|
Marcasite |
 |
Buerger M J |
 |
American Mineralogist 16 (1931) 361-395 |
|
The crystal structure of marcasite |
|
Locality: Joplin, Missouri, USA |
|
_database_code_amcsd 0000008 |
|
3.37 4.44 5.39 90 90 90 Pmnn |
|
atom x y z |
|
Fe 0 0 0 |
|
S 0 .203 .375 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berthierite |
|
Buerger M J |
| |
American Mineralogist 21 (1936) 205-206 |
|
The crystal structure of berthierite |
|
_database_code_amcsd 0000014 |
|
11.44 14.12 3.76 90 90 90 Pnam |
|
atom x y z |
|
Fe .0625 .25 .25 |
|
Sb1 .1875 .875 .25 |
|
Sb2 .1875 .625 .25 |
|
S1 .0625 0 .25 |
|
S2 .1875 .125 .25 |
|
S3 .1875 .375 .25 |
|
S4 .0625 .75 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Valentinite |
|
Buerger M J |
| |
American Mineralogist 21 (1936) 206-207 |
|
The crystal structure of valentinite |
|
_database_code_amcsd 0000015 |
|
4.92 12.46 5.42 90 90 90 Pccn |
|
atom x y z |
|
Sb .1215 .207 .175 |
|
O1 .25 .25 -.075 |
|
O2 -.110 .156 .175 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gudmundite |
|
Buerger M J |
| |
American Mineralogist 24 (1939) 183-184 |
|
The crystal structure of gudmundite |
|
_database_code_amcsd 0000020 |
|
6.02 5.93 6.02 90 67.87 90 P2_1/c |
|
atom x y z |
|
Fe -.300 .015 .300 |
|
Sb .149 .131 .132 |
|
S -.356 .145 .667 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gudmundite |
|
Buerger M J |
| |
American Mineralogist 24 (1939) 183-184 |
|
The crystal structure of gudmundite |
|
_database_code_amcsd 0000021 |
|
10.00 5.93 6.73 90 90. 90 B2_1/d |
|
atom x y z |
|
Fe 0 .015 .300 |
|
Sb .140 .131 -.008 |
|
S .156 .145 .511 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Buerger M J, Klein G E, Hamburger G E |
| |
American Mineralogist 32 (1947) 197-197 |
|
The structure of nepheline |
|
_database_code_amcsd 0000040 |
|
10.05 10.05 8.38 90 90 120 P6_3 |
|
atom x y z |
|
K 0 0 0 |
|
Na .0100 .4300 0 |
|
Si1 1/3 2/3 .82 |
|
Al1 1/3 2/3 .18 |
|
Si2 .0900 .3300 1/3 |
|
Al2 .0900 .3300 2/3 |
|
O1 1/3 2/3 0 |
|
O2 .0900 .3300 .5 |
|
O3 .1700 .5200 .75 |
|
O4 .1700 .5200 .25 |
|
O5 .25 .2800 .25 |
|
O6 .25 .2800 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cubanite |
|
Buerger M J |
|
American Mineralogist 32 (1947) 415-425 |
|
The crystal structure of cubanite |
|
_database_code_amcsd 0000042 |
|
6.463 11.117 6.234 90 90 90 Pcmn |
|
atom x y z |
|
Fe .0833 .083 .135 |
|
Cu .5833 .25 .122 |
|
S1 .9167 .25 .270 |
|
S2 .4167 .083 .265 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Hamburger G E, Buerger M J |
|
American Mineralogist 33 (1948) 532-540 |
|
The structure of tourmaline |
|
Locality: de Kalb, New York, USA |
|
_database_code_amcsd 0000045 |
|
15.951 15.951 7.24 90 90 120 R3m |
|
atom x y z |
|
NaX 0 0 .770 |
|
MgY .133 .0665 .255 |
