|
Cliffordite |
 |
Galy J, Meunier G |
 |
Acta Crystallographica B27 (1971) 608-616 |
|
A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure |
|
cristalline de UTe3O9 |
|
Locality: synthetic |
|
Sample: T = 700 C |
|
_database_code_amcsd 0009388 |
|
11.370 11.370 11.370 90 90 90 Pa3 |
|
atom x y z Biso |
|
U1 0 0 0 .57 |
|
U2 .5 .5 .5 .58 |
|
Te .2636 .2845 .0474 .48 |
|
O1 .178 .408 .092 .33 |
|
O2 .348 .106 .419 .48 |
|
O3 .104 .104 .104 1.17 |
|
O4 .6 .6 .6 .47 |
|
O5 .221 .221 .221 .74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cavoite |
|
Bouloux J C, Galy J |
|
Acta Crystallographica B29 (1973) 269-275 |
|
Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7 |
|
Locality: synthetic |
|
_database_code_amcsd 0009473 |
|
10.459 5.295 10.382 90 90 90 Pnam |
|
atom x y z Biso |
|
Ca .4156 .2011 .25 .76 |
|
V1 .1876 .2170 .0205 .68 |
|
V2 .2111 .7082 .25 .64 |
|
O1 .280 .474 .119 .84 |
|
O2 .274 .951 .119 .73 |
|
O3 .042 .232 .065 1.18 |
|
O4 .061 .698 .25 1.30 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schmitterite |
|
Meunier G, Galy J |
|
Acta Crystallographica B29 (1973) 1251-1255 |
|
Structure cristalline de la schmitterite synthetique UTeO5 |
|
Locality: synthetic |
|
_database_code_amcsd 0009479 |
|
10.161 5.363 7.862 90 90 90 Pca2_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
U .0148 .0302 0 .0020 .0080 .0044 -.0004 -.0001 -.0021 |
|
Te .250 .3662 .247 .0008 .0029 .0028 -.0009 .0001 -.0029 |
|
O1 .214 .270 -.026 .82 |
|
O2 .103 .161 .284 .30 |
|
O3 .392 .120 .233 .84 |
|
O4 .615 .241 .027 .75 |
|
O5 .590 .306 .531 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
VOSO4(H2O)3 |
| |
Theobald F, Galy J |
|
Acta Crystallographica B29 (1973) 2732-2736 |
|
Structure cristalline de VOSO4((H2O)3 |
|
Locality: synthetic |
|
Note: polymorph of bobjonesite |
|
_database_code_amcsd 0009497 |
|
7.411 7.439 12.272 90 108.9 90 P2_1/c |
|
atom x y z Biso |
|
V .3069 .7171 .3746 .78 |
|
S .2414 .3604 .5123 .70 |
|
O1 .5667 .6971 .4929 1.23 |
|
O2 .2000 .5403 .4638 1.83 |
|
O3 .0967 .2321 .4391 1.61 |
|
Wat4 .0276 .7973 .2910 1.43 |
|
O5 .3244 .5976 .2741 2.29 |
|
O6 .2412 .3598 .6309 1.78 |
|
Wat7 .2533 .8925 .5138 1.32 |
|
Wat8 .3894 .9618 .3296 2.10 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chalconatronite |
|
Mosset A, Bonnet J J, Galy J |
 |
Zeitschrift fur Kristallographie 148 (1978) 165-177 |
|
Structure cristalline de la chalconatronite synthetique: Na2Cu(CO3)2*3H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0010801 |
|
9.696 6.101 13.779 90 91.83 90 P2_1/n |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .6645 .7633 .2014 .0224 .0165 .0217 -.0008 -.0020 .0023 |
|
Na2 .6063 .5223 .4018 .0246 .0200 .0176 .0015 -.0009 .0004 |
|
Cu .12300 .99013 .31960 .0138 .0150 .0154 -.0013 -.0045 .0039 |
|
C1 -.0767 .7596 .3282 .0150 .0145 .0144 .0012 -.0030 -.0010 |
|
C2 .3822 .8474 .3248 .0162 .0123 .0134 .0011 -.0020 .0011 |
|
O1 .0327 .7380 .3864 .0181 .0240 .0191 -.0037 -.0098 .0082 |
|
O2 -.1811 .6398 .3322 .0170 .0176 .0275 -.0045 -.0039 .0013 |
|
O3 -.0647 .9177 .2664 .0183 .0160 .0169 -.0021 -.0057 .0049 |
|
