|
Inderborite |
 |
Burns P C, Hawthorne F C |
 |
The Canadian Mineralogist 32 (1994) 533-539 |
|
Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet |
|
structure |
|
_database_code_amcsd 0005383 |
|
12.137 7.433 19.234 90 90.29 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg 0 0 0 .0149 .0136 .0104 -.0005 -.0003 .0015 |
|
Ca 0 .21603 .25 .0096 .0095 .0110 0 .0002 0 |
|
B1 .0996 .9579 .14969 .0111 .0103 .0100 -.0003 .0006 .0006 |
|
B2 .4049 .3513 .14216 .0082 .0093 .0116 .0003 .0002 .0010 |
|
B3 .0553 .6367 .1659 .0125 .0112 .0133 .0006 .0002 .0007 |
|
O1 -.01566 -.0147 .16342 .0088 .0101 .0146 .0003 .0004 -.0018 |
|
Oh2 .1222 .0084 .07619 .0151 .0259 .0110 -.0010 .0017 .0032 |
|
Oh3 .1610 .0704 .19957 .0127 .0111 .0142 -.0040 0 -.0013 |
|
O4 .1330 .7674 .16103 .0101 .0088 .0260 .0014 .0003 .0009 |
|
O5 -.0545 .6667 .15821 .0105 .0094 .0265 .0004 -.0014 .0031 |
|
Oh6 .0862 .4595 .17832 .0119 .0096 .0303 .0015 -.0004 .0044 |
|
Oh7 .29878 .3776 .17594 .0089 .0195 .0148 .0002 .0012 -.0034 |
|
Oh8 .3881 .3633 .06469 .0180 .0174 .0102 -.0036 -.0010 -.0007 |
|
OW9 .4423 .7471 .03743 .0475 .0228 .0194 .0137 .0063 .0018 |
|
OW10 .3604 .8276 .16832 .0136 .0136 .0250 .0017 -.0025 .0014 |
|
OW11 .1642 .4507 .02170 .0303 .0305 .0313 .0031 -.0045 .0027 |
|
H1 .196 -.020 .064 .0508 |
|
H2 .213 .158 .184 .0508 |
|
H3 .1638 .444 .175 .0508 |
|
H4 .307 .420 .2224 .0508 |
|
H5 .367 .250 .045 .0508 |
|
H6 .411 .748 .0827 .0508 |
|
H7 .406 .849 .018 .0508 |
|
H8 .2832 .806 .172 .0508 |
|
H9 .369 .955 .168 .0508 |
|
H10 .119 .399 .056 .0508 |
|
H11 .231 .485 .045 .0508 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