|
AlZ .050 .3670 .825 |
|
SiT .192 .1920 .624 |
|
B .117 .2340 0 |
|
OH1 0 0 .403 |
|
O2 .058 .1160 0 |
|
OH3 .233 .1165 .032 |
|
O4 .142 .0710 .624 |
|
O5 .102 .2040 .742 |
|
O6 .200 .2000 .403 |
|
O7 .279 .2460 .758 |
|
O8 .058 .2920 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berthierite |
|
Buerger M J, Hahn T |
| |
American Mineralogist 39 (1954) 319-319 |
|
The crystal structure of berthierite, FeSb2S4 |
|
_database_code_amcsd 0000064 |
|
11.44 14.12 3.76 90 90 90 Pnam |
|
atom x y z |
|
Fe .314 .335 .25 |
|
Sb1 .145 .064 .25 |
|
Sb2 .036 .385 .75 |
|
S1 .197 .272 .75 |
|
S2 .428 .186 .25 |
|
S3 .229 .494 .25 |
|
S4 .452 .405 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Buerger M J, Klein G E, Donnay G |
|
American Mineralogist 39 (1954) 805-818 |
|
Determination of the crystal structure of nepheline |
|
_database_code_amcsd 0000067 |
|
10.01 10.01 8.405 90 90 120 P6_3 |
|
atom x y z |
|
K 0 0 0 |
|
Na .0080 .4320 0 |
|
Si1 1/3 2/3 .82 |
|
Al1 1/3 2/3 .18 |
|
Si2 .0920 .3300 1/3 |
|
Al2 .0920 .3300 2/3 |
|
O1 1/3 2/3 0 |
|
O2 .0200 .3300 .5 |
|
O3 .1800 .5 .75 |
|
O4 .1700 .5300 .25 |
|
O5 .2300 .2800 .25 |
|
O6 .2300 .2800 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cubanite |
|
Azaroff L V, Buerger M J |
|
American Mineralogist 40 (1955) 213-225 |
|
Refinement of the structure of cubanite, CuFe2S3 |
|
_database_code_amcsd 0000068 |
|
6.46 11.12 6.23 90 90 90 Pcmn |
|
atom x y z |
|
Fe .0875 .0880 .1340 |
|
Cu .5830 .25 .1270 |
|
S1 .9130 .25 .2625 |
|
S2 .4130 .0835 .2740 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Berthierite |
|
Buerger M J, Hahn T |
|
American Mineralogist 40 (1955) 226-238 |
|
The crystal structure of berthierite, FeSb2S4 |
|
_database_code_amcsd 0000069 |
|
11.44 14.12 3.76 90 90 90 Pnam |
|
atom x y z |
|
Sb1 .145 .062 .25 |
|
Sb2 .037 .386 .75 |
|
Fe .316 .334 .25 |
|
S1 .195 .272 .75 |
|
S2 .424 .184 .25 |
|
S3 .226 .492 .25 |
|
S4 .451 .405 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pentlandite |
|
Pearson A D, Buerger M J |
|
American Mineralogist 41 (1956) 804-805 |
|
Confirmation of the crystal structure of pentlandite. |
|
_database_code_amcsd 0000079 |
|
10.030 10.030 10.030 90 90 90 Fm3m |
|
atom x y z occ |
|
Ni1 .5 .5 .5 .5 |
|
Fe1 .5 .5 .5 .5 |
|
Ni2 .125 .125 .125 .5 |
|
Fe2 .125 .125 .125 .5 |
|
S1 .25 .25 .25 |
|
S2 .25 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
|
| |
|
Cahnite |
|
Prewitt C T, Buerger M J |
|
American Mineralogist 46 (1961) 1077-1085 |
|
The crystal structure of cahnite, Ca2BAsO4(OH)4 |
|
_database_code_amcsd 0000097 |
|
7.11 7.11 6.20 90 90 90 I-4 |
|
atom x y z |
|
As 0 0 0 |
|
B 0 .5 .25 |
|
Ca1 0 0 .5 |
|
Ca2 0 .5 .75 |
|
O1 .178 .054 .167 |
|
