|
Cd Cl2 |
| |
Pauling L, Hoard J |
| |
Zeitschrift fur Kristallographie 74 (1930) 546-551 |
|
The crystal structure of cadmium chloride |
|
_cod_database_code 1011332 |
|
_database_code_amcsd 0018174 |
|
6.23 6.23 6.23 36.03 36.03 36.03 R-3m |
|
atom x y z |
|
Cd1 0 0 0 |
|
Cl1 .25 .25 .25 |
|
|
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|
| |
|
Br6 K2 Se |
| |
Hoard J, Dickinson B |
| |
Zeitschrift fur Kristallographie 84 (1933) 436-441 |
|
The crystal structure of potassium bromoselenite |
|
_cod_database_code 1010627 |
|
_database_code_amcsd 0017509 |
|
10.363 10.363 10.363 90 90 90 Fm3m |
|
atom x y z |
|
K1 .25 .25 .25 |
|
Se1 0 0 0 |
|
Br1 .245 0 0 |
|
|
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|
| |
|
Cl4 K2 O2 Os |
| |
Hoard J, Grenko J |
| |
Zeitschrift fur Kristallographie 87 (1934) 100-109 |
|
The crystal structure of potassium osmyl chloride K2 Os O2 Cl4 |
|
_cod_database_code 1010629 |
|
_database_code_amcsd 0017511 |
|
6.99 6.99 8.75 90 90 90 I4/mmm |
|
atom x y z |
|
Os1 0 0 0 |
|
O1 0 0 .212 |
|
K1 0 .5 .25 |
|
Cl1 .23 .230 0 |
|
|
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|
| |
|
Cd Cl H O |
| |
Hoard J, Grenko J |
| |
Zeitschrift fur Kristallographie 87 (1934) 110-119 |
|
The Crystal Structure of Cadmium Hydroxychloride, Cd O H Cl |
|
_cod_database_code 1010263 |
|
_database_code_amcsd 0017190 |
|
3.66 3.66 10.27 90 90 120 P6_3mc |
|
atom x y z |
|
Cd1 1/3 2/3 0 |
|
Cl1 1/3 2/3 .337 |
|
O1 0 0 .10 |
|
|
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|
| |
|
Cl9 Cs3 Tl2 |
| |
Hoard J, Goldstein L |
| |
Journal of Chemical Physics 3 (1935) 199-202 |
|
The Crystal Structure of Cesium Enneachlordithalliate, Cs3 Tl2 Cl9 |
|
_cod_database_code 1010869 |
|
_database_code_amcsd 0017540 |
|
9.58 9.58 9.58 83.8 83.8 83.8 R-3c |
|
atom x y z |
|
Tl1 .098 .098 .098 |
|
Cs1 .667 .333 0 |
|
Cl1 .153 -.153 0 |
|
Cl2 .336 .176 -.005 |
|
|
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|
| |
|
Cl6 H4 K3 O2 Tl |
| |
Hoard J, Goldstein L |
| |
Journal of Chemical Physics 3 (1935) 645-649 |
|
The Structure of Potassium Hexachlorothalliate Dihydrate |
|
_cod_database_code 1010517 |
|
_database_code_amcsd 0017428 |
|
15.841 15.841 18.005 90 90 90 I4/mmm |
|
atom x y z |
|
Tl1 0 0 0 |
|
Tl2 0 .5 0 |
|
Tl3 .25 .25 .25 |
|
Cl1 0 0 .142 |
|
Cl2 .161 0 0 |
|
Cl3 0 .5 .142 |
|
Cl4 .386 .114 0 |
|
Cl5 .181 -.181 .362 |
|
Cl6 .16 -.16 .163 |
|
Cl7 .364 .864 .25 |
|
K1 0 0 .5 |
|
K2 .214 .214 0 |
|
K3 0 .295 .132 |
|
K4 0 .293 .376 |
|
O1 0 0 .347 |
|
O2 .173 0 .5 |
|
O3 0 .157 .276 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br6 H2.286 O1.143 Rb3 Tl |
| |
Hoard J, Goldstein L |
| |
Journal of Chemical Physics 3 (1935) 645-649 |
|
The Structure of Potassium Hexachlorothalliate Dihydrate |
|
_cod_database_code 1010518 |
|
_database_code_amcsd 0017429 |
|
16.95 16.95 19.45 90 90 90 I4/mmm |
|
atom x y z |
|
Tl1 0 0 0 |
|
Tl2 0 .5 0 |
|
Tl3 .25 .25 .25 |
|
Br1 0 0 .139 |
|
Br2 .159 0 0 |
|
Br3 0 .5 .139 |
|
Br4 .387 .113 0 |
|
Br5 .181 -.181 .36 |
|
Br6 .161 -.161 .165 |
|
Br7 .363 .863 .25 |
|
Rb1 0 0 .5 |
|
Rb2 .214 .214 0 |
|
Rb3 0 .295 .132 |
|
Rb4 0 .293 .366 |
|
O1 0 .122 .4 |
|
|
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|
| |
|
Boron |
| |
Hoard J L, Sullenger D B, Kennard C H L, Hughes R E |
| |
Journal of Solid State Chemistry 1 (1970) 268-277 |
