American Mineralogist Crystal Structure Database

7 matching records for this search.

Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mg(SO4)2.4H2O, T = 100 K
_database_code_amcsd 0002727
11.778 9.469 9.851 90 95.26 90 P2_1/a
atom      x       y       z  Uiso
K1   .16666  .26914  .23925 .0085
K2   .16772 -.25681  .25944 .0081
Mg1       0       0       0 .0057
Mg2       0      .5      .5 .0053
S1   .20787  .50544 -.04393 .0050
S2   .21302 -.00636 -.48126 .0048
O1A  -.1550   .3704   .1172 .0087
O1B   .1627   .3740  -.1116 .0094
O2A   .1495   .0919  -.3993 .0088
O2B   .1803  -.1532  -.4547 .0097
O3    .1685   .0114   .0555 .0116
O4    .1827   .5079   .0981 .0115
O5    .1636   .5110   .4377 .0075
O6    .1901   .0237   .3723 .0099
Ow1A -.0353   .3398   .3598 .0079
Ow1B  .0451   .3424  -.3583 .0081
Ow2  -.0053   .2190  -.0118 .0113
Ow3   .0153  -.0103  -.2096 .0112
H1A   -.075    .276    .395  .022
H2A   -.077    .355    .282  .032
H1B    .076    .269   -.387  .020
H2B    .083    .359   -.281  .038
H3A   -.052    .270    .023  .030
H3B    .045    .270   -.036  .033
H4     .068    .008   -.257  .021
H5    -.042   -.012   -.265  .019
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mg(SO4)2.4H2O, T = 170 K
_database_code_amcsd 0002728
11.780 9.486 19.730 90 95.23 90 *I2/a
.25 .25 .5
atom       x       y        z  Uiso
K1   -.16787  .26888  -.12018 .0132
K2    .16701  .25821   .12922 .0124
Mg1        0 -.00112        0 .0080
Mg2        0      .5      .25 .0073
S1    .20754  .49638  -.02192 .0074
S2    .21271  .00706  -.24073 .0072
O1A   -.1581   .3747   .05556 .0134
O1B    .1600  -.3706  -.05912 .0132
O2A    .1504  -.0923  -.20014 .0136
O2B    .1784   .1527  -.22726 .0150
O3     .1688  -.0009   .02694 .0186
O4     .1812   .4912   .04870 .0173
O5     .1641   .4918   .21902 .0113
O6     .1902   .0228   .18618 .0149
Ow1A   .0376   .3429  -.17806 .0113
Ow1B   .0430  -.3403  -.18099 .0112
Ow2A       0   .2185        0 .0150
Ow2B       0  -.2196        0 .0187
Ow3    .0142  -.0017  -.10481 .0171
H1A     .077    .280    -.195  .020
H2A     .078    .360    -.139  .037
H1B     .074   -.272    -.195  .021
H2B     .083   -.356    -.142  .033
H3A     .049    .271    -.015  .036
H3B     .050   -.274    -.015  .044
H4      .065   -.015    -.129  .035
H5     -.041    .007    -.132  .026
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mg(SO4)2.4H2O, T = 293 K
_database_code_amcsd 0002729
11.769 9.539 9.889 90 95.31 90 C2/m
atom      x      y       z occ  Uiso
K    .16767 .26354  .24969     .0261
Mg1       0      0       0     .0140
Mg2       0     .5      .5     .0130
S1   .20760     .5 -.04326     .0131
S2   .21123      0 -.48090     .0130
O1    .1591  .3736  -.1137     .0234
O2A   .1521  .0980  -.4009  .5 .0243
O2B   .1737  .1467  -.4516  .5 .0265
O3    .1690      0   .0541     .0312
O4    .1819     .5   .0974     .0316
O5    .1652     .5   .4390     .0206
O6    .1887  .0234   .3735  .5 .0254
Ow1   .0400  .3428  -.3586     .0190
Ow2       0  .2183       0     .0273
Ow3   .0149      0  -.2088     .0291
H1     .075   .277   -.388      .033
H2     .079   .359   -.282      .041
H3     .047   .271   -.027      .050
H4     .068      0   -.256      .069
H5    -.039      0   -.260      .036
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mn(SO4)2.4H2O, T = 110 K
_database_code_amcsd 0002730
12.031 9.531 9.902 90 95.02 90 P2_1/a
atom      x       y       z  Uiso
K1   .16965  .26768  .23973 .0096
K2   .16992 -.25782  .25852 .0093
Mn1       0       0       0 .0059
Mn2       0      .5      .5 .0057
S1   .20732  .50477 -.04519 .0059
S2   .21252 -.00747 -.48027 .0057
O1A  -.1534   .3724   .1163 .0103
