|
Ruizite |
|
Fendrich K V, Downs R T, Origlieri M J |
|
Acta Crystallographica E72 (2016) 959-963 |
|
Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O |
|
Locality: Wessels mine, Northern Cape Province, South Africa |
|
_database_code_amcsd 0020603 |
|
9.0360 6.1683 11.9601 90 91.433 90 C2 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .29482 .9839 .73974 .95 .01019 .0129 .0101 .0076 -.0017 .0017 -.0006 |
|
Sr .29482 .9839 .73974 .03 .01019 .0129 .0101 .0076 -.0017 .0017 -.0006 |
|
Mg .29482 .9839 .73974 .02 .01019 .0129 .0101 .0076 -.0017 .0017 -.0006 |
|
Mn .74915 .7373 .99906 .94 .00679 .0074 .0068 .0062 .00026 .00176 .00027 |
|
Fe .74915 .7373 .99906 .035 .00679 .0074 .0068 .0062 .00026 .00176 .00027 |
|
Al .74915 .7373 .99906 .025 .00679 .0074 .0068 .0062 .00026 .00176 .00027 |
|
Si1 .96440 .9873 .84877 .00607 .0063 .0071 .0049 -.0002 .0009 .0002 |
|
Si2 .89549 .0016 .60450 .0084 .0101 .0100 .0051 -.0020 .0008 -.0003 |
|
O1 .1260 .9855 .9082 .0088 .0071 .0098 .0094 .001 -.0006 -.002 |
|
O2 .0076 .9891 .71434 .0094 .0094 .0142 .0045 -.001 .0012 .000 |
|
O3 .8652 .7699 .8692 .0096 .007 .010 .012 -.0012 .0025 -.0024 |
|
O4 .1302 .2031 .1276 .0070 .009 .007 .005 -.0014 .0018 .0005 |
|
O5 0 .0402 .5 .0169 .019 .025 .007 0 .0043 0 |
|
O6 .7769 .1913 .6146 .0121 .0127 .0138 .0096 .0018 -.0006 -.0011 |
|
O7 .8183 .7611 .5947 .0152 .021 .0131 .0112 -.0035 -.0054 .0001 |
|
O8 .6317 .9886 .9535 .0096 .0113 .0087 .0088 .001 -.0006 -.003 |
|
O9 .5570 .9743 .7213 .0201 .0172 .0221 .0213 -.006 .0042 .001 |
|
H1 .792 .760 .536 .040 |
|
H2 .617 .029 .905 .040 |
|
H3 .594 .041 .679 .040 |
|
H4 .586 .967 .778 .040 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: