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Datolite |
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Foit F F, Phillips M W, Gibbs G V |
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American Mineralogist 58 (1973) 909-914 |
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A refinement of the crystal structure of datolite, CaBSiO4(OH) |
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_database_code_amcsd 0000387 |
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4.832 7.608 9.636 90 90.40 90 P2_1/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .99176 .10618 .33611 .00332 .00166 .00087 -.00023 .00019 -.00007 |
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Si .46882 .26626 .08440 .00248 .00102 .00058 .00033 .00009 -.00007 |
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B .5683 .4107 .3415 .00283 .00148 .00107 -.00008 .00019 .00025 |
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O1 .2401 .4008 .0376 .00611 .00278 .00156 .00108 -.00013 -.00002 |
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O2 .6694 .3010 .4575 .00488 .00267 .00107 .00072 .00020 .00038 |
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O3 .6755 .3346 .2104 .00423 .00284 .00092 .00059 -.00008 -.00050 |
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O4 .3152 .0876 .1460 .00602 .00137 .00187 .00006 .00111 .00008 |
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O5 .2588 .4137 .3363 .00387 .00298 .00156 .00087 .00035 .00004 |
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H .20 .444 .405 .00835 .00337 .00210 .00000 .00003 .00000 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Datolite |
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Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
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American Mineralogist 89 (2004) 767-776 |
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The atomic structure of bakerite and its relationship to datolite |
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Sample: #45837, single crystal data |
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_database_code_amcsd 0003540 |
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4.850 7.627 9.659 90 90.255 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .9916 .1066 .3357 .012 .011 .012 .013 .000 .001 .000 |
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Si .4692 .2657 .0846 .011 .011 .011 .011 .000 .001 -.001 |
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B .5692 .4107 .3417 .010 .008 .011 .012 .001 -.001 -.002 |
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O1 .2430 .4011 .0374 .013 .013 .013 .014 .002 -.001 -.001 |
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O2 .6707 .3006 .4581 .011 .008 .014 .013 .001 .000 .001 |
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O3 .6755 .3335 .2107 .012 .010 .014 .012 .000 -.001 -.001 |
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O4 .3148 .0877 .1462 .011 .010 .010 .015 -.001 .003 .001 |
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O5 .2587 .4130 .3356 .012 .010 .015 .012 .002 .001 -.002 |
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H .234 .455 .401 .020 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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_database_code_amcsd 0017699 |
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4.8354 7.6082 9.6335 90 90.158 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00832 .60617 .16388 .0064 .0068 .0071 .0055 .0005 .0004 .0000 |
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B .56839 .08950 -.15909 .0051 .0053 .0059 .0042 .0002 .0007 .0003 |
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Si .46883 .26615 .08438 .0043 .0052 .0042 .0034 .0003 .0000 -.0002 |
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O1 .24051 .40104 .03745 .0074 .0083 .0071 .0068 .0024 -.0008 -.0001 |
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O2 .66987 .19903 -.04273 .0063 .0071 .0070 .0049 -.0010 .0009 -.0019 |
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O3 .67508 .33472 .21044 .0062 .0064 .0084 .0039 .0003 .0003 -.0016 |
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O4 .31509 .08787 .14600 .0070 .0080 .0043 .0086 .0003 .0024 .0008 |
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O5 .25854 .08652 -.16342 .0074 .0055 .0103 .0063 -.0007 .0004 .0009 |
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H .207 .0523 -.0879 .029 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Boccassuolo, Modena, Italy |
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_database_code_amcsd 0017700 |
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4.8332 7.6082 9.6342 90 90.147 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00835 .60619 .16389 .0067 .0073 .0079 .0049 .0005 -.0002 .0001 |
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B .5685 .08941 -.15925 .0056 .0067 .0065 .0035 .0006 -.0003 .0003 |
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Si .46894 .26609 .08439 .0045 .0057 .0050 .0027 .0006 -.0007 -.0003 |
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O1 .24029 .40110 .03750 .0079 .0083 .0087 .0066 .0029 -.0020 -.0004 |
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O2 .67035 .19913 -.04276 .0067 .0075 .0086 .0040 -.0012 .0007 -.0019 |
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O3 .67535 .33466 .21047 .0066 .0073 .0096 .0029 .0000 -.0007 -.0017 |
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O4 .31490 .08794 .14605 .0072 .0082 .0055 .0080 .0004 .0016 .0008 |
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O5 .25877 .08655 -.16350 .0077 .0063 .0106 .0062 -.0011 -.0003 .0008 |
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H .216 .037 -.096 .028 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Campotrera, Reggio Emilia, Italy |
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_database_code_amcsd 0017701 |
