|
Sb2O3*2SO3 |
| |
Mercier R, Douglade J, Theobald F R |
 |
Acta Crystallographica B31 (1975) 2081-2085 |
|
Structure cristalline de Sb2O3*2SO3 |
|
_database_code_amcsd 0009538 |
|
6.59 6.59 17.04 90 90 90 P4_12_12 |
|
atom x y z Biso |
|
Sb .4782 .6505 .0923 .80 |
|
S .1473 .5338 -.0536 1.03 |
|
O1 -.0002 .3747 -.0460 1.09 |
|
O2 .2066 .6099 .0230 1.95 |
|
O3 .3292 .4630 -.0985 2.40 |
|
O4 .0468 .6969 -.0948 1.88 |
|
O5 .6378 .6378 0 1.31 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sb2(SO4)3 |
| |
Mercier R, Douglade J, Bernard J |
|
Acta Crystallographica B32 (1976) 2787-2791 |
|
Structure cristalline de Sb2O3*3SO3 |
|
_database_code_amcsd 0009575 |
|
13.12 4.750 17.55 90 126.30 90 P2_1/c |
|
atom x y z Biso |
|
Sb1 .3561 .4113 .2857 .59 |
|
Sb2 .1107 .2063 .4379 .60 |
|
S1 .5558 .9359 .3922 .62 |
|
S2 .1722 .6694 .3234 .69 |
|
S3 .1662 .6352 .6120 .67 |
|
O11 .5562 .0535 .3158 .78 |
|
O12 .5214 .6257 .3699 .85 |
|
O13 .6753 .9555 .4800 1.29 |
|
O14 .4730 .1028 .4025 .65 |
|
O21 .0907 .5533 .2317 .94 |
|
O22 .3002 .5580 .3681 .79 |
|
O23 .1402 .5731 .3840 .85 |
|
O24 .1730 .9837 .3283 .63 |
|
O31 .0462 .5157 .5960 1.00 |
|
O32 .1381 .9368 .5740 .96 |
|
O33 .2000 .4343 .5594 .82 |
|
O34 .2713 .6450 .7090 .80 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sb2(S2O7)3 |
| |
Douglade J, Mercier R |
|
Acta Crystallographica B35 (1979) 1062-1067 |
|
Structure cristalline du disulfate d'antimoine(III) Sb2(S2O7)3 |
|
_database_code_amcsd 0009666 |
|
6.644 12.390 9.678 92.69 82.29 96.88 P-1 |
|
atom x y z Biso |
|
Sb1 -.2775 .2113 -.0917 1.23 |
|
Sb2 .2610 .2430 .4139 1.00 |
|
S1 .0378 .0456 -.2744 .80 |
|
S2 .3905 -.0421 -.1990 .75 |
|
S3 .1605 .2578 .0640 .79 |
|
S4 .4148 .4228 .1788 .96 |
|
S5 .0694 .4067 .6872 .81 |
|
S6 -.2135 .2891 .5281 .82 |
|
O1 -.0846 .0983 -.1551 1.53 |
|
O2 .1859 .1202 -.3494 1.79 |
|
O3 -.0847 -.0292 -.3509 1.75 |
|
O4 .1520 -.0241 -.1769 1.52 |
|
O5 .5059 .0632 -.2003 1.54 |
|
O6 .4250 -.1076 -.3218 2.07 |
|
O7 .3998 -.0983 -.0707 1.52 |
|
O8 -.0598 .2517 .0586 1.28 |
|
O9 .2014 .2032 .1856 1.28 |
|
O10 .2808 .2285 -.0618 1.45 |
|
O11 .2163 .3853 .0956 1.19 |
|
O12 .4440 .5368 .1652 1.69 |
|
O13 .5696 .3568 .1226 1.71 |
|
O14 .3279 .3944 .3260 1.18 |
|
O15 .2219 .3485 .5995 1.46 |
|
O16 -.0134 .3469 .8102 1.60 |
|
O17 .1265 .5185 .7076 1.86 |
|
O18 -.1197 .4028 .5919 1.11 |
|
O19 -.2476 .2117 .6361 1.74 |
|
O20 -.3859 .3171 .4718 1.67 |
|
O21 -.0521 .2607 .4154 1.51 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Minasragrite |
 |
Tachez M, Theobald F R, Watson K J, Mercier R |
|
Acta Crystallographica B35 (1979) 1545-1550 |
|
Redetermination de la structure du sulfate de vanadyle pentahydrate VOSO4*5H2O |
|
Locality: synthetic |
|
Note: anisoB's from ICSD |
|
_database_code_amcsd 0009674 |
|
6.976 9.716 12.902 90 110.90 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
V .3352 .2271 .1475 1.00 .0052 .0029 .0018 .0005 .0023 -.0002 |