O4 .3132 .7210 .2655 .0166 .0239 .0275 .0014 -.0063 -.0142 |
|
O5 .5122 .8465 .3320 .0138 .0196 .0258 -.0002 -.0041 -.0048 |
|
O6 .3094 .9749 .3783 .0160 .0147 .0156 .0021 -.0039 -.0024 |
|
O7 .0304 -.7316 .4183 .0330 .0239 .0182 -.0013 -.0045 .0039 |
|
O8 .3201 .8455 .5794 .0328 .0206 .0192 -.0047 -.0042 .0023 |
|
O9 .1306 .8973 .0687 .0313 .0234 .0228 .0067 -.0043 .0045 |
|
H1 0 .24 .48 1.96 |
|
H2 .02 .44 .42 1.96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl Cu H6.9 N3 O0.45 S3 |
| |
Mosset A, Abboudi M, Galy J |
| |
Zeitschrift fur Kristallographie 164 (1983) 171-180 |
|
Synthese, structure moleculaire et cristalline d'un rubeanate de |
|
cuivre(I): Cu Cl (C2 N2 S2 H4)1.5 (H2 O)0.45 |
|
_cod_database_code 1008176 |
|
_database_code_amcsd 0016113 |
|
14.258 22.686 13.503 90 90 90 *Ccca |
|
0 .75 .75 |
|
atom x y z occ |
|
Cu1 .6326 .15749 .4944 |
|
Cl1 .4968 .1092 .4293 |
|
S1 .6201 .1708 .6594 |
|
S2 .6561 .2414 .4069 |
|
S3 .7514 .0933 .4701 |
|
N1 .442 .169 .636 |
|
N2 .620 .1743 .255 |
|
N3 .631 .0102 .513 |
|
C1 .511 .169 .695 |
|
C2 .636 .2257 .288 |
|
C3 .715 .0265 .490 |
|
O1 .536 .512 .241 .225 |
|
O2 .707 .473 .259 .225 |
|
H1 .379 .167 .663 |
|
H2 .448 .169 .566 |
|
H3 .618 .14 .298 |
|
H4 .609 .167 .185 |
|
H5 .617 -.032 .53 |
|
H6 .581 .04 .517 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl Cu H4 N2 S2 |
| |
Mosset A, Abboudi M, Galy J |
| |
Zeitschrift fur Kristallographie 164 (1983) 181-188 |
|
Etude structurale, par diffraction des rayons X, du rubeanate de |
|
cuivre(I): Cu Cl (C2 N2 S2 H4) |
|
_cod_database_code 1008177 |
|
_database_code_amcsd 0016114 |
|
15.576 6.923 11.416 90 90 90 Pbca |
|
atom x y z |
|
Cu1 .1682 .117 .2438 |
|
Cl1 .1613 .086 .0420 |
|
S1 .2927 .252 .301 |
|
S2 .5425 .165 .165 |
|
N1 .356 .079 .115 |
|
N2 .470 .163 .373 |
|
C1 .372 .157 .220 |
|
C2 .459 .159 .258 |
|
H1 .405 .023 .067 |
|
H2 .296 .073 .082 |
|
H3 .42 .163 .428 |
|
H4 .53 .16 .407 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Downeyite |
|
Stahl K, Legros J P, Galy J |
|
Zeitschrift fur Kristallographie 202 (1992) 99-107 |
|
The crystal structure of SeO2 at 139 and 286 K |
|
Note: T = 139 K |
|
Locality: synthetic |
|
_database_code_amcsd 0011027 |
|
8.3218 8.3218 5.0541 90 90 90 P4_2/mbc |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Se .13396 .20929 0 .45 .00122 .00154 .00566 .00005 0 0 |
|
O1 .13752 .36248 .25 .74 .00262 .00262 .00745 .00055 .00102 .00102 |
|
O2 -.05789 .17358 0 .90 .00170 .00366 .01178 -.00039 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
|
| |
|
Downeyite |
|
Stahl K, Legros J P, Galy J |
|
Zeitschrift fur Kristallographie 202 (1992) 99-107 |
|
The crystal structure of SeO2 at 139 and 286 K |
|
Note: T = 286 K |
|
Locality: synthetic |
|
_database_code_amcsd 0011028 |
|
8.3622 8.3622 5.0612 90 90 90 P4_2/mbc |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Se .13374 .21019 0 .950 .00338 .00400 .00770 .00013 0 0 |
|
O1 .13802 .36198 .25 1.35 .00575 .00575 .00808 .00168 .0013 .0013 |
|
O2 -.05710 .17507 0 1.63 .00381 .00725 .01744 -.00096 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
|
| |
|
Langite |
