American Mineralogist Crystal Structure Database

20 matching records for this search.

Kafehydrocyanite
 
Taylor J C, Mueller M H, Hitterman R L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7673&volume=26&spage=559
Acta Crystallographica A26 (1970) 559-567
A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the
Curie temperature
Locality: synthetic
_database_code_amcsd 0009321
9.415 17.006 9.382 90 90.03 90 A2/a
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K1    .4350  .1431 .5963      .0050  .0034  .0050 -.0019 -.0018  .0001
K2    .1576  .3574 .6907      .0043  .0049  .0056  .0007 -.0015 -.0021
Fe      .25  .1765     0      .0027  .0016  .0029      0  .0001      0
C1      .25  .0643     0      .0062  .0023  .0066      0  .0006      0
C2      .25  .2915     0      .0054  .0012  .0024      0 -.0006      0
C3    .1806  .1774 .8076      .0039  .0021  .0034  .0003 -.0002 -.0005
C4    .4419  .1778 .9325      .0033  .0021  .0040 -.0008  .0003  .0002
N1      .25 -.0053     0      .0084  .0012  .0182      0  .0047      0
N2      .25  .3598     0      .0067  .0019  .0099      0  .0014      0
N3    .1390  .1748 .6924      .0060  .0040  .0038  .0002 -.0013 -.0014
N4    .4394  .3219 .6101      .0044  .0033  .0071 -.0013  .0011  .0006
O1    .2276  .0242 .5391  .5  .0133  .0016  .0093 -.0007  .0023  .0000
D1    .2275 -.0272 .5176  .5  .0096  .0030  .0150  .0016  .0041  .0037
D2    .1702  .0283 .6144  .5  .0393  .0037  .0209  .0012  .0046 -.0010
O2    .0030  .0000 .7750  .5
D3    .0780  .0060 .8300  .5
D4   -.0784 -.0214 .8376  .5  .0554  .0059  .0168 -.0096 -.0055  .0015
O3    .0190 -.0050 .7500  .5
D5    .0690 -.0230 .8300  .5
D6    .0926  .0281 .7042  .5  .0391  .0095  .0524 -.0104 -.0010  .0121
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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: HOX(XR)
_database_code_amcsd 0009458
8.035 10.309 3.795 90 90 90 P2_12_12
atom     x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3876  .2264 .4249       .0085  .0049  .0377 -.0013  .0005 -.0011
H1   .4749  .2657 .2902    4
H2   .4248  .1519 .5425    4
H3   .2912  .2007 .2882    4
H4   .3553  .2935 .5810    4
C    .0917  .0230 .0707       .0060  .0052  .0284 -.0010 -.0028 -.0003
O1   .2021 -.0591 .1416       .0060  .0048  .0628  .0011  .0000  .0054
O2   .1178  .1406  .002       .0074  .0038  .0643 -.0013 -.0037  .0034
Ow       0     .5 .1860       .0073  .0060  .0516 -.0006      0      0
Hw   .0841  .4829 .0467    4
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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: NOX(XR)
_database_code_amcsd 0009459
8.025 10.300 3.799 90 90 90 P2_12_12
atom     x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3869  .2262 .4253       .0080  .0042  .0377 -.0010  .0001 -.0002
H1   .4749  .2657 .2902    4
H2   .4248  .1519 .5425    4
H3   .2912  .2007 .2882    4
H4   .3553  .2935 .5810    4
C    .0927  .0244 .0702       .0057  .0040  .0269 -.0008 -.0007  .0000
O1   .2017 -.0587 .1410       .0060  .0047  .0636  .0004 -.0002  .0052
O2   .1182  .1408 .0015       .0072  .0039  .0599 -.0015 -.0044  .0046
Ow       0     .5 .1860       .0066  .0058  .0528  .0000      0      0
Hw   .0841  .4829 .0467    4
