|
Kalborsite |
 |
Malinovskii Y A, Belov N V |
| |
Doklady Akademii Nauk SSSR 252 (1980) 611-615 |
|
Crystal structure of kalborsite |
|
_database_code_amcsd 0012467 |
|
9.851 9.851 13.060 90 90 90 P-42_1c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 0 0 .2479 .004637 .004302 .001964 .001237 0 0 |
|
K2 .2196 .2182 .0639 .002499 .006647 .002067 .000335 .000389 .000155 |
|
Al .1549 .3901 .3134 .000309 .001520 .000762 .001030 .000466 -.000369 |
|
Si1 .3860 .1587 .3067 .000696 .002267 .001070 -.000464 .000253 -.000233 |
|
Si2 0 .5 .0057 .001778 .001056 .000835 .000824 0 0 |
|
O1 .3026 .2998 .3163 .005462 -.000464 .002404 .000206 -.001069 .000505 |
|
O2 .0905 .4027 .4384 .006956 .006234 .000689 .002241 .001865 -.000466 |
|
O3 .4017 .0974 .4222 .004070 .003632 .001129 .003091 .000466 .001302 |
|
O4 .3113 .0484 .2325 .001675 .001623 .001686 .000773 -.000505 -.001768 |
|
O5 .0431 .3051 .2302 .004972 .003839 .003225 -.000953 .000311 -.000933 |
|
B 0 0 .5 .002834 .002550 .001671 0 0 0 |
|
Oh6 .4446 .3936 .0625 .005822 .003143 .004881 .003066 -.000136 -.000874 |
|
Cl 0 0 0 .004019 .004148 .002301 0 0 0 |
|
H .051 .122 .564 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nabaphite |
|
Baturin S V, Malinovskii Y A, Belov N V |
| |
Doklady Akademii Nauk SSSR 266 (1982) 624-627 |
|
The crystal structure of nabaphite NaBa[PO4]*9H2O |
|
_database_code_amcsd 0012473 |
|
10.7116 10.7116 10.7116 90 90 90 P2_13 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6808 .6808 .6808 2.24 .0048 .0048 .0048 -.0009 -.0009 -.0009 |
|
Ba .052 .052 .052 1.54 .0034 .0034 .0034 -.0001 -.0001 -.0001 |
|
P .428 .428 .428 1.41 .0030 .0030 .0030 .0001 .0001 .0001 |
|
O4 .345 .345 .345 .86 |
|
O5 .511 .511 .511 .14 |
|
O6 .5605 .4379 .3663 .28 |
|
O7 .388 .501 .307 .39 |
|
O8 .555 .363 .455 .33 |
|
Wat1 .4017 .0885 .3383 2.91 .0087 .0043 .0049 0 -.0014 -.0011 |
|
Wat2 .2989 .1434 .041 2.70 .0038 .0088 .0053 -.0017 -.0003 -.0020 |
|
Wat3 .5961 .2879 .159 2.32 .0031 .0056 .0059 .0015 .0010 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Makarochkinite |
| |
Yakubovich O V, Malinovskii Y A, Polyakov V O |
| |
Kristallografiya 35 (1990) 1388-1394 |
|
Crystal structure of makarochkinite |
|
Locality: From type locality, a granite pegmatite in mine 400 |
|
of the Il'menskii National Forest, Russia |
|
_database_code_amcsd 0014190 |
|
10.352 10.744 8.864 105.73 96.16 124.91 P-1 |
|
atom x y z occ Biso |
|
Ca1 .21707 .63163 .39356 .9 1.01 |
|
Na1 .21707 .63163 .39356 .1 1.01 |
