American Mineralogist Crystal Structure Database

15 matching records for this search.

Fluocerite-(La)
Download hom/fluoceritela.pdf
Cheetham A K, Fender B E F, Fuess H, Wright A F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=94
Acta Crystallographica B32 (1976) 94-97
A powder neutron diffraction study of lanthanum and cerium trifluorides
Locality: synthetic
Note: cell parameters taken from Zalkin et al. Inorg. Chem 5 (1966) 1466-1468
_database_code_amcsd 0009547
7.185 7.185 7.351 90 90 120 P-3c1
atom     x     y     z Biso
La   .6609     0   .25  .24
F1   .3667 .0540 .0824  .70
F2     1/3   2/3 .1855  .70
F3       0     0   .25  .70
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluocerite-(Ce)
 
Cheetham A K, Fender B E F, Fuess H, Wright A F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=94
Acta Crystallographica B32 (1976) 94-97
A powder neutron diffraction study of lanthanum and cerium trifluorides
Locality: synthetic
_database_code_amcsd 0009548
7.131 7.131 7.286 90 90 120 P-3c1
atom     x     y     z Biso
Ce   .6607     0   .25  .29
F1   .3659 .0540 .0824 1.17
F2     1/3   2/3 .1871 1.01
F3       0     0   .25 1.60
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
NaY(SeO3)2
 
Morris R E, Hriljac J A, Cheetham A K
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2013
Acta Crystallographica C46 (1990) 2013-2017
Synthesis and crystal structures of two novel selenites,
NaY(SeO3)2 and NaLa(SeO3)2
_database_code_amcsd 0010201
5.397 8.525 12.765 90 90 90 P2_1cn
atom      x       y      z  Uiso
Y1    .2498  .17579 .08508 .0069
Se1  -.2531 -.03055 .20358 .0084
Se2   .2016  .76504 .08056 .0079
Na1   .2149   .0069  .3806 .0194
O1   -.0202   .2837 -.0253 .0148
O2   -.0346   .5486  .2858 .0134
O3    .6240   .4354  .4832 .0108
O4    .2986   .4061  .1732 .0116
O5    .9439   .1254  .2018 .0103
O6    .5068   .1504  .4850 .0117
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
NaLa(SeO3)2
 
Morris R E, Hriljac J A, Cheetham A K
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2013
Acta Crystallographica C46 (1990) 2013-2017
Synthesis and crystal structures of two novel selenites,
NaY(SeO3)2 and NaLa(SeO3)2
_database_code_amcsd 0010202
6.696 6.761 13.199 90 101.51 90 P2_1/n
atom      x      y      z  Uiso
La1  .65603 .11947 .16376 .0050
Se1   .6044  .1649 .63881 .0068
Se2   .8097  .1478 .43123 .0064
Na1   .8094  .1692  .8835 .0160
O1    .1457  .2195  .8403 .0089
O2    .0994  .0132  .6455 .0101
O3    .4968  .1813  .9662 .0089
O4    .4946  .1694  .7435 .0106
O5    .9243  .2063  .0580 .0138
O6    .2906  .1671  .1705 .0142
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Waimirite-(Y)
 
Cheetham A K, Norman N
 
Acta Chemica Scandinavica A28 (1974) 55-60
The structures of yttrium and bismuth trifluorides by neutron diffraction
Locality: synthetic
_database_code_amcsd 0020020
6.3537 6.8545 4.3953 90 90 90 Pnma
atom     x     y     z Biso
Y    .3673   .25 .0591  .37
F1   .5227   .25 .5910  .89
F2   .1652 .0643 .3755  .57
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2PdO3
 
Laligant Y, Le Bail A, Ferey G, Hervieu M, Raveau B, Wilkinson A, Cheetham A
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 237-246
Synthesis and ab-initio structure determination from X-ray powder data
of Ba2PdO3 with sevenfold coordinated Ba.
Structural correlations with K2NiF4 and Ba2NiF6
_cod_database_code 1000071
_database_code_amcsd 0012519
13.335 4.080 3.8362 90 90 90 Immm
atom     x  y z
Ba   .3539  0 0
Pd       0  0 0
O1       0 .5 0
O2   .1519  0 0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rodolicoite
Download hom/rodolicoite.pdf
Long G J, Cheetham A K, Battle P D
 
Inorganic Chemistry 22 (1983) 3012-3016
Study of the iron-phosphorus-oxygen system by Mossbauer effect,
neutron diffraction, magnetic susceptibility, and analytical electron
microscopy: some pitfalls and solutions in the analysis of a complex mixture
Locality: synthetic
_database_code_amcsd 0012693
5.036 5.036 11.255 90 90 120 P3_121
atom     x     y     z
Fe   .4550     0   1/3
P    .4614     0   5/6
O1   .4217 .3153 .3970
O2   .4081 .2612 .8759
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fe5P4O20H10
 
Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K
 
Inorganic Chemistry 25 (1986) 2279-2280
Synthesis of open-framework transition-metal phosphates using organometallic
precursors in acidic media. Preparation and structural characterization of
Fe5P4O20H10 and NaFe3P3O12
Note: structure from ICSD, eosphorite structure
_database_code_amcsd 0012694
17.4920 9.038 9.349 90 96.23 90 C2/c
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      .5  .5984    .25       .0055  .0064  .0053      0  .0008      0
Fe2  .31640 .08846 .18716       .0053  .0074  .0079  .0003  .0010  .0004
Fe3  .32579 .47315 .12958       .0054  .0061  .0067  .0003  .0002 -.0010
P1    .4175  .3198  .4100       .0049  .0052  .0045  .0008 -.0005 -.0003
P2    .3392  .7582  .3688       .0042  .0059  .0054  .0001  .0005 -.0005
O1    .4248  .7633  .3380        .006   .011   .009   .001   .000   .001
O9    .2408  .5750 -.0322        .007   .010   .008   .002   .001  -.001
O2    .4224  .4321  .2897        .004   .009   .010   .001  -.001   .002
O3    .4898  .2157  .4199        .007   .013   .010   .008  -.002  -.005
O4    .4165  .3933  .5575        .007   .009   .008   .002  -.001  -.004
O5    .3458  .2244  .3689        .010   .010   .007  -.001   .000  -.002
O6    .3355  .7296  .5320        .007   .010   .006   .000   .002   .003
O7    .4201 -.0055  .1517        .010   .013   .018   .001   .005   .003
O8    .2974  .6319  .2809        .004   .007   .010  -.002   .000  -.001
O10   .2984  .9045  .3261        .010   .009   .006   .005   .001   .001
H1    .4608   .050   .136  5.5
H2    .4426  -.084   .226  6.9
H3     .234   .684   .004 16.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferroalluaudite
Download hom/ferroalluaudite.pdf
Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K
 
Inorganic Chemistry 25 (1986) 2279-2280
Synthesis of open-framework transition-metal phosphates using organometallic
precursors in acidic media. Preparation and structural characterization of
Fe5P4O20H10 and NaFe3P3O12
Note: structure from ICSD
_database_code_amcsd 0012695
11.998 12.328 6.500 90 114.185 90 C2/c
atom      x      y       z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0  .9709     .25  .0166  .1068  .0151      0  .0044      0
Fe1  .78904 .83999 -.12791  .0116  .0078  .0104  .0004  .0068  .0001
Fe2      .5 .78329     .25  .0101  .0106  .0107      0  .0063      0
P1   .78365 .88869  .38621  .0087  .0073  .0074  .0003  .0039 -.0010
P2       .5 .81971    -.25  .0073  .0077  .0064      0  .0026      0
O1    .7855  .8205   .1928  .0107  .0103   .085  .0004  .0042 -.0010
O2    .6451  .9085   .3436  .0088  .0093  .0156  .0005  .0060  .0010
O3    .8460  .8286   .6107  .0119  .0116  .0074  .0019  .0039  .0015
O4    .8456  .9975   .3987  .0121  .0085  .0132 -.0011  .0061  .0000
O5    .6070  .8941  -.2321  .0089  .0095  .0147 -.0019  .0048  .0003
O6    .5348  .7483  -.0381   .010  .0121  .0085  .0003  .0043  .0020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Serrabrancaite
Download hom/serrabrancaite.pdf
Lightfoot P, Cheetham A K, Sleight A W
 
Inorganic Chemistry 26 (1987) 3544-3547
Structure of MnPO4*H2O by synchrotron X-ray powder diffraction
Locality: synthetic
_database_code_amcsd 0012696
6.912 7.470 7.357 90 112.3 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)
Mn     .25    .25      0      .00446 .00291 .00145 .00094 .00114 .00039
P        0  .4176    .25      .00666 .00215 .00404      0 .00287      0
O1   .4588  .2014 -.0995  .42
O2   .3072 -.0359 -.3473  .34
O3       0 -.0995    .25  .49
H     .075  -.014   .197 1.00
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sarcopside
Download hom/sarcopside.pdf
Warner J K, Cheetham A K, Nord A G, Von Dreele R B, Yethiraj M
 
Journal of Materials Chemistry 2 (1992) 191-196
Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2
Sample: FE3(PO4)2
Locality: synthetic
Note: T = 59.7 K
_database_code_amcsd 0019809
6.0186 4.7768 10.4192 90 90.952 90 P2_1/c
atom     x      y     z   Uiso
FeM1    .5      0     0  .0020
FeM2 .2372 -.0158 .2822  .0016
P    .2602  .4330 .1004  .0027
O1   .2777  .7546 .1042 -.0005
O2   .2531  .1797 .4640  .0025
O3   .0719  .3250 .1821  .0015
O4   .4684  .2851 .1624  .0030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sarcopside
Download hom/sarcopside.pdf
Warner J K, Cheetham A K, Nord A G, Von Dreele R B, Yethiraj M
 