|
S .0173 .4486 .176 1.22 .0062 .0032 .0025 .0017 .0033 -.0003 |
|
O1 .4224 .2061 .2778 2.13 .0128 .0071 .0025 .0011 .0033 -.0002 |
|
O2 .2487 .2477 -.0318 1.93 .0161 .0041 .0023 .0008 .0033 .0007 |
|
O3 .0694 .3194 .1281 1.57 .0065 .0036 .0040 .0005 .0043 -.0024 |
|
O4 .4605 .4111 .1399 2.12 .0090 .0037 .0066 -.0020 .0091 -.0014 |
|
O5 .5742 .1296 .1263 2.28 .0104 .0083 .0038 .0095 .0064 .0035 |
|
O6 .1720 .0527 .1048 1.79 .0129 .0033 .0040 -.0023 .0082 -.0013 |
|
O7 .0391 .4228 .2912 2.69 .0210 .0080 .0032 .0129 .0090 .0025 |
|
O8 -.1947 .4821 .1094 1.82 .0061 .0047 .0045 .0023 .0038 .0018 |
|
O9 .1569 .5579 .1706 2.11 .0094 .0042 .0055 -.0029 .0057 -.0017 |
|
O10 .7252 .3141 .4682 2.01 .0111 .0052 .0035 -.0002 .0033 .0003 |
|
H12 .194 .303 .421 4 |
|
H22 .225 .176 .445 5.3 |
|
H14 .396 .473 .143 3.8 |
|
H24 .577 .432 .133 5.7 |
|
H15 .605 .150 .076 3.6 |
|
H25 .679 .111 .189 6.1 |
|
H16 .111 .021 .146 3.9 |
|
H26 .214 -.013 .077 4 |
|
H110 .654 .276 .416 3.8 |
|
H210 .827 .262 .497 5.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As2(SO4)3 |
| |
Douglade J, Mercier R |
|
Acta Crystallographica B38 (1982) 720-723 |
|
Structure cristalline et covalence des liaisons dans le sulfate d'arsenic(III), |
|
As2(SO4)3 |
|
Note: anisoB's from ICSD |
|
_database_code_amcsd 0009755 |
|
9.389 5.255 19.355 90 91.88 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
As1 .3780 .1869 .12917 .87 .0022 .0114 .0006 .0001 0 .0002 |
|
As2 .1272 .2370 .37043 .84 .0021 .0145 .0005 .0001 .0001 -.0002 |
|
S1 .3012 .0643 -.0139 .96 .0030 .0136 .0005 .0013 .0000 .0001 |
|
S2 .6467 .4102 .1840 1.01 .0021 .0144 .0006 -.0009 .0001 -.0002 |
|
S3 .0872 .3547 .1527 .98 .0020 .0127 .0007 .0001 .0003 .0002 |
|
O11 .3585 .2689 .0370 1.33 .0053 .0142 .0006 .0002 -.0002 .0002 |
|
O12 .1588 .1857 -.0387 1.57 .0030 .0290 .0007 .0027 -.0002 .0014 |
|
O13 .2753 -.1620 .0223 2.06 .0082 .0147 .0012 -.0001 .0001 .0005 |
|
O14 .3906 .0608 -.0722 1.82 .0056 .0255 .0007 .0033 .0007 -.0003 |
|
O21 .5048 .4418 .1419 1.37 .0022 .0152 .0012 -.0012 -.0002 -.0002 |
|
O22 .7572 .4503 .1269 1.38 .0028 .0187 .0009 -.0020 .0007 -.0008 |
|
O23 .6585 .6175 .2310 1.94 .0064 .0241 .0009 -.0037 .0009 -.0022 |
|
O24 .6574 .1591 .2091 2.08 .0060 .0194 .0014 -.0012 -.0002 .0017 |
|
O31 .2448 .4301 .1519 1.24 .0019 .0149 .0010 .0008 .0001 -.0005 |
|
O32 .0206 .5423 .0996 1.35 .0021 .0213 .0008 .0016 .0003 .0012 |
|
O33 .0746 .1040 .1257 1.87 .0046 .0163 .0016 -.0016 .0008 -.0011 |
|
O34 .0291 .4123 .2177 1.81 .0061 .0238 .0008 .0019 .0012 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
(As2O2)(SO4) |
| |
Mercier R, Douglade J |
|
Acta Crystallographica B38 (1982) 896-898 |
|
Affinement de la structure avec tunnels de paires E dans un oxysulfate |
|
d'arsenic: (As2O2)(SO4) |
|
_database_code_amcsd 0009756 |
|
4.628 11.497 4.776 90 90 90 P2_12_12 |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As .2625 .1917 .1789 .91 .0097 .0106 .0139 .0023 -.0017 .0001 |