O2 .160 .444 .114 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Narsarsukite |
|
Peacor D R, Buerger M J |
|
American Mineralogist 47 (1962) 539-556 |
|
The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10 |
|
_database_code_amcsd 0000113 |
|
10.7269 10.7269 7.9476 90 90 90 I4/m |
|
atom x y z Biso |
|
Ti 0 0 .2396 .130 |
|
Na .1858 .1378 .5 1.38 |
|
Si .0118 .3085 .1924 -.09 |
|
O1 0 0 0 .05 |
|
O2 0 0 .5 .20 |
|
O3 -.040 .3024 0 .17 |
|
O4 .0488 .1754 .2684 .37 |
|
O5 .1324 .4023 .1938 .32 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arsenopyrite |
|
Buerger M |
|
Zeitschrift fur Kristallographie 95 (1936) 83-113 |
|
The Symmetry and Crystal Structure of the Minerals of the Arsenopyrite Group |
|
_cod_database_code 1010025 |
|
_database_code_amcsd 0016964 |
|
9.51 5.65 6.42 90 90 90.0 B2_1/d |
|
atom x y z |
|
Fe1 0 0 .275 |
|
As1 .147 .128 0 |
|
S1 .167 .132 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganite |
|
Buerger M J |
|
Zeitschrift fur Kristallographie 95 (1936) 163-174 |
|
The symmetry and crystal structure of manganite, Mn(OH)O |
|
Locality: Ilfeld, Germany |
|
_database_code_amcsd 0010565 |
|
8.86 5.24 5.7 90 90.0 90 B2_1/d |
|
atom x y z |
|
Mn 0 0 .258 |
|
O1 .119 .122 0 |
|
O2 .119 .122 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marcasite |
|
Buerger M |
| |
Zeitschrift fur Kristallographie 97 (1937) 504-513 |
|
Interatomic Distances in Marcasite and Notes on the Bonding in Crystals |
|
of Loellingite, Arsenopyrite, and Marcasite Types. |
|
_cod_database_code 1011013 |
|
_database_code_amcsd 0017921 |
|
4.436 5.414 3.381 90 90 90 Pnnm |
|
atom x y z |
|
Fe1 0 0 0 |
|
S1 .2 .378 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Valentinite |
|
Buerger M J, Hendricks S B |
|
Zeitschrift fur Kristallographie 98 (1938) 1-30 |
|
The crystal structure of valentinite |
|
_database_code_amcsd 0010568 |
|
4.92 12.46 5.42 90 90 90 Pccn |
|
atom x y z |
|
Sb .0444 .1283 .179 |
|
O1 .25 .25 -.075 |
|
O2 .147 .058 -.139 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gudmundite |
|
Buerger M |
| |
Zeitschrift fur Kristallographie 101 (1939) 290-316 |
|
The Crystal Structure of Gudmundite (Fe Sb S) and its Bearing on the |
|
Existence Field of the Arsenopyrite Structural Type |
|
_cod_database_code 1011042 |
|
_database_code_amcsd 0017944 |
|
6.02 5.93 6.02 90 67.87 90 P2_1/c |
|
atom x y z |
|
Fe1 -.3 .015 .3 |
|
Sb1 .148 .13 .132 |
|
S1 -.355 .144 .667 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Livingstonite |
|
Niizeki N, Buerger M J |
|
Zeitschrift fur Kristallographie 109 (1957) 129-157 |
|
The crystal structure of livingstonite, HgSb4S8 |
|
Locality: Guerrido, Mexico |
|
_database_code_amcsd 0010580 |
|
30.25 4 21.48 90 104.20 90 A2/a |
|
atom x y z Biso |
|
Hg1 0 .5 0 1.58 |