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4.8355 7.6102 9.6317 90 90.150 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00835 .60622 .16387 .0063 .0058 .0073 .0058 .0005 .0002 .0000 |
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B .5682 .08946 -.15914 .0051 .0048 .0058 .0048 -.0002 .0001 -.0002 |
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Si .46903 .26609 .08442 .0042 .0043 .0046 .0039 .0003 -.0002 -.0002 |
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O1 .24040 .40095 .03741 .0077 .0077 .0076 .0077 .0025 -.0014 -.0002 |
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O2 .66992 .19887 -.04268 .0062 .0059 .0077 .0051 -.0012 .0011 -.0023 |
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O3 .67513 .33452 .21048 .0061 .0055 .0085 .0043 .0000 -.0003 -.0018 |
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O4 .31507 .08816 .14600 .0070 .0070 .0046 .0094 .0005 .0025 .0007 |
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O5 .25878 .08650 -.16356 .0073 .0045 .0107 .0066 -.0006 .0003 .0011 |
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H .199 .048 -.088 .022 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Sasso Puzzino, Modena, Italy |
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_database_code_amcsd 0017702 |
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4.8336 7.6076 9.6298 90 90.165 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00828 .60620 .16386 .0062 .0058 .0066 .0062 .0005 .0000 -.0001 |
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B .5686 .0894 -.15918 .0053 .0047 .0056 .0057 .0002 -.0004 .0002 |
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Si .46889 .26612 .08436 .0041 .0040 .0040 .0042 .0005 -.0004 -.0004 |
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O1 .2400 .40078 .03753 .0071 .0069 .0070 .0075 .0031 -.0013 .0001 |
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O2 .6697 .19901 -.04245 .0060 .0056 .0071 .0054 -.0010 .0004 -.0022 |
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O3 .6754 .33464 .21044 .0060 .0054 .0079 .0047 .0002 -.0005 -.0022 |
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O4 .3153 .08795 .14589 .0071 .0069 .0039 .0104 -.0002 .0021 .0010 |
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O5 .2586 .08613 -.16341 .0073 .0047 .0097 .0074 -.0010 .0002 .0006 |
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H .205 .051 -.094 .037 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Cinghi, Boccassuolo-Modena, Italy |
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_database_code_amcsd 0017703 |
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4.8361 7.6155 9.6392 90 90.134 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00838 .60613 .16386 .0070 .0073 .0071 .0066 .0004 .0004 .0000 |
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B .5685 .08943 -.15906 .0059 .0067 .0061 .0049 .0000 .0004 .0004 |
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Si .46897 .26613 .08442 .0048 .0057 .0044 .0045 .0003 .0000 -.0002 |
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O1 .24048 .40086 .03762 .0081 .0090 .0075 .0079 .0025 -.0011 -.0003 |
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O2 .67002 .19910 -.04259 .0070 .0074 .0077 .0058 -.0013 .0012 -.0021 |
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O3 .67496 .33448 .21036 .0069 .0073 .0084 .0051 .0001 -.0004 -.0015 |
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O4 .31472 .08787 .14591 .0077 .0083 .0049 .0100 .0001 .0024 .0010 |
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O5 .25896 .08649 -.16333 .0079 .0061 .0102 .0075 -.0006 .0008 .0009 |
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H .214 .048 -.094 .032 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Arendal, Norway |
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_database_code_amcsd 0017704 |
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4.8356 7.6114 9.6341 90 90.158 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00832 .60617 .16393 .0064 .0064 .0073 .0056 .0005 .0003 .0000 |
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B .56794 .08929 -.15911 .0051 .0055 .0056 .0042 -.0002 .0003 .0004 |
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Si .46891 .26615 .08439 .0044 .0050 .0047 .0034 .0004 -.0002 -.0003 |
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O1 .24076 .40091 .03742 .0078 .0084 .0080 .0069 .0026 -.0010 -.0003 |
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O2 .67004 .19900 -.04251 .0063 .0066 .0073 .0050 -.0015 .0007 -.0019 |
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O3 .67495 .33449 .21045 .0062 .0062 .0083 .0039 -.0001 -.0001 -.0017 |
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O4 .31495 .08789 .14598 .0071 .0075 .0053 .0084 .0004 .0023 .0007 |
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O5 .25883 .08650 -.16350 .0074 .0054 .0104 .0065 -.0007 .0002 .0008 |
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H .213 .047 -.0930 .030 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 280 K |
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_database_code_amcsd 0017705 |
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4.8355 7.6085 9.6326 90 90.159 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00833 .60616 .16388 .0062 .0065 .0068 .0053 .0004 .0006 .0000 |
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B .56856 .08933 -.15914 .0052 .0059 .0056 .0040 .0002 .0001 .0003 |
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Si .46899 .26620 .08436 .0041 .0049 .0043 .0031 .0003 .0002 -.0002 |
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O1 .24063 .40112 .03738 .0072 .0076 .0073 .0068 .0022 -.0010 -.0003 |
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O2 .66991 .19903 -.04253 .0061 .0066 .0071 .0045 -.0008 .0010 -.0018 |
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O3 .67520 .33451 .21047 .0061 .0061 .0083 .0038 .0004 .0004 -.0015 |
