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
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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
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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
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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
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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
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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
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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
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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
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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 )
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