|
Hg2 .25 0 0 1.58 |
|
Sb1 .12 .063 .075 1.09 |
|
Sb2 .042 .095 .214 1.14 |
|
Sb3 .131 .064 .425 .94 |
|
Sb4 .208 .078 .287 .21 |
|
S1 .062 .493 .092 1.06 |
|
S2 .229 .028 .18 .5 |
|
S3 .172 .506 .039 1.21 |
|
S4 .149 .521 .222 .47 |
|
S5 .189 .494 .407 .96 |
|
S6 .022 .021 .318 .76 |
|
S7 .078 .507 .46 .89 |
|
S8 .102 .483 .277 .69 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jamesonite |
|
Niizeki N, Buerger M J |
|
Zeitschrift fur Kristallographie 109 (1957) 161-183 |
|
The crystal structure of jamesonite, FePb4Sb6S14 |
|
_database_code_amcsd 0010581 |
|
15.57 18.98 4.03 90 91.8 90 P2_1/a |
|
atom x y z Biso |
|
Fe 0 0 0 1.08 |
|
Pb1 .182 .141 .036 1.21 |
|
Pb2 .425 .240 .062 1.08 |
|
Sb1 .319 .437 .408 .75 |
|
Sb2 .396 .049 .623 .74 |
|
Sb3 .130 .340 .620 1.05 |
|
S1 .419 .395 .968 .21 |
|
S2 .095 .042 .524 .59 |
|
S3 .316 .158 .555 .73 |
|
S4 .226 .297 .076 .73 |
|
S5 .050 .230 .573 .17 |
|
S6 .002 .398 .052 .71 |
|
S7 .285 .004 .027 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bustamite |
|
Peacor D R, Buerger M J |
|
Zeitschrift fur Kristallographie 117 (1962) 331-343 |
|
Determination and refinement of the crystal structure of bustamite, CaMnSi2O6 |
|
Locality: Franklin, New Jersey, USA |
|
_database_code_amcsd 0010598 |
|
15.412 7.157 13.824 89.48 94.85 102.93 F-1 |
|
atom x y z occ Biso |
|
Ca1 .0994 .1583 .3785 .69 |
|
Mn1 .1009 .6725 .3733 .56 |
|
Mn2 .25 0 .25 .56 |
|
Ca3 .25 .5 .25 .73 |
|
Si1 .0884 .2003 .1343 .34 |
|
Si2 .0888 .6454 .1325 .32 |
|
Si3 .1975 .9805 .0218 .16 |
|
O1 .2158 .9758 .4027 .68 |
|
O2 .2018 .4840 .4069 .57 |
|
O3 .1563 .1838 .2293 .48 |
|
O4 .1509 .7206 .2315 .50 |
|
O5 .0131 .3964 .3549 .64 |
|
O6 .0140 .8513 .3717 .66 |
|
O7 .1287 .1240 .0393 .57 |
|
O8 .1364 .7625 .0411 .29 |
|
O9 .0926 .4250 .1147 1.34 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jeppeite |
|
Cid-Dresdner H, Buerger M J |
|
Zeitschrift fur Kristallographie 117 (1962) 411-430 |
|
The crystal structure of potassium hexatitanate K2Ti6O13 |
|
Locality: synthetic |
|
_database_code_amcsd 0010602 |
|
15.582 3.82 9.112 90 99.764 90 C2/m |
|
atom x y z Biso |
|
K .4540 0 .2474 1.11 |
|
Ti1 .1142 0 .0980 .47 |
|
Ti2 .1716 0 .4386 .6 |
|
Ti3 .2325 0 -.2238 .5 |
|
O1 0 0 0 .6 |
|
O2 .2370 0 .237 .6 |
|
O3 .0764 0 .291 .6 |
|
O4 .2964 0 -.428 .2 |
|
O5 .1330 0 -.384 .4 |
|
O6 .3591 0 -.109 .4 |
|
O7 .1677 0 -.083 .6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pharmacosiderite |
|
Buerger M J, Dollase W A, Garaycochea-Wittke I |
|
Zeitschrift fur Kristallographie 125 (1967) 92-108 |
|
The structure and composition of the mineral pharmacosiderite |
|
Note: the K atom could not be located |
|
Locality: Cornwall, England |
|
_database_code_amcsd 0010644 |
|