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O4 .31489 .08791 .14591 .0067 .0074 .0046 .0082 .0004 .0024 .0009 |
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O5 .25889 .08651 -.16344 .0071 .0054 .0099 .0061 -.0008 .0006 .0011 |
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H .206 .048 -.092 .030 .012 .032 .046 .006 -.005 -.003 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 250 K |
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_database_code_amcsd 0017706 |
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4.8330 7.6074 9.6310 90 90.175 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00835 .60620 .16389 .0056 .0060 .0061 .0047 .0004 .0005 .0001 |
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B .56831 .08931 -.15912 .0047 .0053 .0053 .0036 .0004 .0004 .0001 |
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Si .46911 .26634 .08435 .0038 .0047 .0038 .0029 .0003 .0002 -.0001 |
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O1 .24073 .40130 .03729 .0065 .0070 .0066 .0060 .0019 -.0006 -.0003 |
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O2 .67008 .19905 -.04246 .0058 .0064 .0066 .0043 -.0010 .0007 -.0017 |
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O3 .67541 .33463 .21049 .0056 .0059 .0076 .0032 .0003 .0007 -.0013 |
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O4 .31504 .08798 .14594 .0062 .0071 .0045 .0070 .0002 .0025 .0008 |
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O5 .25889 .08654 -.16348 .0065 .0048 .0091 .0055 -.0010 .0006 .0010 |
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H .207 .050 -.092 .035 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 220 K |
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_database_code_amcsd 0017707 |
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4.8325 7.6041 9.6300 90 90.184 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00828 .60625 .16393 .0050 .0052 .0055 .0043 .0004 .0006 .0000 |
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B .56882 .08946 -.15909 .0044 .0049 .0050 .0034 .0001 .0006 .0003 |
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Si .46932 .26637 .08433 .0035 .0042 .0036 .0025 .0003 .0003 -.0002 |
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O1 .24116 .40145 .03713 .0060 .0063 .0063 .0055 .0017 -.0003 -.0002 |
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O2 .67052 .19898 -.04243 .0053 .0057 .0062 .0039 -.0008 .0008 -.0010 |
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O3 .67577 .33471 .21049 .0050 .0051 .0068 .0031 .0004 .0004 -.0011 |
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O4 .31490 .08820 .14588 .0057 .0061 .0041 .0069 .0002 .0022 .0008 |
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O5 .25916 .08658 -.16354 .0059 .0046 .0083 .0049 -.0007 .0005 .0012 |
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H .207 .0492 -.0973 .025 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 190 K |
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_database_code_amcsd 0017708 |
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4.8308 7.6011 9.6290 90 90.176 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00821 .60626 .16395 .0045 .0047 .0049 .0039 .0003 .0003 .0001 |
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B .56919 .08924 -.15927 .0041 .0044 .0042 .0037 .0001 .0001 -.0001 |
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Si .46940 .26645 .08429 .0031 .0038 .0032 .0023 .0002 .0001 -.0002 |
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O1 .24095 .40161 .03728 .0054 .0059 .0053 .0049 .0016 -.0004 -.0003 |
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O2 .67107 .19886 -.04244 .0048 .0053 .0055 .0035 -.0005 .0006 -.0015 |
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O3 .67594 .33462 .21057 .0046 .0051 .0060 .0028 .0000 .0001 -.0011 |
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O4 .31449 .08821 .14588 .0051 .0058 .0037 .0059 .0001 .0018 .0006 |
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O5 .25875 .08665 -.16356 .0055 .0041 .0076 .0047 -.0006 .0003 .0009 |
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H .203 .0537 -.0901 .024 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
|
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 160 K |
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_database_code_amcsd 0017709 |
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4.8303 7.6011 9.6292 90 90.180 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00823 .60628 .16398 .0041 .0043 .0044 .0036 .0002 .0004 .0000 |
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B .56915 .08918 -.15908 .0039 .0041 .0041 .0035 -.0002 .0003 .0002 |
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Si .46953 .26652 .08426 .0030 .0035 .0032 .0024 .0002 .0002 -.0001 |
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O1 .24119 .40174 .03721 .0050 .0053 .0052 .0046 .0012 .0000 -.0004 |
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O2 .67100 .19902 -.04245 .0045 .0048 .0051 .0036 -.0005 .0004 -.0011 |
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O3 .67631 .33466 .21064 .0044 .0046 .0056 .0029 .0001 .0002 -.0011 |
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O4 .31466 .08819 .14591 .0047 .0052 .0031 .0059 .0001 .0016 .0006 |
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O5 .25889 .08670 -.16354 .0050 .0036 .0069 .0044 -.0006 .0001 .0009 |
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H .212 .0522 -.0868 .032 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
|
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
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Note: T = 130 K |
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_database_code_amcsd 0017710 |
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4.8298 7.6002 9.6321 90 90.183 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00821 .60628 .16398 .0035 .0037 .0039 .0030 .0002 .0003 .0001 |
