|
Biringuccite |
 |
Corazza E, Menchetti S, Sabelli C |
 |
American Mineralogist 59 (1974) 1005-1015 |
|
The crystal structure of biringuccite, Na4[B10O16(OH)2].2H2O |
|
_database_code_amcsd 0000418 |
|
11.1955 6.5607 20.7566 90 93.891 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .0582 .5021 .2243 .0027 .0130 .0011 -.0001 -.0002 .0016 |
|
Na2 .4394 .1123 .2650 .0032 .0100 .0009 -.0002 .0001 .0009 |
|
Na3 .1531 .5519 .0447 .0032 .0181 .0013 .0011 -.0003 -.0013 |
|
Na4 .4717 .8478 .0948 .0037 .0117 .0008 -.0010 .0003 -.0004 |
|
B1 .2594 .7871 .1648 .0020 .0065 .0004 .0003 .0004 -.0001 |
|
B2 .2029 .1443 .1691 .0018 .0039 .0005 .0016 .0000 -.0002 |
|
B3 .0419 .8854 .1448 .0012 .0013 .0008 -.0002 .0002 -.0003 |
|
B4 .8910 .8321 .0527 .0025 .0022 .0007 .0013 .0001 .0000 |
|
B5 .8399 .7129 .1623 .0009 .0026 .0008 -.0001 .0002 .0001 |
|
B6 .7034 .0024 .1852 .0016 .0065 .0005 -.0004 .0003 .0001 |
|
B7 .7600 .3537 .1740 .0016 .0044 .0007 -.0002 .0004 -.0002 |
|
B8 .5473 .2560 .1454 .0012 .0013 .0008 .0001 .0002 .0003 |
|
B9 .4216 .3173 .0448 .0017 .0064 .0006 -.0018 .0000 .0001 |
|
B10 .3467 .4326 .1491 .0008 .0030 .0009 -.0005 .0002 .0002 |
|
O1 .3509 .6534 .1687 .0013 .0032 .0011 .0003 .0000 -.0001 |
|
O2 .2911 .9899 .1748 .0018 .0013 .0018 .0001 .0001 -.0003 |
|
O3 .2324 .3425 .1675 .0021 .0039 .0009 -.0005 .0002 .0002 |
|
O4 .1444 .7376 .1465 .0012 .0062 .0009 .0004 -.0002 -.0004 |
|
O5 .0842 .0896 .1657 .0021 .0042 .0012 -.0004 .0002 .0001 |
|
O6 .9519 .8115 .1839 .0015 .0033 .0006 -.0004 .0000 -.0001 |
|
O7 .9987 .9050 .0757 .0022 .0105 .0008 -.0010 .0001 .0006 |
|
O8 .8168 .7285 .0905 .0018 .0104 .0006 -.0007 .0000 .0002 |
|
Oh9 .8532 .8572 -.0107 .0026 .0114 .0008 -.0002 .0000 .0002 |
|
O10 .8494 .4951 .1792 .0011 .0044 .0010 -.0008 .0001 -.0002 |
|
O11 .7349 .8029 .1911 .0021 .0049 .0010 .0007 .0002 .0000 |
|
O12 .7901 .1547 .1908 .0023 .0023 .0017 -.0005 .0000 .0003 |
|
O13 .5853 .0516 .1735 .0014 .0060 .0009 .0000 -.0001 .0001 |
|
O14 .6471 .4022 .1519 .0016 .0069 .0009 -.0010 -.0003 .0006 |
|
O15 .4505 .3327 .1795 .0016 .0049 .0006 .0004 .0000 .0001 |
|
O16 .5159 .2176 .0761 .0018 .0084 .0007 .0010 -.0002 -.0002 |
|
Oh17 .4102 .2959 -.0210 .0022 .0142 .0007 .0011 -.0001 -.0003 |
|
O18 .3435 .4285 .0778 .0026 .0087 .0007 .0010 .0001 .0000 |
|
OW1 .3087 .8243 .0150 .0048 .0127 .0016 .0015 .0008 .0008 |
|
OW2 -.0412 .3782 .0613 .0064 .0137 .0015 .0017 .0011 .0000 |
|
H1 .360 .820 -.015 4.0 |
|
H2 .280 .970 .010 4.0 |
|
H3 -.029 .230 .067 4.0 |
|
H4 -.055 .415 .103 4.0 |
|
H5 .910 .930 -.035 4.0 |
