|
(C2N2H10)8Sc8(ScO2)4(PO4)4(HPO4)12*12H2O |
| |
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 0012217 |
|
8.603 15.476 16.504 90 96.877 90 P2_1/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 .63355 .79805 .16364 .01278 .0122 .0157 .0107 .0006 .0023 -.0010 |
|
Sc2 .49585 .89323 .52210 .01201 .0133 .0117 .0112 .0004 .0020 .0004 |
|
Sc3 .02152 .76914 .29943 .01356 .0120 .0177 .0111 -.0003 .0022 -.0005 |
|
P1 .22760 .76200 .13355 .0147 .0120 .0189 .0135 -.0028 .0023 -.0019 |
|
P2 .26411 .71634 .47600 .0133 .0116 .0167 .0116 -.0005 .0018 -.0007 |
|
P3 .81649 .60698 .19758 .0140 .0152 .0139 .0133 -.0004 .0034 .0003 |
|
P4 .66826 .79002 .37165 .0151 .0140 .0200 .0119 .0010 .0039 -.0012 |
|
O1 .3708 .99391 .45826 .0052 .0038 .0041 .0070 -.0010 -.0019 .0006 |
|
O2 .6035 .86154 .42101 .0209 .0259 .0214 .0168 .0034 .0077 -.0030 |
|
O3 .3147 .81082 .48960 .0194 .0201 .0172 .0206 -.0058 .0010 .0001 |
|
O4 .5880 .79072 .28426 .0225 .0172 .0366 .0140 .0018 .0035 -.0017 |
|
O5 .6605 .81028 .04101 .0194 .0204 .0228 .0162 .0049 .0069 .0019 |
|
O6 .4075 .92627 .63045 .0209 .0243 .0219 .0176 -.0038 .0073 -.0008 |
|
O7 .6546 .81416 .58558 .0243 .0278 .0209 .0226 .0067 -.0032 .0045 |
|
O8 .8462 .79337 .37542 .0215 .0152 .0342 .0157 -.0015 .0039 -.0033 |
|
O9 .1036 .88146 .33821 .0136 .0123 .0100 .0192 -.0052 .0048 -.0023 |
|
O10 .8665 .81877 .20413 .0097 .0038 .0171 .0079 -.0014 -.0003 .0043 |
|
O11 .5942 .92567 .17168 .0134 .0168 .0078 .0151 .0035 -.0001 -.0036 |
|
O12 .9246 .64688 .26745 .0212 .0226 .0200 .0198 -.0012 -.0025 -.0035 |
|
O13 .1684 .70545 .39177 .0196 .0236 .0202 .0141 -.0004 -.0015 .0000 |
|
O14 .4025 .7650 .12961 .0244 .0130 .0404 .0201 -.0042 .0034 -.0039 |
|
O15 .4091 .65773 .48163 .0224 .0150 .0260 .0267 .0043 .0040 .0021 |
|
O16 .6354 .69990 .40934 .0233 .0198 .0243 .0274 .0002 .0095 .0034 |
|
O17 .6832 .66644 .16491 .0204 .0210 .0167 .0233 .0024 .0015 .0000 |
|
O18 .1930 .7606 .22181 .0254 .0177 .0430 .0166 -.0008 .0073 -.0024 |
|
O19 .1600 .84756 .0925 .0314 .0357 .0219 .0334 -.0006 -.0083 .0025 |
|
O20 .7298 .52811 .23276 .0249 .0222 .0254 .0273 -.0038 .0042 .0082 |
|
O21 .5782 .4906 .3939 .0805 .054 .068 .114 -.007 -.012 .030 |
|
N1 .3647 .9423 .2903 .0217 .0202 .0227 .0227 .0027 .0043 -.0030 |
|
N2 .4073 .6187 .2922 .0373 .037 .030 .042 -.0044 -.0080 -.0082 |
|
N3 .9038 .5948 .4442 .0380 .021 .039 .054 .0030 .0051 .021 |
|
N4 .0050 .8790 .5096 .0288 .036 .0222 .0270 .0032 -.0008 -.0010 |
|
C1 .4204 .9803 -.0006 .0257 .024 .025 .028 .0008 .0062 -.0014 |
|
C2 .2841 .0002 .2278 .0264 .025 .031 .023 -.0005 .0038 .0022 |
|
C3 .1683 .0552 .2670 .0314 .040 .025 .029 .0115 .0033 .0014 |
|
C4 .0092 .0292 .4644 .0251 .033 .024 .020 .007 .007 .002 |
|
C5 .040 .0300 .5231 .043 .054 .032 .041 .013 -.007 .004 |
|
H1A .4241 .9735 .3273 .06 |
|
H1B .4247 .9053 .2668 .07 |
|
H1C .294 .9131 .3146 .022 |
|
H2A .3341 .6492 .3132 .11 |
|
H2B .4674 .654 .2669 .07 |
|
H2C .466 .591 .3321 .17 |
|
H3A .8074 .6162 .4424 .046 |
|
H3B .9211 .5785 .3943 .08 |
|
H3C .973 .6352 .4624 .057 |
|
H5A .4046 .9623 .0541 .027 |
|
H5B .3411 .023 -.0186 .047 |
|
H6A .2297 .9664 .1837 .021 |
|
H6B .3598 .0368 .2054 .048 |
|
H7A .089 .0184 .2861 .043 |
|
H7B .2221 .0854 .3136 .062 |
|
H16 .5453 .6987 .4209 .08 |
|
H19 .0755 .8375 .0656 .046 |
|
H20 .7945 .4956 .2573 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
