Ashcroftine-(Y) Moore P B, Sen Gupta P K, Schlemper E O, Merlino S American Mineralogist 72 (1987) 1176-1189 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a structure with enormous polyanions Sample: investigated by Merlino _database_code_amcsd 0001130 24.039 24.039 17.538 90 90 90 I4/mmm atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Si1 .2417 .1513 .4127 .0175 .0134 .0109 .0036 .0004 -.0016 Si2 .2696 .0637 .2940 .0284 .0099 .0152 -.0045 .0066 -.0020 Si3 .2186 .0631 .1338 .0230 .0119 .0223 -.0003 -.0041 .0007 O1 .2368 .0943 .3634 .0231 .0163 .0223 -.0041 .0060 -.0035 O2 .2247 .0622 .2256 .1313 .0362 .0245 .0228 -.0032 .0018 -.0058 O3 .3016 .1784 .4025 .1105 .0179 .0211 .0258 .0017 .0015 -.0034 O4 .2684 .0961 .0950 .0288 .0217 .0253 .0009 .0014 .0050 O5 .3254 .0952 .2700 .0213 .0194 .0257 -.0025 .0077 -.0035 O6 .1591 .0885 .1153 .0249 .0491 .1210 -.0054 -.0083 .0331 O7 .1905 .1905 .3839 .0135 .0135 .0212 .0053 -.0029 -.0029 O8 .2293 .1320 .5 .0312 .0352 .0155 .0153 -.0048 0 0 O9 .2811 0 .3215 .077 .0439 .0154 .0232 0 .0055 0 O10 .2189 0 .1014 .0883 .0202 .0235 0 -.0120 0 C1 .4027 0 .1574 .0329 .0521 .0262 0 -.0023 0 O11 .4271 .0468 .1698 .0414 .0293 .0630 -.0004 .0011 .0005 O12 .3518 0 .1320 .0235 .1202 .0590 0 -.0054 0 C2 .3709 .0919 .5 .0273 .0233 .0273 .0034 0 0 O13 .3590 .0686 .4361 .0468 .0245 .0180 .0035 .0029 -.0004 O14 .3944 .1398 .5 .0303 .0184 .0236 -.0044 0 0 OH1 .2475 .2475 .5 .0147 .0147 .0267 .0075 0 0 OW1 .1285 .1285 .2784 .0386 .0386 .0157 .0263 -.0228 -.0228 OW2 .5 0 0 .0304 .0610 .0189 0 0 0 Y1 .3559 .1145 .1465 .89 .0129 .0194 .0125 .0031 -.0009 .0029 Ca1 .3559 .1145 .1465 .11 .0129 .0194 .0125 .0031 -.0009 .0029 Y2 .2677 .1616 0 .79 .0151 .0127 .0110 .0005 0 0 Ca2 .2677 .1616 0 .21 .0151 .0127 .0110 .0005 0 0 K1 .2696 0 .5 .0573 .0364 .0490 0 0 0 K2 .3055 0 0 .0505 .0605 .0376 0 0 0 Na1 .5 0 .25 .0206 .0206 .0593 0 0 0 SiT1D .1344 .1344 .0675 .20 .0223 BT1D .1344 .1344 .0675 .52 .0223 SiT2D .0986 .0986 .0901 .28 .0258 K1D .2146 .2146 .2089 .25 .0930 .0930 .0897 -.0279 -.0116 -.0116 Na1D .4210 0 .3946 .5 .0404 .0527 .0905 0 .0191 0 Na2D .3902 0 .3611 .5 .0571 .0148 .1366 0 -.0629 0 Na3D 0 0 .0322 .4 .0266 OH1D .1835 .1835 .0746 .61 OH2D .0545 .0545 .1238 .28 OH3D .1426 .1124 0 .31 .079 O4D .0948 .0948 0 .63 .0623 OH5D .1099 0 0 .66 OH6D .1776 .1776 0 .49