0059 0 0 0 |
|
Si .25 .5 0 .0037 .0029 .0029 0 0 0 |
|
S 0 0 0 .0103 .0103 .0103 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: SC20, single crystal data at T = 20 degrees C |
|
_database_code_amcsd 0005895 |
|
8.2317 8.2317 8.2317 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0065 |
|
Si .25 .5 0 .0032 |
|
O .1395 .1401 .4126 .0066 |
|
Fe .1693 .1693 .1693 .0069 |
|
S 0 0 0 .0103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 33 degrees C |
|
_database_code_amcsd 0005896 |
|
8.23264 8.23264 8.23264 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0138 |
|
Si .25 .5 0 .0188 |
|
O .13936 .13998 .41256 .0171 |
|
Fe .16976 .16976 .16976 .0060 |
|
S 0 0 0 .0183 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 124 degrees C |
|
_database_code_amcsd 0005897 |
|
8.23606 8.23606 8.23606 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0157 |
|
Si .25 .5 0 .0209 |
|
O .13933 .13995 .41274 .0205 |
|
Fe .16992 .16992 .16992 .0086 |
|
S 0 0 0 .0205 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 142 degrees C |
|
_database_code_amcsd 0005898 |
|
8.23652 8.23652 8.23652 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0150 |
|
Si .25 .5 0 .0210 |
|
O .13948 .14012 .41282 .0205 |
|
Fe .16989 .16989 .16989 .0089 |
|
S 0 0 0 .0219 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 197 degrees C |
|
_database_code_amcsd 0005899 |
|
8.23996 8.23996 8.23996 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0152 |
|
Si .25 .5 0 .0219 |
|
O .13947 .14011 .41300 .0218 |
|
Fe .16997 .16997 .16997 .0108 |
|
S 0 0 0 .0241 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 252 degrees C |
|
_database_code_amcsd 0005900 |
|
8.24186 8.24186 8.24186 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0164 |
|
Si .25 .5 0 .0226 |
|
O .13935 .13998 .41306 .0228 |
|
Fe .17003 .17003 .17003 .0121 |
|
S 0 0 0 .0260 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 306 degrees C |
|
_database_code_amcsd 0005901 |
|
8.24408 8.24408 8.24408 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0167 |
|
Si .25 .5 0 .0230 |
|
O .13939 .14002 .41320 .0236 |
|
Fe .17006 .17006 .17006 .0135 |
|
S 0 0 0 .0273 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 343 degrees C |
|
_database_code_amcsd 0005902 |
|
8.24642 8.24642 8.24642 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0175 |
|
Si .25 .5 0 .0238 |
|
O .13947 .14010 .41335 .0251 |
|
Fe .17012 .17012 .17012 .0141 |
|
S 0 0 0 .0287 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 397 degrees C |
|
_database_code_amcsd 0005903 |
|
8.24837 8.24837 8.24837 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0170 |
|
Si .25 .5 0 .0244 |
|
O .13936 .13999 .41342 .0258 |
|
Fe .17017 .17017 .17017 .0158 |
|
S 0 0 0 .0310 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 452 degrees C |
|
_database_code_amcsd 0005904 |
|
8.25116 8.25116 8.25116 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0203 |
|
Si .25 .5 0 .0256 |
|
O .13946 .14009 .41361 .0268 |
|
Fe .17024 .17024 .17024 .0171 |
|
S 0 0 0 .0331 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 507 degrees C |
|
_database_code_amcsd 0005905 |
|
8.25392 8.25392 8.25392 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0186 |
|
Si .25 .5 0 .0255 |
|
O .13971 .14035 .41385 .0270 |
|
Fe .17022 .17022 .17022 .0189 |
|
S 0 0 0 .0360 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 543 degrees C |
|
_database_code_amcsd 0005906 |
|
8.25445 8.25445 8.25445 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0184 |
|
Si .25 .5 0 .0256 |
|
O .13965 .14028 .41385 .0275 |
|
Fe .17023 .17023 .17023 .0188 |
|
S 0 0 0 .0351 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 598 degrees C |
|
_database_code_amcsd 0005907 |
|
8.25766 8.25766 8.25766 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0186 |
|
Si .25 .5 0 .0262 |
|
O .13970 .14034 .41405 .0287 |
|
Fe .17022 .17022 .17022 .0209 |
|
S 0 0 0 .0382 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 652 degrees C |
|
_database_code_amcsd 0005908 |
|
8.26009 8.26009 8.26009 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0209 |
|
Si .25 .5 0 .0269 |
|
O .13951 .14015 .41412 .0296 |
|
Fe .17031 .17031 .17031 .0215 |
|
S 0 0 0 .0384 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 707 degrees C |
|
_database_code_amcsd 0005909 |
|
8.26256 8.26256 8.26256 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0221 |
|
Si .25 .5 0 .0269 |
|
O .13954 .14017 .41426 .0301 |
|
Fe .17032 .17032 .17032 .0233 |
|
S 0 0 0 .0406 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 744 degrees C |
|
_database_code_amcsd 0005910 |
|
8.26341 8.26341 8.26341 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0231 |
|
Si .25 .5 0 .0279 |
|
O .13970 .14033 .41436 .0309 |
|
Fe .17033 .17033 .17033 .0238 |
|
S 0 0 0 .0406 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 798 degrees C |
|
_database_code_amcsd 0005911 |
|
8.26655 8.26655 8.26655 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0225 |
|
Si .25 .5 0 .0287 |
|
O .13971 .14035 .41454 .0325 |
|
Fe .17039 .17039 .17039 .0253 |
|
S 0 0 0 .0418 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 853 degrees C |
|
_database_code_amcsd 0005912 |
|
8.26863 8.26863 8.26863 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0231 |
|
Si .25 .5 0 .0283 |
|
O .13960 .14023 .41461 .0325 |
|
Fe .17044 .17044 .17044 .0258 |
|
S 0 0 0 .0422 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 907 degrees C |
|
_database_code_amcsd 0005913 |
|
8.27146 8.27146 8.27146 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0236 |
|
Si .25 .5 0 .0290 |
|
O .13964 .14028 .41478 .0336 |
|
Fe .17044 .17044 .17044 .0274 |
|
S 0 0 0 .0444 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 944 degrees C |
|
_database_code_amcsd 0005914 |
|
8.27338 8.27338 8.27338 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0247 |
|
Si .25 .5 0 .0299 |
|
O .13955 .14018 .41485 .0340 |
|
Fe .17050 .17050 .17050 .0282 |
|
S 0 0 0 .0466 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 999 degrees C |
|
_database_code_amcsd 0005915 |
|
8.27569 8.27569 8.27569 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0259 |
|
Si .25 .5 0 .0285 |
|
O .13894 .13954 .41475 .0323 |
|
Fe .17076 .17076 .17076 .0305 |
|
S 0 0 0 .0422 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Danalite |
|
Antao S M, Hassan I, Parise J B |
|
The Canadian Mineralogist 41 (2003) 1413-1422 |
|
The structure of danalite at high temperature obtained from |
|
synchrotron radiation and Rietveld refinements |
|
Sample: T = 1035 degrees C |
|
_database_code_amcsd 0005916 |
|
8.27725 8.27725 8.27725 90 90 90 P-43n |
|
atom x y z Uiso |
|
Be .25 0 .5 .0269 |
|
Si .25 .5 0 .0273 |
|
O .13858 .13916 .41470 .0308 |
|
Fe .17093 .17093 .17093 .0321 |
|
S 0 0 0 .0401 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