|
H6 .343 .310 -.037 4.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kurnakovite |
|
Corazza E |
 |
Acta Crystallographica B30 (1974) 2194-2199 |
|
The crystal structure of kurnakovite: a refinement |
|
Locality: California, USA |
|
_database_code_amcsd 0009513 |
|
8.3479 10.6068 6.4447 98.846 108.981 105.581 P-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .6530 .2321 .8015 .70 .0028 .0020 .0030 .0007 -.0003 .0001 |
|
B1 .7690 .2274 .3509 .76 .0023 .0017 .0055 .0005 -.0005 .0000 |
|
B2 .1105 .3529 .5008 .73 .0029 .0018 .0039 .0008 -.0001 -.0008 |
|
B3 .9826 .1053 .3116 .75 .0036 .0018 .0035 .0011 -.0004 .0001 |
|
O1 .9215 .3212 .9191 1.78 .0046 .0070 .0068 .0002 .0009 .0008 |
|
O2 .5943 .4091 .7761 1.52 .0067 .0031 .0156 .0023 .0042 .0027 |
|
O3 .3833 .1349 .6685 1.33 .0031 .0034 .0124 .0011 .0002 .0027 |
|
O4 .6697 .0351 .8077 1.13 .0052 .0032 .0055 .0017 .0004 .0004 |
|
O5 .6506 .1926 .4737 1.00 .0035 .0030 .0043 .0001 .0003 -.0002 |
|
O6 .6713 .2632 .1415 1.24 .0062 .0049 .0053 .0037 .0016 .0020 |
|
O7 .8096 .1030 .2675 .89 .0032 .0019 .0060 .0007 -.0003 -.0004 |
|
O8 .9334 .3339 .5057 .90 .0032 .0016 .0076 .0002 .0014 -.0007 |
|
O9 .1496 .4402 .3546 1.18 .0060 .0025 .0089 .0013 .0030 .0009 |
|
O10 .2496 .4093 .7348 1.63 .0050 .0046 .0072 .0015 -.0024 -.0021 |
|
O11 .1284 .2214 .4130 1.03 .0032 .0017 .0092 .0008 -.0001 -.0005 |
|
O12 .0160 .9886 .2486 1.38 .0048 .0021 .0129 .0015 .0007 -.0012 |
|
O13 .2869 .2434 .0522 1.99 .0110 .0055 .0126 .0037 .0053 .0021 |
|
H1 .994 .359 .060 1.1 |
|
H2 .964 .335 .810 1.8 |
|
H3 .668 .473 .736 1.0 |
|
H4 .491 .420 .745 1.1 |
|
H5 .314 .174 .597 2.3 |
|
H6 .328 .058 .695 1.3 |
|
H7 .752 .027 .760 1.2 |
|
H8 .702 .039 .942 1.6 |
|
H9 .562 .137 .399 1.1 |
|
H10 .590 .266 .145 1.8 |
|
H11 .128 .498 .406 2.8 |
|
H12 .261 .483 .796 1.8 |
|
H13 .937 .926 .186 2.1 |
|
H14 .263 .257 .159 2.5 |
|
H15 .269 .298 .973 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
|
| |
|
Nasinite |
|
Corazza E, Menchetti S, Sabelli C |
|
Acta Crystallographica B31 (1975) 2405-2410 |
|
The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0009544 |
|
12.015 6.518 11.173 90 90 90 Pna2_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .4715 .6484 .5 2.56 .00403 .01403 .00595 .00102 .00174 .00192 |
|
Na2 .2465 .4734 .1767 2.15 .00411 .01066 .00453 .00056 -.00042 .00012 |
|
B1 .2165 .4839 .5064 .82 .00164 .00388 .00172 -.00014 -.00024 -.00011 |
|
B2 .1568 .1485 .4217 .89 .00202 .00419 .00156 .00024 .00001 -.00007 |
|
B3 .0191 .3792 .5162 1.12 .00190 .00652 .00231 .00014 .00010 -.00026 |