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Oxammite
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Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: DOX(XR)
_database_code_amcsd 0009460
8.027 10.298 3.816 90 90 90 P2_12_12
atom     x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3867  .2265 .4259       .0080  .0040  .0389 -.0012  .0004 -.0006
H1   .4749  .2657 .2902    4
H2   .4248  .1519 .5425    4
H3   .2912  .2007 .2882    4
H4   .3553  .2935 .5810    4
C    .0929  .0244 .0710       .0059  .0038  .0262 -.0003 -.0011  .0002
O1   .2015 -.0589 .1410       .0058  .0042  .0624  .0005 -.0002  .0053
O2   .1178  .1408 .0018       .0070  .0024  .0642 -.0012 -.0050  .0039
Ow       0     .5 .1877       .0066  .0058  .0518  .0001      0      0
Hw   .0841  .4829 .0467    4
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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: HOX(N)
_database_code_amcsd 0009461
8.035 10.309 3.795 90 90 90 P2_12_12
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3868  .2265 .4245  .0070  .0038  .0284 -.0008  .0008 -.0005
H1   .4747  .2677 .2614  .0087  .0071  .0516 -.0012  .0032  .0004
H2   .4327  .1492 .5608  .0156  .0067  .0450  .0001 -.0013  .0028
H3   .2891  .1981 .2745  .0110  .0077  .0513 -.0017 -.0040 -.0001
H4   .3492  .2969 .6034  .0125  .0069  .0530 -.0002  .0043 -.0060
C    .0923  .0233 .0705  .0040  .0031  .0227 -.0003 -.0016  .0015
O1   .2017 -.0580 .1439  .0041  .0045  .0554  .0006 -.0005  .0050
O2   .1177  .1406 .0019  .0062  .0031  .0532 -.0010 -.0046  .0034
Ow       0     .5 .1879  .0045  .0049  .0387  .0004      0      0
Hw   .0968  .4821 .0375  .0083  .0080  .0612 -.0003  .0025 -.0037
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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: NOX(N)
_database_code_amcsd 0009462
8.025 10.300 3.799 90 90 90 P2_12_12
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3867  .2266 .4251  .0080  .0048  .0344 -.0012  .0000 -.0005
C    .0921  .0232 .0701  .0049  .0035  .0310 -.0005 -.0006  .0008
O1   .2018 -.0587 .1423  .0058  .0051  .0593  .0004 -.0002  .0046
O2   .1176  .1410 .0012  .0065  .0043  .0579 -.0013 -.0046  .0034
Wat      0     .5 .1855  .0064  .0062  .0447  .0001      0      0
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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=3340
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: DOX(N)
_database_code_amcsd 0009463
8.027 10.298 3.816 90 90 90 P2_12_12
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3868  .2266 .4251  .0077  .0043  .0317 -.0009 -.0001 -.0006
H1   .4750  .2678 .2638  .0086  .0069  .0442 -.0018  .0041  .0003
H2   .4335  .1475 .5587  .0126  .0048  .0451  .0004 -.0021  .0030
H3   .2874  .1970 .2723  .0084  .0066  .0470 -.0022 -.0032 -.0008
H4   .3501  .2970 .6021  .0121  .0054  .0410  .0000  .0033 -.0035
C    .0922  .0237 .0703  .0043  .0031  .0261 -.0005 -.0011  .0011
O1   .2017 -.0586 .1410  .0048  .0044  .0600  .0003 -.0004  .0055
O2   .1176  .1406 .0022  .0063  .0033  .0568 -.0013 -.0044  .0040
Ow       0     .5 .1835  .0061  .0047  .0450 -.0005      0      0
Hw   .0957  .4811 .0382  .0065  .0057  .0523 -.0001  .0035 -.0005
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F6 Mo
 