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B .56930 .08934 -.15908 .0035 .0036 .0041 .0029 -.0001 .0002 .0000 |
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Si .46966 .26660 .08426 .0026 .0030 .0027 .0021 .0001 .0002 -.0001 |
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O1 .24102 .40192 .03711 .0043 .0045 .0042 .0043 .0011 -.0004 -.0002 |
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O2 .67129 .19890 -.04238 .0040 .0043 .0045 .0032 -.0002 .0005 -.0009 |
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O3 .67642 .33458 .21062 .0038 .0042 .0048 .0025 .0001 .0003 -.0009 |
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O4 .31455 .08837 .14577 .0042 .0046 .0031 .0048 .0001 .0013 .0004 |
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O5 .25886 .08678 -.16344 .0046 .0033 .0063 .0041 -.0005 .0007 .0009 |
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H .203 .0514 -.0883 .025 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Datolite |
|
Rinaldi R, Gatta G D, Angel R J |
|
American Mineralogist 95 (2010) 1413-1421 |
|
Crystal chemistry and low-temperature behavior of datolite: |
|
a single-crystal X-ray diffraction study |
|
Locality: Valmozzola, Parma, Italy |
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Note: T = 100 K |
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_database_code_amcsd 0017711 |
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4.8284 7.5995 9.6310 90 90.180 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .00814 .60632 .16403 .0031 .0033 .0035 .0026 .0002 .0002 .0000 |
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B .56934 .08914 -.15888 .0033 .0036 .0033 .0030 -.0001 -.0001 .0001 |
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Si .46979 .26666 .08422 .0024 .0028 .0025 .0018 .0002 .0002 -.0001 |
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O1 .24114 .40207 .03707 .0041 .0041 .0044 .0039 .0008 -.0004 -.0001 |
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O2 .67150 .19890 -.04237 .0037 .0041 .0041 .0028 -.0004 .0006 -.0009 |
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O3 .67669 .33469 .21060 .0035 .0037 .0047 .0022 .0001 .0004 -.0008 |
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O4 .31451 .08842 .14588 .0039 .0042 .0029 .0045 .0002 .0010 .0004 |
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O5 .25872 .08669 -.16351 .0042 .0032 .0057 .0036 -.0006 .0004 .0008 |
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H .208 .0511 -.0874 .029 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Datolite |
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Ivanov Y V, Belokoneva E L |
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Acta Crystallographica B63 (2007) 49-55 |
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Multipole refinement and electron density analysis in natural borosilicate |
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datolite using X-ray diffraction data |
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Locality: datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains |
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_database_code_amcsd 0009947 |
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9.646 7.620 4.839 90 90.14 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .336100 .106130 .99161 .00639 .00589 .00680 .00647 -.00007 .00041 -.00047 |
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B .34077 .41057 .56786 .0054 .00482 .00566 .00583 -.00014 .00031 -.00006 |
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Si .084380 .26617 .46891 .00425 .00371 .00411 .00492 -.00028 .00006 .00032 |
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O1 .03739 .40109 .24048 .0074 .00735 .00702 .00792 -.00029 -.00136 .00287 |
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O2 .45730 .30115 .67017 .0063 .00488 .00751 .00637 .00201 .00101 .00095 |
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O3 .21047 .33474 .67514 .0063 .00451 .00832 .00601 -.00182 -.00005 .00027 |
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O4 .14598 .08787 .31499 .0070 .00888 .00427 .00798 .00083 .00233 .00022 |
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O5 .33680 .41344 .25851 .0073 .00700 .00978 .00509 -.00055 .00020 .00063 |
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H .584 .552 .829 .036 |
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View JMOL 3-D Structure (permalink) |
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Datolite |
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Pavlov P V, Belov N V |
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Soviet Physics Crystallography 4 (1959) 300-314 |
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The structures of herderite, datolite and gadolinite determined by direct |
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methods |
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Locality: origin of crystal not given |
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_database_code_amcsd 0015536 |
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9.62 7.60 4.84 90 90. 90 P2_1/a |
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atom x y z |
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Ca .339 .108 .990 |
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B .340 .410 .576 |
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Si .086 .262 .471 |
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O1 .040 .395 .242 |
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O2 .460 .304 .671 |
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O3 .210 .327 .676 |
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O4 .142 .092 .320 |
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OH5 .336 .415 .258 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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