American Mineralogist Crystal Structure Database

1 matching records for this search.

Calciojohillerite
 
Pekov I V, Koshlyakova N N, Agakhanov A A, Zubkova N V, Belakovskiy D I, Vigasina M F,
Turchkova A G, Sidorov E G, Pushcharovsky D Y
 
Mineralogical Magazine 85 (2021) 215-223
New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka,
Russia. XV. Calciojohillerite, NaCaMgMg2(AsO4)3, a member of the alluaudite group
Locality: Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0020958
11.8405 12.7836 6.69165 90 112.425 90 C2/c
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaA1     .5       0      0  .70  .0192  .0245  .0105  .0145  -.0029 -.0016   .0002
NaA1     .5       0      0  .25  .0192  .0245  .0105  .0145  -.0029 -.0016   .0002
CuA1'     0   .5027    .25  .02   .006
NaA2'     0 -.00980    .25  .99  .0261  .0133  .0507  .0134    .000  .0040    .000
KA2'      0 -.00980    .25  .01  .0261  .0133  .0507  .0134    .000  .0040    .000
MgM1      0  .26340    .25  .95  .0076  .0076  .0071  .0089    .000  .0040    .000
MnM1      0  .26340    .25  .05  .0076  .0076  .0071  .0089    .000  .0040    .000
MgM2 .28625  .65740 .37724  .85 .00519  .0052  .0052  .0054 -.00007  .0023 -.00006
FeM2 .28625  .65740 .37724 .125 .00519  .0052  .0052  .0054 -.00007  .0023 -.00006
AlM2 .28625  .65740 .37724 .025 .00519  .0052  .0052  .0054 -.00007  .0023 -.00006
As1       0  .71086    .25  .95 .00595 .00652 .00518 .00573    .000 .00187    .000
P1        0  .71086    .25  .05 .00595 .00652 .00518 .00573    .000 .00187    .000
As2  .23151  .88687 .12070  .95 .00563 .00588 .00538 .00556 -.00004 .00211 -.00014
P2   .23151  .88687 .12070  .05 .00563 .00588 .00538 .00556 -.00004 .00211 -.00014
O1   .46311  .71706  .5239       .0101  .0092  .0134  .0081  -.0017  .0037  -.0020
O2   .10889  .62355  .2629       .0150  .0102  .0117  .0196   .0028  .0019  -.0053
O3   .34097  .67044  .1214       .0096  .0111  .0099  .0079  -.0032  .0039  -.0018
O4   .11777  .39710  .3199       .0111  .0072  .0099  .0157  -.0002  .0038  -.0003
O5   .21645  .81611  .3204       .0106  .0129  .0110  .0083   .0000  .0047   .0007
O6   .33719  .50319  .3958       .0114  .0123  .0074  .0148  -.0017  .0056   .0012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 1
View in amc, download in amc

Return to AMCSD Home Page