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NaCo2S2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
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shortest known hydrogen bonds among mineral-type compounds |
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Part I: single-crystal X-ray structures |
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Sample: T = 293 K |
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_database_code_amcsd 0007246 |
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8.677 6.317 7.396 90 115.40 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .5 .0297 .0145 .0504 .0232 0 .0071 0 |
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Co .25 .25 0 .0081 .0075 .0064 .0100 .0004 .0035 -.0003 |
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S .09526 0 .29462 .0068 .0056 .0073 .0066 0 .0019 0 |
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O1 .19383 0 .16814 .0109 .0131 .0098 .0140 0 .0098 0 |
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O2 .21857 0 .50265 .0142 .0115 .0180 .0078 0 -.0009 0 |
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O3 -.01275 .19296 .24614 .0108 .0084 .0088 .0131 .0020 .0028 -.0003 |
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Oh .15474 .5 .08685 .0086 .0074 .0085 .0103 0 .0042 0 |
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H1 .057 .5 .034 .5 .019 |
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H2 .183 .5 .193 .040 |
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NaCo2S2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
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shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
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Sample: T = 105 K |
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_database_code_amcsd 0007247 |
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8.659 6.281 7.368 90 115.41 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .5 .0122 .0068 .0189 .0105 0 .0033 0 |
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Co .25 .25 0 .0037 .0035 .0030 .0044 .0002 .0016 -.0001 |
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S .09484 0 .29532 .0033 .0029 .0034 .0033 0 .0010 0 |
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O1 .19166 0 .16573 .0056 .0069 .0052 .0069 0 .0052 0 |
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O2 .22052 0 .50346 .0065 .0054 .0081 .0038 0 -.0003 0 |
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O3 -.01342 .19401 .24832 .0054 .0044 .0042 .0065 .0013 .0014 .0002 |
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Oh .15438 .5 .08750 .0047 .0043 .0049 .0050 0 .0020 0 |
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H1 .054 .5 .030 .5 .020 |
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H2 .182 .5 .197 .042 |
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NaNi2S2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
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shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
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Sample: T = 293 K |
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_database_code_amcsd 0007248 |
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8.605 6.185 7.336 90 114.78 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .5 .0247 .0149 .0372 .0224 0 .0081 0 |
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Ni .25 .25 0 .0079 .0072 .0067 .0099 .0002 .0037 -.0002 |
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S .09180 0 .29111 .0070 .0059 .0077 .0071 0 .0025 0 |
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O1 .18889 0 .15953 .0107 .0126 .0096 .0143 0 .0099 0 |
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O2 .21735 0 .49802 .0138 .0115 .0177 .0078 0 -.0001 0 |
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O3 -.01593 .19671 .24532 .0103 .0083 .0087 .0127 .0019 .0032 -.0001 |
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Oh .15451 .5 .08712 .0087 .0076 .0082 .0110 0 .0046 0 |
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H1 .060 .5 .034 .5 .017 |
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H2 .188 .5 .195 .048 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaNi2S2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
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Sample: T = 105 K |
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_database_code_amcsd 0007249 |
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8.595 6.172 7.319 90 114.81 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .5 .0112 .0072 .0156 .0109 0 .0039 0 |
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Ni .25 .25 0 .0042 .0038 .0037 .0052 .0000 .0018 -.0000 |
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S .09153 0 .29159 .0040 .0034 .0043 .0042 0 .0014 0 |
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O1 .18741 0 .15756 .0059 .0066 .0058 .0076 0 .0052 0 |
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O2 .21880 0 .49844 .0072 .0056 .0089 .0050 0 .0001 0 |
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O3 -.01640 .19743 .24678 .0057 .0047 .0047 .0069 .0013 .0012 .0004 |
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Oh .15434 .5 .08772 .0056 .0053 .0055 .0064 0 .0029 0 |
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H1 .049 .5 .028 .5 .014 |