Journal of Materials Chemistry 2 (1992) 191-196
Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2
Sample: FE3(PO4)2
Locality: synthetic
Note: T = 10.1 K
_database_code_amcsd 0019810
6.01037 4.7727 10.4052 90 90.944 90 P2_1/c
atom     x      y     z  Uiso
FeM1    .5      0     0 .0019
FeM2 .2375 -.0152 .2821 .0012
P    .2602  .4327 .1005 .0022
O1   .2778  .7547 .1042 .0015
O2   .2533  .1810 .4638 .0021
O3   .0716  .3245 .1820 .0019
O4   .4680  .2852 .1627 .0024
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluorite
Download hom/fluorite.pdf
Cheetham A, Fender B, Cooper M
 
Journal of Physics C: Solid State Physics 4 (1971) 3107-3121
Defect structure of calcium fluoride containing excess anions: I. Bragg
scattering
_cod_database_code 1000043
_database_code_amcsd 0013161
5.462 5.462 5.462 90 90 90 Fm3m
atom   x   y   z
Ca     0   0   0
F    .25 .25 .25
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Al0.67 La3 Mo4.33 O14
 
McCarroll W, Podejko K, Cheetham A, Thomas D, DiSalvo F
 
Journal of Solid State Chemistry 62 (1986) 241-252
The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic
structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)
_cod_database_code 1005018
_database_code_amcsd 0013577
17.750 5.6600 11.070 90 90 90 Pnma
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1  .33565    .25 .13199       .0058  .0091  .0052      0 -.0001      0
La2  .34657    .25 .49908       .0071  .0099  .0062      0 -.0002      0
La3  .53414    .25 .69746       .0044  .0148  .0215      0  .0006      0
Mo1  .33906 .02356 .82069       .0037  .0052  .0050  .0004  .0004 -.0007
Mo2  .21638    .25 .86281       .0034  .0064  .0049      0 -.0001      0
Mo3  .50834  .2219 .00788   .5  .0044  .0075  .0076      0  .0005      0
Mo4   .0548    .25  .0968 .308  .0316  .0124  .0134      0 -.0019      0
Al1   .0662    .25  .1114 .692  .0316  .0124  .0134      0 -.0019      0
O1   -.0246    .25  .0549
O2    .1318    .25  .9949   .7
O3    .0850 -.0149  .1859  .35
O4    .2890    .75  .7446
O5   -.2206    .25  .7918
O6    .1526 -.0001  .8023
O7   -.2709  .5070  .0339
O8   -.0999    .75  .5994
O9    .0446  .0010  .6112
O10   .0946    .75  .4096
O11  -.0304    .25  .0120
O12   .1241    .25  .9792   .3
O13   .0809 -.0084  .1812  .15
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
KIn(OH)PO4
 
Hriljac J A, Grey C P, Cheetham A K, VerNooy P D, Torardi C C
 
Journal of Solid State Chemistry 123 (1996) 243-248
Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra
_database_code_amcsd 0013888
9.277 9.339 11.245 90 90 90 P2_12_12_1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .0196  .4687  .0984   .078   .022   .023   .023  -.014  -.006
K2   -.2584  .1378  .1649   .026   .058   .043   .024   .003   .006
In1  .14813 .10651 .12268  .0069  .0064  .0089 -.0009 -.0007 -.0002
In2  .39842 .15400 .37663  .0077  .0066  .0084  .0003 -.0007  .0005
P1   -.0669  .1599 -.1222  .0070  .0073  .0093  .0007   .000   .000
P2    .0795  .3124  .3692  .0082  .0067  .0092  .0003   .002   .000
O1    .0299  .2064 -.0176   .020   .017   .008  -.003  -.006   .000
O2     .499  .2729  .2362   .012   .015   .021   .002  -.002   .008
O3    .5713  .0030  .3657   .012   .012   .016  -.001  -.002   .005
O4    .2444  .3218  .3806   .010   .012   .020   .002   .003  -.003
Oh5   .2885  .0194  .2531   .016   .010   .019   .000  -.004  -.008
Oh6   .2416 -.0386  .0007   .008   .010   .021   .002  -.001   .000
O7     .511   .255  .5195   .016   .010   .013   .000  -.007  -.001
O8    .0351  .2188  .2615   .012   .012   .021   .000   .004  -.011
O9   -.0266 -.0339  .1536   .009   .009   .018  -.007   .003  -.003
O10   .2799  .2908  .0962   .011   .011   .021  -.004  -.004   .004
H       .31   -.07    .24
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: 15
View in amc, download in amc

Return to AMCSD Home Page