Levy J, Taylor J, Wilson P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=398
Acta Crystallographica B31 (1975) 398-401
Structures of fluorides. IX. The orthorhombic form of molybdenum
hexafluoride
_cod_database_code 1008000
_database_code_amcsd 0015948
9.559 8.668 5.015 90 90 90 Pnma
atom     x     y      z
Mo1  .1224   .25  .1043
F1   .0155   .25 -.1978
F2   .2559   .25  .3744
F3   .0221 .0993  .2446
F4    .232 .1120 -.0711
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I3 U
 
Levy J, Taylor J, Wilson P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=880
Acta Crystallographica B31 (1975) 880-882
The structure of uranium(III) triiodide by neutron diffraction
_cod_database_code 1008021
_database_code_amcsd 0015969
14.011 4.328 10.005 90 90 90 Ccmm
atom      x y      z
U1    .2562 0    .25
I1   -.0789 0    .25
I2    .3557 0 -.0661
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Mutinaite
 
Taylor J C, Miller S A, Bibby D M
 
Zeitschrift fur Kristallographie 176 (1986) 183-192
A study of decomposition methods for refinement of H+-ZSM5 zeolite
with powder diffraction data
Locality: synthetic
Note: dehydrated mutinaite
_database_code_amcsd 0010960
20.108 19.918 13.392 90 90 90 Pnma
atom      x      y      z Biso
Si1   .4264  .0581 -.3396  1.2
Si2   .3096  .0297 -.1814  1.2
Si3   .2755  .0603  .0350  1.2
Si4   .1198  .0617  .0287  1.2
Si5   .0699  .0253 -.1862  1.2
Si6   .1884  .0593 -.3273  1.2
Si7   .4263 -.1707 -.3284  1.2
Si8   .3138 -.1280 -.1759  1.2
Si9   .2697 -.1752  .0366  1.2
Si10  .1186 -.1744  .0356  1.2
Si11  .0728 -.1288 -.1786  1.2
Si12  .1929 -.1734 -.3098  1.2
O1    .3733  .0565 -.2449  2.2
O2    .3090  .0604 -.0728  2.2
O3    .1977  .0488  .0212  2.2
O4    .0949  .0589 -.0850  2.2
O5    .1208  .0560 -.2668  2.2
O6    .2421  .0569 -.2405  2.2
O7    .3777 -.1534 -.2264  2.2
O8    .3076 -.1623 -.0720  2.2
O9    .1933 -.1568  .0359  2.2
O10   .0926 -.1579 -.0743  2.2
O11   .1241 -.1531 -.2635  2.2
O12   .2498 -.1554 -.2356  2.2
O13   .2994 -.0495 -.1728  2.2
O14   .0804 -.0525 -.1670  2.2
O15   .4207  .1275 -.3816  2.2
O16   .4050  .0018 -.4180  2.2
O17   .3974 -.1315 -.4268  2.2
O18   .1893  .1288 -.3762  2.2
O19   .2001 -.0003 -.4029  2.2
O20   .2016 -.1277 -.4119  2.2
O21  -.0038  .0463 -.2139  2.2
O22  -.0004 -.1504 -.2077  2.2
O23   .4237   -.25 -.3436  2.2
O24   .2001   -.25 -.3293  2.2
O25   .2749   -.25  .0657  2.2
O26   .1048   -.25  .0579  2.2
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Saleeite
Download hom/saleeite.pdf
Miller S A, Taylor J C
Download zk/vol177/ZK177_247.pdf
Zeitschrift fur Kristallographie 177 (1986) 247-253
The crystal structure of saleeite, Mg[UO2PO4]2*10H2O
Locality: Ranger I Mine, Northern Territory, Australia
_database_code_amcsd 0010963
6.951 19.947 9.896 90 135.17 90 P2_1/c
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    -.0722 .7916 -.0212  .0151  .0259  .0086  .0004  .0091  .0008
Mg       .5     0     .5   .031   .024   .025      0   .017      0
P      .421  .752   .474   .022   .030   .018   .001   .018   .002
O1    -.081  .879  -.026   .024   .059   .030  -.011   .020  -.009
O2    -.064  .703  -.018   .036   .054   .048  -.015   .035  -.014
O3     .212  .798   .309   .024   .036   .020  -.003   .016  -.003
O4    -.456  .793  -.079   .014   .030   .004  -.008  -.001  -.002
O5    -.368  .797  -.352   .015   .046   .010  -.006   .007  -.003
O6     .294  .794   .024   .018   .024   .045  -.004   .020  -.015
Wat7   .259  .081   .428   .039   .047   .027   .009   .023  -.002
Wat8   .267  .586    .24   .034   .050   .032  -.008   .023  -.007
Wat9   .203   .57  -.074   .034   .032   .022   .002   .018   .001
Wat10 -.425  .574  -.361   .057   .055   .037  -.004   .030   .015
Wat11  .321  .997   .224   .046   .032   .038  -.008    .03  -.009
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I4 U
 
Levy J, Taylor J, Waugh A
 
Inorganic Chemistry 19 (1980) 672-674
Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron Diffraction
_cod_database_code 1008071
_database_code_amcsd 0016013
13.967 8.472 7.510 90 90.54 90 C2/c
atom     x    y     z
U1       0 .152   .25
I1    .123 .118 -.086
I2   -.134 .382  .100
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F6 U
 
