American Mineralogist Crystal Structure Database

3 matching records for this search.

Newberyite
Download hom/newberyite.pdf
Abbona F, Boistelle R, Haser R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=2514
Acta Crystallographica B35 (1979) 2514-2518
Hydrogen bonding in MgHPO4*3H2O (newberyite)
_database_code_amcsd 0009693
10.203 10.678 10.015 90 90 90 Pbca
atom       x      y      z
Mg    .29694 .24663 .08620
P    -.00899 .13287 .15372
O3    -.0884  .1996  .2578
O4    -.0514  .1617  .0098
O5     .1392  .1535  .1681
O6    -.0341 -.0128  .1783
O7     .1671  .3129 -.0614
O8     .2500  .4125  .1894
O9     .3539  .0924 -.0319
H1      .174   .310  -.161
H2      .080   .290  -.053
H3      .278   .485   .167
H4      .175   .429   .232
H5      .313   .088  -.097
H6      .351  -.004  -.004
H7     -.016  -.062   .098
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Struvite
Download hom/struvite.pdf
Abbona F, Calleri M, Ivaldi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=223
Acta Crystallographica B40 (1984) 223-227
Synthetic struvite MgNH4PO4*6H2O: Correct polarity
and surface features of some complementary forms
Locality: synthetic
_database_code_amcsd 0019944
6.955 6.142 11.218 90 90 90 Pmn2_1
atom      x     y     z  Uiso
Mg        0 .6232 .6283 .0176
N         0 .6341 .2673 .0332
H1        0  .761  .224 .0397
H2        0  .666  .348 .0397
H3     .895  .551  .248 .0397
P         0 .0065 .0005 .0043
O1        0 .0220 .1378 .0226
O2        0 .2380 .9465 .0218
O3    .8179 .8863 .9584 .0211
OW1       0 .3163 .7137 .0376
H11       0  .305  .785 .0449
H12       0  .184  .685 .0449
OW2       0 .9214 .5356 .0406
H21    .897  .986  .503 .0489
OW3   .7825 .7369 .7382 .0265
H31    .815  .795  .806 .0319
H32    .720  .815  .702 .0319
OW4   .7892 .5147 .5148 .0321
H41    .768  .387  .512 .0385
H42    .702  .590  .493 .0385
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sainfeldite
Download hom/sainfeldite.pdf
Ferraris G, Abbona F
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 95 (1972) 33-41
The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite)
Locality: synthetic
_database_code_amcsd 0012134
18.781 9.820 10.191 90 97.02 90 C2/c
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca1      .5 .39531    .75      .000511 .002048 .001735  .000000 -.000027  .000000
Ca2  .32106 .08094 .18553      .000684 .001763 .002370 -.000082  .000159  .000227
Ca3  .32375 .46774 .14044      .000590 .001737 .002444 -.000096  .000106 -.000503
As1  .41471 .31962 .41581      .000482 .001659 .001515 -.000027 -.000040 -.000076
As2  .65932 .24002 .62295      .000439 .001011 .001417  .000068  .000027 -.000050
O2    .4250  .4313  .2970      .001015 .003241 .002468 -.000382  .000172  .001258
O3    .3388  .2324  .3657      .000691 .004226 .003568 -.001011  .000027 -.001057
O4    .4128  .3940  .5635      .000950 .003992 .001100  .000423 -.000106 -.000982
O5    .6624  .2583  .4591      .001086 .002489 .001784  .000014  .000000  .000025
O6    .7029  .0956  .6740      .000820 .001348 .003959  .000519  .000504  .001107
O7    .7017  .3747  .7009      .000583 .002618 .004130 -.000451  .000199 -.001359
O8    .5726  .2339  .6523      .000612 .002230 .003372 -.000068  .000305 -.000126
Oh1   .4829  .2007  .4305      .001360 .004589 .004570  .001516 -.000544 -.001082
Ow1   .2383  .4115  .4725      .001108 .001944 .003250  .000041  .000491  .000025
Ow2   .5708  .0207  .8395      .001475 .010214 .011436  .001680  .001286  .002039
H1     .515   .230   .500  2.4
H2     .258   .358   .438  1.4
H3     .212   .358   .520  2.1
H4     .564   .110   .780  7.2
H5     .532  -.030   .820  5.6
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: 3
View in amc, download in amc

Return to AMCSD Home Page