|
Ca2 .65229 .60165 .37805 .85 1.12 |
|
Na2 .65229 .60165 .37805 .15 1.12 |
|
Fe3+1 0 0 .5 .80 .70 |
|
Ti1 0 0 .5 .10 .70 |
|
Mg1 0 0 .5 .10 .70 |
|
Fe3+2 0 .5 0 .90 .70 |
|
Ti2 0 .5 0 .10 .70 |
|
Fe2+3 .32197 .85966 .17432 .95 .68 |
|
Mg3 .32197 .85966 .17432 .05 .68 |
|
Fe2+4 .76900 .82155 .14411 .95 .77 |
|
Mg4 .76900 .82155 .14411 .05 .77 |
|
Fe2+5 .09463 .94084 .06155 .90 .69 |
|
Mg5 .09463 .94084 .06155 .10 .69 |
|
Fe2+6 .59473 .94052 .06206 .73 |
|
Fe3+7 .99571 .73865 .26034 .5 .72 |
|
Ti7 .99571 .73865 .26034 .5 .72 |
|
Si1 .46933 .23668 .33228 .4 .56 |
|
Be1 .46933 .23668 .33228 .5 .56 |
|
Al1 .46933 .23668 .33228 .1 .56 |
|
Si2 .98333 .23634 .34350 .8 .59 |
|
Al2 .98333 .23634 .34350 .2 .59 |
|
Si3 .78613 .34289 .24134 .7 .51 |
|
Al3 .78613 .34289 .24134 .3 .51 |
|
Si4 .27318 .33686 .22679 .5 .55 |
|
Be4 .27318 .33686 .22679 .5 .55 |
|
Si5 .64411 .94279 .44510 .55 |
|
Si6 .35651 .55814 .05077 .56 |
|
O1 .3492 .0654 .1644 .86 |
|
O2 .8573 .0658 .1729 .92 |
|
O3 .5547 .9554 .2940 .90 |
|
O4 .0183 .9348 .2672 1.29 |
|
O5 .2417 .8749 .3936 .85 |
|
O6 .7502 .8785 .3899 .87 |
|
O7 .4943 .1960 .4952 .86 |
|
O8 .9549 .7800 .4886 .91 |
|
O9 .8907 .3200 .3799 .91 |
|
O10 .3964 .3382 .3608 .80 |
|
O11 .6585 .1698 .0671 .93 |
|
O12 .1489 .1646 .0622 1.01 |
|
O13 .5266 .7101 .0393 .84 |
|
O14 .0669 .7348 .0644 1.24 |
|
O15 .2459 .6127 .1163 .85 |
|
O16 .7476 .6020 .1323 .85 |
|
O17 .3991 .4973 .1863 .82 |
|
O18 .9421 .5139 .2251 .80 |
|
O19 .1602 .3718 .3186 .90 |
|
O20 .6670 .3697 .3376 .84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pinnoite |
|
Genkina E A, Malinovskii Y A |
| |
Soviet Physics - Crystallography 28 (1983) 475-477 |
|
Refinement of the structure of pinnoite: Location of hydrogen atoms |
|
_database_code_amcsd 0015585 |
|
7.6140 7.6140 8.1898 90 90 90 P4_2 |
|
atom x y z Biso |
|
Mg .2483 .2509 .228 .91 |
|
B1 .3833 .3797 .873 .61 |
|
B2 .1080 .1183 .587 1.12 |
|
O7 0 0 .990 1.10 |
|
O8 .5 .5 .455 .64 |
|
Oh1 .2398 .4812 .803 1.04 |
|
Oh2 .2684 .0166 .639 .89 |
|
Oh3 .3356 .2423 .984 .91 |
|
Oh4 .1594 .2635 .467 1.22 |
|
Oh5 .4818 .2881 .730 .89 |
|
Oh6 .0192 .1992 .723 .87 |
|
H1 .138 .401 .799 1.7 |
|
H2 .364 .107 .651 2.1 |
|
H3 .308 .145 .932 .2 |
|
H4 .188 .367 .520 3.8 |
|
H5 .472 .360 .630 1.9 |
|
H6 .030 .150 .810 2.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Muirite |
|
Malinovskii Y A, Pobedimskaya E A, Belov N V |
| |
Soviet Physics Doklady 20 (1975) 163-164 |
|
Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8 |