|
Galy J, Jaud J, Pulou R, Sempere R |
| |
Bulletin de Mineralogie 107 (1984) 641-648 |
|
Structure cristalline de la langite, Cu4[SO4(OH)6H2O]*H2O |
|
Locality: Mazega, Aveyrone, France |
|
_database_code_amcsd 0012082 |
|
7.118 6.034 11.209 90 90.02 90 Pc |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 -.0070 .4973 .0022 .0059 .0043 .0013 .0004 -.0002 .0002 |
|
Cu2 0 -.0081 0 .0068 .0032 .0010 -.0011 .0003 -.0003 |
|
Cu3 -.0157 .2459 .2504 .0048 .0036 .0014 .0000 -.0004 -.0001 |
|
Cu4 -.0096 .7449 .2490 .0060 .0036 .0014 .0000 -.0005 .0001 |
|
S .4186 .6823 .0823 .0033 .0090 .0024 -.0002 -.0001 .0005 |
|
OH1 .139 .245 .0592 .0052 .0058 .0021 .0007 .0006 .0000 |
|
Wat2 -.267 -.759 -.0958 .0033 .0125 .0044 -.0001 .0003 .0012 |
|
OH3 .112 .497 -.1613 .0065 .0066 .0005 -.0017 -.0002 .0005 |
|
OH4 -.143 -.255 -.0563 .0055 .0044 .0011 -.0002 -.0002 .0000 |
|
O5 .215 .732 .0913 .0037 .0025 .0025 -.0011 .0008 .0000 |
|
OH6 -.126 -.504 .1635 .0056 .0018 .0017 .0009 .0005 .0004 |
|
OH7 -.119 -.009 .1592 .0015 .0060 .0016 -.0009 .0006 -.0012 |
|
OH8 .111 .006 -.1632 .0059 .0039 .0017 .0015 -.0007 .0014 |
|
O9 .519 .893 .0790 .0096 .0167 .0033 -.0080 -.0015 .0025 |
|
O10 .480 .551 .1861 .0082 .0158 .0050 .0028 -.0005 .0033 |
|
O11 .457 .562 -.0291 .0101 .0200 .0032 .0021 .0002 -.0035 |
|
Wat12 .479 .081 .3016 .0075 .0191 .0072 .0005 -.0001 -.0024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wheatleyite |
|
Gleizes A, Maury F, Galy J |
| |
Inorganic Chemistry 19 (1980) 2074-2078 |
|
Crystal structure and magnetism of solum bis(oxalato)cuprate(II) dihydrate, |
|
Na2Cu(C2O4)2*2H2O. A deductive proposal for the structure of copper oxalate, |
|
CuC2O4*xH2O (0 < x < 1) |
|
Locality: synthetic |
|
_database_code_amcsd 0012692 |
|
7.536 9.473 3.576 81.90 103.77 108.09 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) |
|
Na .2979 .57239 .6073 .01338 .00672 .05270 .00198 .00710 -.00393 |
|
Cu 0 0 0 .00564 .00260 .04000 .00026 .00525 -.00433 |
|
C1 .2200 .2756 .1794 .00615 .00340 .02645 .00091 .00226 -.00184 |
|
C2 .0279 .2544 .2939 .00625 .00316 .03000 .00139 .00154 -.00208 |
|
O1 .2327 .1623 .0424 .00656 .00359 .04812 .00043 .00638 -.00490 |
|
O2 -.0914 .1244 .2459 .00666 .00356 .05020 .00051 .00700 -.00474 |
|
O3 .3436 .3952 .2198 .00758 .00356 .05125 -.00063 .00483 -.00466 |
|
O4 .0016 .3564 .4265 .00941 .00443 .05666 .00206 .00463 -.00739 |
|
O5 .3945 .7525 .1073 .00804 .00750 .06125 .00278 .00576 .00040 |
|
H1 .5279 .8117 .0895 2 |
|
H2 .3282 .8304 -.0006 2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgVO3 |
| |
Bouloux J C, Milosevic I, Galy J |
| |
Journal of Solid State Chemistry 16 (1976) 393-398 |
|
Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure |
|
cristalline de MgVO3 |
|
_database_code_amcsd 0013332 |
|
5.243 10.028 5.290 90 90 90 Cmc2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 .4267 0 .0048 .0014 .0019 0 0 .0003 |
|
V 0 .0686 .011 .0033 .00080 .0041 0 0 .0001 |
|
O1 .2383 -.005 .264 .0043 .0019 .0035 .0005 .0056 -.00015 |
|
O2 0 .2330 .025 .0182 .0010 .0093 0 0 .0014 |
|
|
| 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.