O1B   .1633   .3739  -.1112 .0112
O2A   .1493   .0908  -.4002 .0102
O2B   .1791  -.1528  -.4545 .0110
O3    .1725   .0127   .0611 .0149
O4    .1853   .5062   .0973 .0125
O5    .1674   .5089   .4342 .0090
O6    .1931   .0227   .3741 .0108
Ow1A -.0342   .3316   .3537 .0094
Ow1B  .0431   .3347  -.3516 .0096
Ow2  -.0051   .2279  -.0131 .0145
Ow3   .0111  -.0103  -.2198 .0133
H1A   -.070    .271    .387  .020
H2A   -.074    .351    .275  .029
H1B    .074    .265   -.380  .021
H2B    .081    .352   -.279  .032
H3A   -.049    .280    .025  .031
H3B    .043    .274   -.037  .034
H4     .060    .008   -.267  .026
H5    -.044   -.014   -.271  .023
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mn(SO4)2.4H2O, T = 185 K
_database_code_amcsd 0002731
12.035 9.549 19.839 90 94.99 90 *I2/a
.25 .25 .5
atom       x       y       z  Uiso
K1   -.16978  .26685 -.12080 .0157
K2    .17013  .25936  .12839 .0152
Mn1        0 -.00086       0 .0089
Mn2        0      .5     .25 .0086
S1    .20701  .49730 -.02242 .0088
S2    .21207  .00710 -.24013 .0087
O1A   -.1579  -.3747 -.05551 .0167
O1B    .1591  -.3718 -.05816 .0166
O2A    .1505  -.0926 -.20093 .0211
O2B    .1769   .1514 -.22669 .0230
O3     .1726  -.0008  .03002 .0240
O4     .1841   .4934  .04827 .0207
O5     .1676   .4943  .21728 .0133
O6     .1931   .0199  .18716 .0203
Ow1A   .0370   .3347 -.17515 .0139
Ow1B   .0407  -.3330 -.17715 .0137
Ow2A       0   .2271       0 .0195
Ow2B       0  -.2276       0 .0251
Ow3    .0098  -.0021 -.10993 .0208
H1A     .074    .277   -.192  .031
H2A     .076    .352   -.137  .030
H1B     .071   -.271   -.192  .030
H2B     .082   -.349    .138  .029
H3A     .043    .276   -.016  .040
H3B     .043   -.278   -.015  .041
H4      .056   -.013   -.134  .035
H5     -.046    .006   -.136  .042
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Hertweck B, Giester G, Libowitzky E
Download am/vol86/AM86_1282.pdf
American Mineralogist 86 (2001) 1282-1292
The crystal structures of the low-temperature phases of leonite-type compounds,
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
Sample: K2Mn(SO4)2.4H2O, T = 293 K
_database_code_amcsd 0002732
12.017 9.594 9.949 90 95.03 90 C2/m
atom      x      y       z occ  Uiso
K    .17022 .26326  .24936     .0281
Mn1       0      0       0     .0154
Mn2       0     .5      .5     .0149
S1   .20695     .5 -.04418     .0150
S2   .21077      0 -.47979     .0150
O1    .1588  .3743  -.1129     .0274
O2A   .1519  .0973  -.4013  .5 .0271
O2B   .1723  .1457  -.4520  .5 .0299
O3    .1728      0   .0594     .0381
O4    .1841     .5   .0965     .0355
O5    .1686     .5   .4354     .0232
O6    .1918  .0236   .3754  .5 .0289
Ow1   .0387  .3351  -.3519     .0222
Ow2       0  .2267       0     .0333
Ow3   .0104      0  -.2194     .0329
H1     .072   .276   -.379      .033
H2     .079   .349   -.274      .037
H3     .043   .272   -.030      .041
H4     .061      0   -.257      .060
H5    -.041      0   -.272      .058
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leonite
Download hom/leonite.pdf
Anspach H
 
Zeitschrift fur Kristallographie 101 (1939) 39-77
Die Struktur des Mn-Leonit
_cod_database_code 1011041
_database_code_amcsd 0017943
11.986 9.57 9.95 90 85 90 C2/m
atom    x   y     z
Mn1     0   0     0
Mn2     0  .5    .5
K1   .306   0  .075
K2    .18   0    .6
S1   .166 .25   .25
O1   .166 .34  .125
O2   .166 .34  .375
O3   .063 .16   .27
O4   .284 .16   .25
O5   .104  .2 -.028
O6   .415  .2  .445
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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Total number of retrieved datasets: 7
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