7.9816 7.9816 7.9816 90 90 90 P-43m |
|
atom x y z occ Biso |
|
Fe .1426 .1426 .1426 1.1 |
|
As .5 0 0 1.5 |
|
O1 .1223 .1223 .3787 1.8 |
|
O2 .8847 .8847 .8847 1.2 |
|
Wat3 .068 .5 .5 .5 3.3 |
|
Wat4 .694 .694 .694 .5 2.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Londonite |
|
Taxer K J, Buerger M J |
|
Zeitschrift fur Kristallographie 125 (1967) 423-436 |
|
The crystal struture of rhodizite |
|
Note: name of mineral altered according to IMA decision in 1999 |
|
to name the Cs dominant phase: londonite |
|
Locality: Manjaka, Madagascar |
|
_database_code_amcsd 0010650 |
|
7.319 7.319 7.319 90 90 90 P-43m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cs 0 0 0 1.02 .0048 .0048 .0048 0 0 0 |
|
B .2469 .5 0 .8 |
|
Be .749 .749 .749 1.4 .0068 .0068 .0068 .0003 .0003 .0003 |
|
Al .3603 .3603 .3603 .55 .0026 .0026 .0026 .0002 .0002 .0002 |
|
O1 .6203 .6203 .6203 .51 .0015 .0015 .0015 .0017 .0017 .0017 |
|
O2 .3643 .3643 .1001 .32 .0013 .0013 .0020 .0011 -.0003 .0011 |
|
O3 .1342 .1342 .5996 .75 .0029 .0029 .0048 .0024 .0001 .0024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba3(VO4)2 |
| |
Susse P, Buerger M J |
|
Zeitschrift fur Kristallographie 131 (1970) 161-174 |
|
The struture of of Ba3(VO4)2 |
|
_database_code_amcsd 0010708 |
|
7.837 7.837 7.837 43.14 43.14 43.14 R-32/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bal 0 0 0 1.65 .01662 .01662 .01662 -.00762 -.00762 -.00762 |
|
Ba2 .20525 .20525 .20525 0.96 .01006 .01006 .01006 -.00434 -.00434 -.00434 |
|
V .40758 .40758 .40758 1.42 .01419 .01419 .01419 -.00667 -.00667 -.00667 |
|
O1 .3278 .3278 .3278 2.5 .02541 .02541 .02541 -.01164 -.01164 -.01164 |
|
O2 .2735 .2735 .7566 1.0 .01059 .01059 .00953 -.00529 -.00423 -.00423 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Buerger M, Klein G, Hamburger G |
| |
Geological Society of America, Bulletin 57 (1946) 1182-1183 |
|
Structure of Nepheline |
|
_cod_database_code 1008761 |
|
_database_code_amcsd 0016638 |
|
10.05 10.05 8.38 90 90 120 P6_3 |
|
atom x y z |
|
Na1 0 0 0 |
|
Si1 1/3 2/3 .82 |
|
Al1 1/3 2/3 .18 |
|
O1 1/3 2/3 0 |
|
Na2 .01 .43 0 |
|
Si2 .09 1/3 1/3 |
|
Al2 .09 1/3 2/3 |
|
O2 .02 1/3 .5 |
|
O3 .17 .52 .75 |
|
O4 .17 .52 .25 |
|
O5 .25 .28 .25 |
|
O6 .25 .28 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rhodizite |
|
Buerger M J, Taxer K |
| |
Science 152 (1966) 500-502 |
|
Rhodizite. Structure and composition |
|
Locality: Manjaka, Madagascar |
|
_database_code_amcsd 0015418 |
|
7.319 7.319 7.319 90 90 90 P-43m |
|
atom x y z Biso |
|
Cs 0 0 0 1.02 |
|
Al .3575 .3575 .3575 .55 |
|
Be .755 .755 .755 1.4 |
|
B .245 .5 0 .8 |
|
O1 .6195 .6195 .6195 .51 |
|
O2 .3635 .3635 .1017 .32 |
|
O3 .1339 .1339 .6019 .75 |
|
|
| 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.
