|
Andyrobertsite |
| |
Cooper M A, Hawthorne F C |
 |
The Canadian Mineralogist 38 (2000) 817-830 |
|
Highly undersaturated anions in the crystal structure of andyrobertsite - |
|
calcio-andyrobertsite, a doubly acid arsenate of the form |
|
K(Cd,Ca)[Cu5(AsO4)4{As(OH)2O2}](H2O)2 |
|
9.8102 10.0424 9.9788 90 101.686 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .18027 .04168 .07665 .0068 .0080 .0063 .0064 -.0010 .0020 -.0010 |
|
As2 .18285 .04072 .48913 .0077 .0100 .0068 .0068 -.0009 .0032 .0005 |
|
As3 .63179 1/4 .19752 .0166 .0069 .0244 .0192 0 .0039 0 |
|
Cu1 .92130 .02668 .23738 .0097 .0114 .0118 .0065 -.0029 .0032 -.0007 |
|
Cu2 .92830 1/4 .47111 .0102 .0127 .0054 .0144 0 .0071 0 |
|
Cu3 .92803 1/4 .01065 .0099 .0113 .0060 .0111 0 -.0007 0 |
|
Cu4 .33062 1/4 .31118 .0087 .0124 .0067 .0075 0 .0033 0 |
|
Ca .71729 1/4 .69496 .428 .0114 .0102 .0111 .0134 0 .0039 0 |
|
Cd .71729 1/4 .69496 .426 .0114 .0102 .0111 .0134 0 .0039 0 |
|
Mn .71729 1/4 .69496 .146 .0114 .0102 .0111 .0134 0 .0039 0 |
|
K .3562 1/4 .8281 .0230 .0225 .0252 .0237 0 .0106 0 |
|
O1 .1756 .0779 .9134 .0152 .0217 .0156 .0093 -.0101 .0055 -.0020 |
|
O2 .8212 .1228 .8847 .0128 .0174 .0058 .0135 .0001 -.0013 .0020 |
|
O3 .3242 .1082 .1724 .0126 .0096 .0138 .0136 -.0010 .0005 -.0069 |
|
O4 .0358 .1107 .1204 .0103 .0098 .0113 .0109 .0027 .0044 .0022 |
|
O5 .8297 .1207 .5618 .0118 .0153 .0062 .0157 -.0013 .0078 -.0017 |
|
O6 .0342 .1120 .4008 .0104 .0114 .0107 .0092 .0019 .0023 -.0011 |
|
O7 .3232 .1101 .4471 .0134 .0126 .0141 .0140 -.0019 .0035 .0043 |
|
O8 .1934 .0630 .6562 .0165 .0205 .0230 .0068 -.0100 .0047 -.0006 |
|
O9 .8050 1/4 .2178 .0206 .0073 .0240 .0300 0 .0025 0 |
|
O10 .5653 1/4 .3363 .0234 .0129 .0382 .0191 0 .0035 0 |
|
Oh .5733 .1154 .0936 .0423 .0252 .0627 .0438 -.0252 .0182 -.0277 |
|
OW .5326 .1078 .6744 .0202 .0161 .0158 .0275 .0015 .0018 -.0003 |
|
H1 .465 .111 .587 .0200 |
|
H2 .594 .034 .662 .0200 |
|
H3 .479 .097 .106 .0200 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
