|
Hydrogarnet |
| |
Schropfer L, Bartl H |
| |
European Journal of Mineralogy 5 (1993) 1133-1144 |
|
Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 |
|
Sample: specimen C12A7H15, intermediate phase resulting from the |
|
decomposition of hydrogarnet. Ca12Al14O33(H2O)15 |
|
_database_code_amcsd 0006504 |
|
12.374 12.374 12.374 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 1/4 1/8 .048 .048 .048 0 .000 0 |
|
Al1 0 0 0 .057 .057 .057 .000 .000 .000 |
|
Al2 -1/8 0 1/4 .5 .04 .045 .045 .000 .000 .000 |
|
O -.0320 .0518 .1419 .6875 .065 .052 .062 .001 -.016 -.006 |
|
Wat -.0320 .0518 .1419 .3125 .065 .052 .062 .001 -.016 -.006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogarnet |
| |
Schropfer L, Bartl H |
| |
European Journal of Mineralogy 5 (1993) 1133-1144 |
|
Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 |
|
Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks. |
|
_database_code_amcsd 0006505 |
|
12.458 12.458 12.458 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 1/4 1/8 .025 .025 .029 .004 0 0 |
|
Al1 0 0 0 .030 .030 .030 0 0 0 |
|
Al2 -1/8 0 1/4 .283 .012 .032 .032 0 0 0 |
|
O -.0295 .0522 .1406 .031 .029 .034 .002 -.002 .001 |
|
H -.082 .048 .166 .800 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Strengite |
 |
Taxer K, Bartl H |
| |
Crystal Research and Technology 39 (2004) 1080-1088 |
|
On the dimorphy between the variscite and clinovariscite group: refined |
|
finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O |
|
Locality: Kreuzberg, Pleystein, Barvaria |
|
Note: x(O3) corrected to match reported bond lengths |
|
_database_code_amcsd 0012324 |
|
8.722 9.878 10.1187 90 90 90 Pbca |
|
atom x y z Uiso |
|
Fe .15163 .32927 .13285 .006 |
|
P .03169 .64545 .14834 .0052 |
|
O1 .0069 .2051 .2155 .0099 |
|
O2 .0158 .4908 .1488 .0088 |
|
O3 .3020 .1797 .1109 .0105 |
|
O4 .0809 .2938 -.0470 .0107 |
|
O5 .2652 .8891 .3126 .0116 |
|
O6 .3347 .4470 .0600 .0147 |
|
H1 .169 .907 .320 .04 |
|
H2 .357 .433 -.022 .04 |
|
H3 .285 .828 .370 .02 |
|
H4 .312 .532 .062 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Strengite |
|
Taxer K, Bartl H |
| |
Crystal Research and Technology 39 (2004) 1080-1088 |
|
On the dimorphy between the variscite and clinovariscite group: refined |
|
finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O |
|
Locality: Kreuzberg, Pleystein, Barvaria |
|
_database_code_amcsd 0012325 |
|
5.335 9.808 8.720 90 90.54 90 P2_1/n |
|
atom x y z Uiso |
|
Fe .09162 .82617 .19174 .0053 |
|
P -.0868 .14919 .18397 .0054 |
|
O1 -.2010 .7058 .2169 .0108 |
|
O2 -.1163 -.0066 .1698 .0089 |
|
O3 .3344 .6776 .2354 .0123 |
|
O4 .0943 .7813 -.0267 .0133 |
|
O5 .4122 .3655 .0724 .027 |
|
O6 .3913 .9513 .1827 .027 |
|
H1 -.051 .453 .3302 .02 |
|
H2 .285 .335 .0219 .02 |
|
H3 .146 .533 .2925 .02 |
|
H4 .537 .348 .0136 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mayenite |
|
Bartl H, Scheller T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1970 (1970) 547-552 |
|
Zur struktur des 12CaO*7Al2O3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014739 |
|
11.989 11.989 11.989 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca 0 .25 .1397 .0015 .0015 .0019 .0001 0 0 |
|
Al1 .0187 .0187 .0187 .0010 .0010 .0010 .0000 .0000 .0000 |
|
Al2 -.125 0 .25 .0006 .0007 .0007 0 0 0 |
|
O1 .151 -.037 .057 .0018 .0017 .0014 .0009 .0003 .0004 |
|
O2 -.064 -.064 -.064 .0013 .0013 .0013 .0000 .0000 .0000 |
|
O3 .337 0 .25 .083 .003 .001 .002 0 0 .001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs2PtCl4 |
| |
Rodek E, Bartl H, Sterzel W, Platte C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1979 (1979) 81-85 |