|
Locality: Big Creek, Fresno County, California, USA |
|
_database_code_amcsd 0018352 |
|
14.000 14.000 5.625 90 90 90 P4/mmm |
|
atom x y z occ Biso |
|
Ba1 0 0 .255 .5 .69 |
|
Ba2 .334 0 .5 .88 |
|
Ba3 .233 .233 0 .87 |
|
Ca1 .5 .5 .5 .5 1.38 |
|
Ba1 .5 .5 .5 .5 1.38 |
|
Ca2 .5 .136 0 .75 .79 |
|
Ti2 .5 .136 0 .25 .79 |
|
Si .397 .236 .5 .84 |
|
O1 .385 .171 .267 1.69 |
|
O2 .320 .320 .5 3.88 |
|
O3 .5 .292 .5 1.37 |
|
OH1 .223 0 0 .5 .63 |
|
Cl1 .223 0 0 .5 .63 |
|
OH2 .147 .147 .5 .5 .62 |
|
Cl2 .147 .147 .5 .5 .62 |
|
OH3 0 .5 .253 2.47 |
|
OH4 .403 .403 0 2.84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nastrophite |
|
Baturin S V, Malinovskii Y A, Belov N V |
| |
Soviet Physics Doklady 26 (1981) 1023-1026 |
|
The crystal structure of nastrophite Na(Sr,Ba)[PO4]*9H2O |
|
_database_code_amcsd 0015610 |
|
10.559 10.559 10.559 90 90 90 P2_13 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6765 .6765 .6765 2.5 .0054 .0054 .0054 -.0008 -.0008 -.0008 |
|
Sr .0533 .0533 .0533 .94 1.5 .0033 .0033 .0033 0 0 0 |
|
Ba .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
|
Ca .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
|
P .4243 .4243 .4243 1.4 .0032 .0032 .0032 -.0007 -.0007 -.0007 |
|
O4 .3402 .3402 .3402 .44 3.3 |
|
O5 .5544 .4472 .3595 .44 2.4 |
|
O6 .5573 .3780 .4768 .27 2.4 |
|
O7 .5189 .3142 .3982 .25 2.4 |
|
O8 .3850 .4100 .5600 .04 |
|
O9 .3100 .3900 .3400 .187 |
|
Ow1 .3991 .0835 .3464 2.7 .0071 .0058 .0051 -.0004 -.0008 -.0009 |
|
Ow2 .2892 .1332 .0466 2.5 .0043 .0076 .0061 -.0011 -.0004 .0011 |
|
Ow3 .5994 .2910 .1499 2.6 .0062 .0055 .0054 .0013 .0015 .0014 |
|
H1 .39 .18 .38 |
|
H2 .43 .09 .28 |
|
H3 .34 .09 .08 |
|
H4 .33 .23 .06 |
|
H5 .57 .21 .14 |
|
H6 .54 .33 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hsianghualite |
|
Rastsvetaeva R K, Rekhlova O Y, Andrianov V I, Malinovskii Y A |
| |
Soviet Physics Doklady 36 (1991) 11-13 |
|
Crystal structure of hsianghualite |
|
Locality: China |
|
_database_code_amcsd 0015620 |
|
12.864 12.864 12.864 90 90 90 I2_13 |
|
atom x y z Biso |
|
Li1 .4769 .4769 .4769 1.9 |
|
Li2 .2296 .2296 .2296 2.6 |
|
Ca1 .0863 0 .25 1.83 |
|
Ca2 .5 .25 .3445 1.89 |
|
Be .3708 .3296 .0935 1.9 |
|
Si .1239 .1553 .4203 1.67 |
|
O1 .1034 .3934 .0121 1.81 |
|
O2 .0674 .3824 .2077 1.78 |
|
O3 .3584 .1495 .2620 1.86 |
|
O4 .3670 .1824 .4573 1.90 |
|
F1 .3954 .3954 .3954 2.2 |
|
F2 .1454 .1454 .1454 2.1 |
|
|
| 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.