Levy J, Taylor J, Waugh A
 
Journal of Fluorine Chemistry 23 (1983) 29-36
Neutron powder structural studies of U F6, Mo F6 and W F6 at 77 K
_cod_database_code 1008211
_database_code_amcsd 0016147
9.654 8.776 5.084 90 90 90 Pnma
atom     x     y      z
U1   .1306   .25   .075
F1   .0054   .25 -.2417
F2   .2518   .25  .3915
F3   .0049 .0854  .2326
F4   .2508 .0851 -.0758
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F6 Mo
 
Levy J, Taylor J, Waugh A
 
Journal of Fluorine Chemistry 23 (1983) 29-36
Neutron powder structural studies of U F6, Mo F6 and W F6 at 77 K
_cod_database_code 1008212
_database_code_amcsd 0016148
9.387 8.530 4.953 90 90 90 Pnma
atom      x     y      z
Mo1   .1285   .25  .0856
F1    .0115   .25 -.2086
F2   -.2033   .25  .2441
F3     .017 .0993  .2423
F4    .2375 .1047 -.0706
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F6 W
 
Levy J, Taylor J, Waugh A
 
Journal of Fluorine Chemistry 23 (1983) 29-36
Neutron powder structural studies of U F6, Mo F6 and W F6 at 77 K
_cod_database_code 1008213
_database_code_amcsd 0016149
9.422 8.569 4.980 90 90 90 Pnma
atom     x     y      z
W1   .1278   .25  .0856
F1   .0115   .25 -.2086
F2   .2432   .25  .3695
F3   .0177 .0979  .2381
F4   .2387 .0932 -.0624
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F4 O U
 
Levy J, Taylor J, Wilson P
 
Journal of Inorganic and Nuclear Chemistry 39 (1977) 1989-1991
The structures of fluorides-XVII neutron diffraction study of alpha-
uranium oxide tetrafluoride
_cod_database_code 1008255
_database_code_amcsd 0016177
13.095 13.095 5.658 90 90 120 R3m
atom     x      y     z
U1   .8623 -.8623     0
O1   .4666 -.4666 .1226
F1   .5912 -.5912 .5490
F2   .0445  .7589 .9146
F3   .2514 -.2514 .3862
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Br5 U
 
Levy J, Taylor J, Wilson P
 
Journal of Inorganic and Nuclear Chemistry 40 (1978) 1055-1057
The crystal structure of uranium pentabromide by powder neutron diffraction
_cod_database_code 1008256
_database_code_amcsd 0016178
7.449 10.127 6.686 89.25 117.56 108.87 P-1
atom     x    y     z
U1    .224 .223  .099
Br1  -.197 .043  .052
Br2   .391 .163  .531
Br3   .002 .264 -.316
Br4   .595 .352  .121
Br5   .189 .445  .280
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F6 W
 
Levy J, Taylor J, Wilson P
 
Journal of Solid State Chemistry 15 (1975) 360-365
The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten
Hexafluoride at 193 K by Neutron Diffraction
_cod_database_code 1008034
_database_code_amcsd 0015981
9.603 8.713 5.044 90 90 90 Pnma
atom     x     y      z
W1   .1247   .25  .0999
F1   .0145   .25 -.1952
F2   .2452   .25  .3717
F3   .0212 .0967  .2330
F4   .2357 .1075 -.0624
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F6 U
 
Levy J, Taylor J, Wilson P
 
Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1976 (1976) 219-224
Structure of fluorides. Part XII. single-crystal neutron diffraction
study of uranium hexafluoride at 293 K
_cod_database_code 1008004
_database_code_amcsd 0015952
9.900 8.962 5.207 90 90 90 Pnma
atom     x     y      z
U1   .1295   .25  .0799
F1   .0126   .25 -.2289
F2   .2471   .25  .3895
F3   .0143 .0947  .2378
F4   .2443 .0937 -.0760
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Br3 U
 
Levy J, Taylor J, Wilson P
 
Journal of the Less-Common Metals 39 (1975) 265-270
The structure of uranium tribromide by neutron diffraction profile analysis
_cod_database_code 1008035
_database_code_amcsd 0015982
7.942 7.942 4.441 90 90 120 P6_3/m
atom     x     y   z
U1     2/3   1/3 .25
Br1  .2996 .3859 .25
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Total number of retrieved datasets: 20
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