|
Kristallstrukturuntersuchung an Cs2PtCl4 |
|
_database_code_amcsd 0014760 |
|
10.404 10.133 9.9598 90 90 90 Cmcm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs .2239 .2579 .25 .0356 .0408 .0266 -.0035 0 0 |
|
Pt 0 0 0 .0214 .0213 .0202 0 0 -.0002 |
|
Cll .2205 0 0 .0253 .0311 .0435 0 0 .0025 |
|
Cl2 0 .2260 .9728 .0334 .0251 .0419 0 0 .0007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rb2PtBr4*H2O |
| |
Rodek E, Sterzel W, Bartl H, Schuckmann W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1979 (1979) 277-281 |
|
Kristallstruktur von Rb2PtBr4*H2O |
|
_database_code_amcsd 0014761 |
|
14.112 10.885 6.917 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb .3719 .5252 .7158 .0372 .0489 .0259 -.0009 .0037 -.0001 |
|
Pt .1225 .75 .7205 .0237 .0252 .0129 0 .0006 0 |
|
Br1 .1223 .9735 .7179 .0439 .0290 .0243 .0015 .0096 -.0001 |
|
Br2 .2720 .25 .9420 .0408 .0394 .0236 0 -.0121 0 |
|
Br3 .5208 .75 .4942 .0364 .0375 .0201 0 -.0131 0 |
|
Wat .1383 .25 .4588 .0820 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Newberyite |
|
Bartl H, Catti M, Joswig W, Ferraris G |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1983) 187-194 |
|
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single |
|
crystal neutron diffraction |
|
Locality: synthetic |
|
_database_code_amcsd 0015697 |
|
10.203 10.678 10.015 90 90 90 Pbca |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P -.0091 .1328 .1536 .0061 .0097 .0089 .0001 .0006 .0001 |
|
Mg .2972 .2468 .0862 .0059 .0101 .0083 -.0004 -.0002 .0016 |
|
O1 -.0881 .1995 .2575 .0142 .0184 .0135 .0026 .0044 -.0046 |
|
O2 -.0517 .1615 .0100 .0108 .0168 .0094 .0038 -.0011 -.0008 |
|
O3 .1386 .1533 .1678 .0067 .0172 .0117 -.0028 -.0014 .0026 |
|
O4 -.0337 -.0129 .1781 .0153 .0105 .0177 -.0016 .0057 .0000 |
|
Ow1 .1670 .3131 -.0616 .0130 .0310 .0142 -.0036 -.0033 .0061 |
|
Ow2 .2495 .4131 .1895 .0160 .0128 .0237 .0002 .0067 -.0025 |
|
Ow3 .3540 .0926 -.0327 .0350 .0151 .0195 -.0003 .0043 -.0040 |
|
H1 .1779 .3193 -.1573 .0407 .0371 .0215 -.0018 .0010 .0024 |
|
H2 .0799 .2788 -.0497 .0199 .0578 .0404 -.0097 -.0033 .0079 |
|
H3 .2913 .4935 .1766 .0293 .0234 .0343 -.0052 .0038 -.0002 |
|
H4 .1663 .4306 .2310 .0227 .0290 .0362 .0027 .0085 -.0020 |
|
H5 .3522 .1069 -.1252 .0769 .0425 .0290 .0042 .0052 -.0038 |
|
H6 .3461 .0042 -.0203 .0645 .0248 .0487 -.0010 .0031 .0021 |
|
H7 -.0026 -.0700 .1052 .0262 .0190 .0289 -.0010 .0045 -.0011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vivianite |
|
Bartl H |
| |
Zeitschrift fur Analytische Chemie 333 (1989) 401-403 |
|
Water of crystallization and its hydrogen-bonded crosslinking in vivianite |
|
Fe3(PO4)2*8H2O; a neutron diffraction investigation |
|
_database_code_amcsd 0015722 |
|
10.021 13.441 4.721 90 102.84 90 I2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 0 0 0 .0132 .0262 .0366 0 .0009 0 |
|
Fe2 .5 .1102 .5 .0166 .0237 .0327 0 -.0035 0 |
|
P .3143 0 .9402 .0112 .0257 .0284 0 -.0082 0 |
|
O1 .1578 0 .7947 .0106 .0318 .0359 0 -.0075 0 |
|
O2 .3910 0 .6927 .0190 .0266 .0321 0 -.0005 0 |
|
O3 .3449 .0955 .1216 .0175 .0256 .0335 -.0006 -.0056 -.0022 |
|
Ow4 .1014 .8830 .3021 .0204 .0308 .0366 .0005 -.0026 -.0022 |
|
Ow5 .3952 .7755 .6829 .0286 .0296 .0430 -.0026 -.0010 .0038 |
|
H41 .3107 .3713 .2503 .0294 .0528 .0656 -.0085 .0082 -.0050 |
|
H42 .3728 .4158 .0075 .0347 .0558 .0338 -.0043 -.0094 .0035 |
|
H51 .8691 .3012 .3503 .0473 .0663 .0451 -.0006 .0106 -.0022 |
|
H52 .9518 .2182 .2425 .0617 .0362 .0636 .0184 .0011 .0068 |
|
|
| 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.