|
S 0 0 -.2035 1.09 .0164 .0073 .0171 0 0 .0004 |
|
O1 .4072 .2609 -.1234 1.11 .0096 .0152 .0168 .0022 .0001 -.0026 |
|
O2 .2284 .0471 -.0069 1.66 .0134 .0098 .0391 -.0074 -.0087 .0007 |
|
O3 -.1281 .0921 -.3662 2.09 .0409 .0178 .0200 .0066 -.0060 .0040 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As2O(SO4)2 |
| |
Mercier R, Douglade J |
|
Acta Crystallographica B38 (1982) 1731-1735 |
|
Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2 |
|
(ou As2O3*(SO3)2) |
|
Note: AnisoB's from ICSD |
|
_database_code_amcsd 0009768 |
|
6.650 6.671 16.612 90 94.34 90 Pc |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
As1 0 .0159 0 .95 .0060 .0051 .0009 .0005 .0005 -.0002 |
|
As2 -.1277 -.1357 .1670 1.08 .0082 .0050 .0010 .0001 .0000 .0002 |
|
As3 .5030 .3809 .2535 .97 .0074 .0044 .0010 -.0004 .0001 -.0003 |
|
As4 .3974 .5158 .4298 .98 .0064 .0056 .0009 -.0009 .0006 -.0002 |
|
S1 -.4472 -.0246 .0319 1.33 .0066 .0069 .0012 .0016 -.0002 .0000 |
|
S2 -.0288 .3260 .1390 1.52 .0119 .0061 .0013 -.0003 .0008 -.0005 |
|
S3 .8461 .4760 .3902 1.11 .0046 .0066 .0010 -.001 .0004 -.0002 |
|
S4 .419 .8213 .2876 1.35 .0085 .0063 .0011 .0002 .0000 .0003 |
|
O1 .0390 -.1224 .0872 .78 .0080 .0050 .0004 .0013 -.0004 .0010 |
|
O2 .3810 .3648 .3413 .98 .0041 .0049 .0011 .0012 .0000 -.0004 |
|
O11 -.2794 .0194 -.0194 2.73 .0126 .0233 .0018 -.0054 .0000 .0041 |
|
O12 -.3645 -.1008 .1177 4.22 .0135 .0405 .0036 .0006 -.0009 .0051 |
|
O13 -.5817 -.1753 -.0020 3.65 .0326 .0161 .0029 -.0106 -.0001 -.0028 |
|
O14 -.5114 .1749 .0499 1.33 .0122 .0043 .0018 .0046 .0024 .0002 |
|
O21 -.0122 .2613 .053 1.30 .0268 .0006 .0007 -.0009 .0025 .0000 |
|
O22 -.0893 .1482 .1916 2.46 .0319 .0029 .0024 .0009 .0023 -.0017 |
|
O23 -.2058 .4633 .1385 4.91 .0369 .0205 .0045 .0061 .0015 .0019 |
|
O24 .1676 .3416 .1713 4.01 .0093 .0357 .0033 -.0051 -.0002 .0003 |
|
O31 .7613 .3569 .3203 1.13 .0060 .0082 .0007 .0015 -.0002 -.0015 |
|
O32 .6674 .4741 .4466 1.05 .0049 .0063 .0011 .0016 .0005 -.0003 |
|
O33 .9969 .3580 .4321 1.76 .0114 .0065 .0018 .0003 -.0004 .0005 |
|
O34 .9468 .6486 .3724 4.95 .049 .0107 .0047 -.0118 .0078 -.0018 |
|
O41 .5406 .6474 .2470 1.65 .0158 .0020 .0023 .0007 -.0018 .0004 |
|
O42 .4134 .7571 .3737 3.10 .0491 .0052 .0012 .0013 .0032 .0006 |
|
O43 .5544 .9833 .2881 1.07 .0055 .0036 .0014 -.0003 .0006 .0003 |
|
O44 .2316 .8976 .2551 4.98 .0085 .058 .0046 .0030 -.0021 .0037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As2O3*SO3 |
| |
Mercier R |
| |
Revue de Chimie Minerale 12 (1975) 508-517 |
|
Etude structurale du compose As2O3, 1 SO3 |
|
_database_code_amcsd 0015375 |
|
4.655 11.54 4.795 90 90 90 P2_12_12 |
|
atom x y z Biso |
|
As .2660 .1914 .1780 .60 |
|
S .5 .5 .2117 .99 |
|
O1 .7170 .4526 .0210 1.33 |
|
O2 .9052 .2395 .1140 .68 |
|
O3 .3830 .4070 .3825 2.02 |
|
|
| 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.
