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7 matching records for this search.

Oxammite

Taylor J C, Sabine T M

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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View JMOL 3-D Structure (permalink)

Oxammite

Taylor J C, Sabine T M

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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View JMOL 3-D Structure (permalink)

Oxammite

Taylor J C, Sabine T M

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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View JMOL 3-D Structure (permalink)

Oxammite

Taylor J C, Sabine T M

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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View JMOL 3-D Structure (permalink)

Oxammite

Taylor J C, Sabine T M

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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)

Oxammite

Taylor J C, Sabine T M

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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View JMOL 3-D Structure (permalink)

Oxammite

Hendriks S, Jefferson M

Journal of Chemical Physics 4 (1936) 102-107

Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of

the oxalate group

_cod_database_code 1011115

_database_code_amcsd 0018010

8.04 10.27 3.82 90 90 90 P2_12_12

atom x y z

C1 .092 .027 .07

O1 .2 -.056 .14

O2 .118 .142 0

N1 .386 .228 .43

Wat3 0 .5 .2

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View JMOL 3-D Structure (permalink)

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Total number of retrieved datasets: 7
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