|
The structure analysis of beta-rhombohedral boron |
|
Locality: synthetic |
|
_database_code_amcsd 0013290 |
|
10.944 10.944 23.81 90 90 120 R-3m |
|
atom x y z occ Biso |
|
B1 .1730 .1742 .1768 .485 |
|
B2 .3189 .2966 .1291 .538 |
|
B3 .2607 .2172 .4199 .479 |
|
B4 .2351 .2506 .3473 .624 |
|
B5 .0549 .1097 -.0560 .551 |
|
B6 .0867 .1735 .0130 .613 |
|
B7 .1091 .2182 -.1140 .470 |
|
B8 .1703 .3406 .0281 .623 |
|
B9 .1285 .2570 -.2338 .569 |
|
B10 .1022 .2044 -.3020 .348 |
|
B11 .0562 .1125 .3267 .414 |
|
B12 .0894 .1788 .3990 .353 |
|
B13 .0574 .1148 -.4460 2/3 .780 |
|
B14 0 0 .3852 .272 |
|
B15 0 0 .5 1.315 |
|
B16 .0546 .1093 .1166 1/3 1.944 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B F4 Rb |
| |
Hoard J, Blair V |
| |
Journal of the American Chemical Society 57 (1935) 1985-1988 |
|
The Crystal Structures of Rubidium and Ammonium Fluoborates |
|
_cod_database_code 1010094 |
|
_database_code_amcsd 0017027 |
|
9.07 5.6 7.23 90 90 90 Pnma |
|
atom x y z |
|
Rb1 .315 .25 .335 |
|
B1 .932 .25 .696 |
|
F1 .069 .25 .597 |
|
F2 .813 .25 .567 |
|
F3 .923 .043 .81 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Barberiite |
 |
Hoard J, Blair V |
| |
Journal of the American Chemical Society 57 (1935) 1985-1988 |
|
The crystal structures of rubidium and ammonium fluoborates |
|
_cod_database_code 1011135 |
|
_database_code_amcsd 0018024 |
|
9.06 5.64 7.23 90 90 90 Pnma |
|
atom x y z |
|
NH4 .308 .25 .328 |
|
B1 .947 .25 .697 |
|
F1 .086 .25 .603 |
|
F2 .83 .25 .563 |
|
F3 .936 .043 .811 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F7 K2 Nb |
| |
Hoard J |
| |
Journal of the American Chemical Society 61 (1939) 1252-1259 |
|
Structures of complex fluorides. Potassium heptafluocolumbate. The |
|
Configuration of the heptafluocolumbate and heptafluortantalate ions |
|
_cod_database_code 1010049 |
|
_database_code_amcsd 0016985 |
|
5.85 12.67 8.5 90 90. 90 P2_1/c |
|
atom x y z |
|
Nb1 .266 .128 .223 |
|
K1 .236 .44 .188 |
|
K2 .757 .28 .445 |
|
F1 .045 .245 .2 |
|
F2 .455 .255 .205 |
|
F3 .045 .105 .4 |
|
F4 .455 .11 .41 |
|
F5 .225 -.025 .215 |
|
F6 .18 .11 .005 |
|
F7 .55 .075 .125 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F7 K2 Ta |
| |
Hoard J |
| |
Journal of the American Chemical Society 61 (1939) 1252-1259 |
|
Structures of complex fluorides. Potassium heptafluocolumbate. The |
|
Configuration of the heptafluocolumbate and heptafluortantalate ions |
|
_cod_database_code 1010050 |
|
_database_code_amcsd 0016986 |
|
5.85 12.67 8.5 90 90. 90 P2_1/c |
|
atom x y z |
|
Ta1 .266 .128 .223 |
|
K1 .236 .44 .188 |
|
K2 .757 .28 .445 |
|
F1 .045 .245 .2 |
|
F2 .455 .255 .205 |
|
F3 .045 .105 .4 |
|
F4 .455 .11 .41 |
|
F5 .225 -.025 .215 |
|
F6 .18 .11 .005 |
|
F7 .55 .075 .125 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F6 Ge K2 |
| |
Hoard J, Vincent W |
| |
Journal of the American Chemical Society 61 (1939) 2849-2852 |
|
Structures of Complex Fluorides. Potassium Hexafluogermanate and |
|
Ammonium Hexafluogermanate |
|
_cod_database_code 1010101 |
|
_database_code_amcsd 0017034 |
|
5.62 5.62 4.65 90 90 120 P-3m1 |
|
atom x y z |
|
K1 1/3 2/3 .7 |
|
Ge1 0 0 0 |
|
F1 .148 .852 .22 |
|
|
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|
| |
|
F6 Ge H8 N2 |
| |
Hoard J, Vincent W |
| |
Journal of the American Chemical Society 61 (1939) 2849-2852 |
|
Ytructures of Complex Fluorides. Potassium Hexafluogermanate and |
|
Ammonium Hexafluogermanate |
|
_cod_database_code 1010102 |
|
_database_code_amcsd 0017035 |
|
5.85 5.85 4.775 90 90 120 P-3m1 |
|
atom x y z |
|
N1 1/3 2/3 .695 |
|
Ge1 0 0 0 |
|
F1 .143 .857 .214 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H4 K4 Mo N8 O2 |
| |
Hoard J, Nordsieck H |
| |
Journal of the American Chemical Society 61 (1939) 2853-2863 |
|
The Structure of Potassium Molybdocyanide Dihydrate. The Configuration |
|
of the Molybdenum Octocyanide Group |
|
_cod_database_code 1010103 |
|
_database_code_amcsd 0017036 |
|
16.55 11.7 8.68 90 90 90 Pnma |
|
atom x y z |
|
K1 .147 .042 .69 |
|
K2 .363 .25 .53 |
|
K3 -.037 .25 .477 |
|
Mo1 .135 .25 .094 |
|
C1 .036 .15 .18 |
|
C2 .168 .07 .072 |
|
C3 .059 .25 -.09 |
|
C4 .214 .25 -.105 |
|
C5 .264 .25 .175 |
|
C6 .14 .25 .34 |
|
N1 -.009 .08 .21 |
|
N2 .181 -.025 .055 |
|
N3 .015 .25 -.21 |
|
N4 .256 .25 -.216 |
|
N5 .325 .25 .214 |
|
N6 .14 .25 .467 |
|
O1 .11 -.05 .4 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba F6 Si |
| |
Hoard J, Vincent W |
| |
Journal of the American Chemical Society 62 (1940) 3126-3129 |
|
Structures of Complex Fluorides. Barium Fluorosilicate and Barium |
|
Fluorogermanate |
|
_cod_database_code 1010205 |
|
_database_code_amcsd 0017141 |
|
4.75 4.75 4.75 97.97 97.97 97.97 R-3m |
|
atom x y z |
|
Si1 0 0 0 |
|
Ba1 .5 .5 .5 |
|
F1 -.254 -.254 .085 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba F6 Ge |
| |
Hoard J, Vincent W |
| |
Journal of the American Chemical Society 62 (1940) 3126-3129 |
|
Structures of Complex Fluorides. Barium Fluorosilicate and Barium |
|
Fluorogermanate |
|
_cod_database_code 1010206 |
|
_database_code_amcsd 0017142 |
|
4.83 4.83 4.83 98.02 98.02 98.02 R-3m |
|
atom x y z |
|
Ge1 0 0 0 |
|
Ba1 .5 .5 .5 |
|
F1 -.259 -.259 .086 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boron |
| |
Hoard J L, Geller S, Hughes R E |
| |
Journal of the American Chemical Society 73 (1951) 1892-1893 |
|
On the structure of elementary boron |
|
Locality: synthetic |
|
_database_code_amcsd 0014080 |
|
8.73 8.73 5.03 90 90 90 P-4n2 |
|
atom x y z |
|
B1 0 0 .5 |
|
B2 .5 .5 0 |
|
B3 .328 .095 .395 |
|
B4 .095 .328 .395 |
|
B5 .223 .078 .105 |
|
B6 .078 .223 .105 |
|
B7 .127 .127 .395 |
|
B8 .25 .25 -.078 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Boron |
| |
Hoard J L, Hughes R E, Sands D E |
| |
Journal of the American Chemical Society 80 (1958) 4507-4515 |
|
The structure of tetragonal boron |
|
Locality: synthetic |
|
Sample: needle III |
|
_database_code_amcsd 0014101 |
|
8.740 8.740 5.068 90 90 90 P4_2/nnm |
|
atom x y z Biso |
|
B1 .3253 .0883 .3985 .76 |
|
B2 .2272 .0805 .0865 .73 |
|
B3 .1195 .1195 .3780 .79 |
|
B4 .2425 .2425 .5815 .67 |
|
B5 0 0 .5 .52 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boron |
| |
Hoard J L, Hughes R E, Sands D E |
| |
Journal of the American Chemical Society 80 (1958) 4507-4515 |
|
The structure of tetragonal boron |
|
Locality: synthetic |
|
Sample: plate |
|
_database_code_amcsd 0014102 |
|
8.771 8.771 5.088 90 90 90 P4_2/nnm |
|
atom x y z Biso |
|
B1 .3255 .0875 .4005 1.29 |
|
B2 .2265 .0825 .0895 1.56 |
|
B3 .1245 .1245 .3870 1.62 |
|
B4 .2490 .2490 .5865 .66 |
|
B5 0 0 .5 .68 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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