(C2N2H10)2Sc4(HPO4)8
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012218
9.4111 9.1066 9.6950 90 117.272 90 P2/n
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc1     -.25  .39364     .25 .00416  .0049  .0037  .0036       0 .00165       0
Sc2      .25  .11746     .25 .00395  .0052  .0033  .0034       0 .00192       0
P1   -.16828  .10162  .06395 .00476  .0054  .0045  .0043  .00008 .00219 -.00100
P2    .35592  .34309  .02725 .00506  .0052  .0050  .0045 -.00018 .00182  .00054
O1   -.26632  .22278  .09113  .0084  .0086  .0082  .0081   .0014  .0036  -.0029
O2   -.25286  .05986 -.10818  .0072  .0093  .0070  .0042   .0003  .0022  -.0022
O3   -.15941 -.03650  .16485  .0099  .0134  .0083  .0088  -.0018  .0056   .0016
O4    .00394  .14504  .11785  .0088  .0059  .0104  .0100  -.0010  .0034  -.0014
O5    .25602  .26612  .09126  .0082  .0093  .0083  .0081  -.0008  .0049   .0036
O6    .41231  .22249 -.05687  .0122  .0082  .0135  .0141   .0001  .0045  -.0064
O7    .50552  .41304  .15275  .0079  .0065  .0087  .0073  -.0010  .0021  -.0017
O8    .24952  .44982 -.09639  .0097  .0081  .0104  .0091   .0007  .0026   .0051
N     -.0569   .2954  -.1931  .0113  .0087  .0118  .0129  -.0019  .0046  -.0012
C     -.1681   .4070  -.1797  .0114  .0143  .0086  .0115  -.0010  .0060  -.0017
H1A    .0158   .2661  -.0966   .017
H1B   -.0050   .3363  -.2430   .017
H1C   -.1143   .2164  -.2478   .017
H1D   -.1201   .5059  -.1674   .014
H1E   -.1804   .3858  -.0856   .014
H3A   -.2509  -.0737   .1320   .012
H6A    .5111   .2086  -.0049   .015