|
B4 .2034 .0372 .2135 .80 .00111 .00468 .00195 -.00002 -.00009 .00016 |
|
B5 .2141 -.2086 .3723 .91 .00173 .00531 .00169 .00015 -.00016 .00015 |
|
O1 .0998 .5155 .5492 1.22 .00174 .00589 .00332 -.00026 .00029 -.00182 |
|
O2 .2931 .5794 .5942 1.05 .00235 .00524 .00179 -.00091 -.00038 .00024 |
|
O3 .1663 .1812 .2904 1.22 .00359 .00478 .00154 .00115 -.00007 .00011 |
|
O4 .0399 .2024 .4553 1.24 .00170 .00652 .00327 -.00024 .00018 -.00143 |
|
O5 .2364 .2664 .4892 .94 .00170 .00381 .00241 .00008 -.00034 -.00006 |
|
O6 .2354 -.4080 .3933 1.18 .00340 .00446 .00166 .00067 .00018 .00000 |
|
O7 .1723 -.0715 .4511 1.07 .00291 .00386 .00177 .0004 .00024 .00017 |
|
Oh8 -.0867 .4314 .5511 2.54 .00172 .01406 .00847 -.00057 .00074 -.00697 |
|
O9 .2384 -.1528 .2542 1.57 .00470 .00602 .00192 .00223 .00097 .00091 |
|
Ow1 .5715 .6639 .7026 2.86 .00466 .01706 .00601 .00089 .00200 .00288 |
|
Ow2 .4772 .7935 .3045 4.74 .00427 .04958 .00668 -.00078 -.00055 .00798 |
|
H1 -.133 .362 .533 2.5 |
|
H2 .569 .791 .666 8.5 |
|
H3 .532 .663 .757 6.0 |
|
H4 .418 .786 .271 7.8 |
|
H5 .524 .828 .264 9.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Inderite |
|
Corazza E |
|
Acta Crystallographica B32 (1976) 1329-1333 |
|
Inderite: Crystal structure refinement and relationship to kurnakovite |
|
_database_code_amcsd 0009554 |
|
6.8221 13.1145 12.0350 90 104.552 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg .25554 .21593 .11712 1.25 .00701 .00163 .00244 .00010 .00062 .00008 |
|
O1 .68846 .14513 .43446 1.47 .00894 .00219 .00215 -.00038 .00016 -.00028 |
|
O2 .49914 .20971 .25525 1.47 .00756 .00163 .00319 -.00034 -.00015 .00016 |
|
O3 .76635 .08591 .25799 1.38 .00563 .00233 .00294 -.00079 .00143 -.00052 |
|
O4 .45422 .03518 .30389 1.13 .00580 .00183 .00207 -.00057 .00101 -.00011 |
|
O5 .27814 -.11030 .20271 1.46 .00744 .00147 .00388 -.00058 .00168 -.00004 |
|
O6 .54471 -.03606 .13879 1.38 .00512 .00233 .00310 -.00041 .00137 -.00073 |
|
O7 .86228 -.00752 .10960 2.02 .00622 .00460 .00366 -.00156 .00237 -.00154 |
|
O8 .23444 .05904 .11597 1.16 .00576 .00173 .00255 .00005 .00058 .00001 |
|
O9 .42303 .20585 -.00794 3.04 .02537 .00303 .00688 -.00358 .01014 -.00158 |
|
O10 -.01102 .21720 -.01379 2.65 .01199 .00302 .00541 .00191 -.00306 -.00093 |
|
O11 .27596 .37071 .10495 2.14 .01544 .00192 .00363 -.00070 -.00074 .00016 |
|
O12 .06975 .23179 .23651 2.39 .01270 .00393 .00474 -.00119 .00398 -.00083 |
|
O13 .15545 .02048 .41014 2.14 .01029 .00422 .00331 -.00008 .00210 .00024 |
|
B1 .59920 .11845 .31376 1.02 .00496 .00157 .00196 -.00044 .00058 -.00022 |