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H2 .183 .5 .196 .032 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaCo2Se2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
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shortest known hydrogen bonds among mineral-type compounds |
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Part I: single-crystal X-ray structures |
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Sample: T = 293 K |
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_database_code_amcsd 0007250 |
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8.939 6.382 7.554 90 115.09 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .5 .5 .0242 .0201 .0300 .0242 0 .0109 0 |
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Co .25 .25 0 .0111 .0105 .0107 .0119 .0001 .0046 -.0001 |
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Se .08896 0 .29501 .0098 .0087 .0112 .0090 0 .0033 0 |
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O1 .18607 0 .14883 .0143 .0175 .0136 .0176 0 .0130 0 |
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O2 .23093 0 .51570 .0191 .0177 .0241 .0103 0 .0008 0 |
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O3 -.02689 .21186 .24960 .0141 .0119 .0123 .0162 .0029 .0040 -.0004 |
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Oh .15206 .5 .08207 .0119 .0104 .0133 .0126 0 .0054 0 |
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H1 .059 .5 .039 .5 .006 |
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H2 .189 .5 .200 .036 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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KCo2Se2O10H3 |
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Krickl R, Wildner M |
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European Journal of Mineralogy 19 (2007) 805-816 |
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Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
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shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 293 K |
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_database_code_amcsd 0007251 |
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9.078 6.471 7.687 90 113.99 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .5 .0160 .0139 .0193 .0142 0 .0050 0 |
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Co .25 .25 0 .0098 .0089 .0078 .0122 .0001 .0038 -.0002 |
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Se .08213 0 .28441 .96 .0083 .0072 .0089 .0087 0 .0031 0 |
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Cr .08213 0 .28441 .04 .0083 .0072 .0089 .0087 0 .0031 0 |
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O1 .19589 0 .15910 .0121 .0136 .0111 .0158 0 .0102 0 |
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O2 .19819 0 .50743 .0222 .0178 .0342 .0099 0 .0008 0 |
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O3 -.03048 .20959 .22700 .0134 .0110 .0103 .0168 .0026 .0036 -.0012 |
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Oh .15216 .5 .08125 .0115 .0102 .0097 .0158 0 .0066 0 |
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H1 .056 .5 .052 .5 .06 |
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H2 .181 .5 .187 .035 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Friedrichbeckeite |
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Lengauer C L, Hrauda N, Kolitsch U, Krickl R, Tillmanns E |
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Mineralogy and Petrology 96 (2009) 221-232 |
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Friedrichbeckeite, K(_0.5Na0.5)2(Mg0.8Mn0.1Fe0.1)2(Be0.6Mg0.4)3[Si12O30], |
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a new milarite-type mineral from the Bellerberg volcano, Eifel area, Germany |
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Locality: Bellerberg volcano, Eifel area, Germany |
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_database_code_amcsd 0014649 |
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9.970 9.970 14.130 90 90 120 P6/mcc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KC 0 0 .25 .926 .0265 .0242 .0242 .0309 .0121 0 0 |
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NaB 1/3 2/3 .0204 .193 .030 .020 .020 .05 .010 0 0 |
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MgA 1/3 2/3 .25 .807 .0160 .0157 .0157 .0165 .00785 0 0 |
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MnA 1/3 2/3 .25 .193 .0160 .0157 .0157 .0165 .00785 0 0 |
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BeT2 .5 0 .25 .607 .0114 .0140 .0059 .0117 .00295 0 0 |
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MgT2 .5 0 .25 .393 .0114 .0140 .0059 .0117 .00295 0 0 |
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SiT1 .10056 .35367 .10910 .0123 .0115 .0119 .0132 .0057 -.0002 -.0021 |
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O1 .1190 .4085 0 .0294 .047 .024 .0124 .014 0 0 |
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O2 .2107 .2814 .1284 .0299 .0290 .0393 .0358 .0277 -.0006 -.0040 |
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O3 .1353 .4918 .1790 .0222 .0304 .0193 .0222 .0164 -.0106 -.0094 |
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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
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