|
B2 .37922 -.01253 .19274 .97 .00443 .00138 .00219 -.00021 .00088 -.00017 |
|
B3 .72279 .01671 .17064 1.19 .00466 .00219 .00232 -.00040 .00098 -.00011 |
|
H1 .73 .096 .479 1.8 |
|
H2 .577 .263 .271 2.0 |
|
H3 .204 -.109 .248 1.4 |
|
H4 .974 .025 .125 2.4 |
|
H5 .214 .043 .041 2.3 |
|
H6 .493 .253 -.025 2.1 |
|
H7 .442 .143 -.049 2.2 |
|
H8 -.107 .262 -.026 2.0 |
|
H9 -.06 .165 -.067 3.1 |
|
H10 .382 .412 .14 2.5 |
|
H11 .218 .397 .034 2.6 |
|
H12 -.033 .192 .236 3.2 |
|
H13 .129 .245 .306 2.3 |
|
H14 .036 .033 .366 2.6 |
|
H15 .25 .03 .372 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glauberite |
|
Cocco G, Corazza E, Sabelli C |
|
Zeitschrift fur Kristallographie 122 (1965) 175-184 |
|
The crystal structure of glauberite, CaNa2(SO4)2 |
|
Locality: Chinchon (Madrid), Spain |
|
_database_code_amcsd 0018655 |
|
10.158 8.333 8.551 90 112.333 90 C2/c |
|
atom x y z Biso |
|
Na .3621 .0550 .0597 1.63 |
|
Ca 0 .0640 .25 .55 |
|
S .3153 .2858 .3126 .55 |
|
O1 .1618 .2743 .2735 .42 |
|
O2 .3371 .3379 .1579 .48 |
|
O3 .3843 .1305 .3644 .74 |
|
O4 .3741 .4122 .4411 .81 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Syngenite |
|
Corazza E, Sabelli C |
|
Zeitschrift fur Kristallographie 124 (1967) 398-408 |
|
The crystal structure of syngenite, K2Ca(SO4)2*(H2O) |
|
Locality: Kalasz, Galicia |
|
_database_code_amcsd 0010642 |
|
9.77 7.15 6.25 90 104.0 90 P2_1/m |
|
atom x y z Biso |
|
K .3357 .0068 .1947 1.35 |
|
Ca .9679 .25 .3327 .47 |
|
S1 .9897 .25 .8396 .38 |
|
S2 .6373 .25 .2697 .66 |
|
O1 .1191 .25 .0167 1.26 |
|
O2 .2244 .25 .5015 1.05 |
|
O3 .5322 .25 .0586 1.12 |
|
O4 .5650 .25 .4493 1.49 |
|
O5 .7296 .0842 .2837 1.47 |
|
O6 .8687 .25 .9421 1.20 |
|
O7 .9813 .0840 .6959 .89 |
|
H .243 .354 .597 5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dawsonite |
|
Corazza E, Sabelli C, Vannucci S |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 381-397 |
|
Dawsonite: new mineralogical data and structure refinement |
|
Locality: Terlano, Bolzano, Italy |
|
_database_code_amcsd 0018528 |
|
6.759 5.585 10.425 90 90 90 Imma |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al 0 0 .5 .58 .0052 .0034 .0008 0 0 -.0001 |
|
Na .25 .75 .25 1.55 .0115 .0110 .0027 0 .0026 0 |
|
C 0 .25 .2526 .70 .0039 .0067 .0013 0 0 0 |
|
O1 0 .25 .1326 1.26 .0081 .0141 .0012 0 0 0 |
|
O2 0 .0474 .3156 .95 .0089 .0052 .0013 0 0 .0006 |
|
O3 .1811 .25 .5250 .74 .0050 .0054 .0015 0 .0003 0 |
|
H .275 .25 .478 1.18 |
|
|
| 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.
