American Mineralogist Crystal Structure Database

1 matching records for this search.

Hungchaoite
Download hom/hungchaoite.pdf
Wan C, Ghose S
Download am/vol62/AM62_1135.pdf
American Mineralogist 62 (1977) 1135-1143
Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex
_database_code_amcsd 0000603
8.807 10.657 7.897 103.39 108.53 97.18 P-1
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .82907 .22643 .13238       .0165  .0193  .0181  .0028  .0035  .0067
B1    .1812  .3017  .4835       .0133  .0151  .0151  .0019  .0035  .0060
B2    .2242  .0830  .5269       .0200  .0172  .0179  .0053  .0053  .0061
B3    .2786  .2761  .7926       .0152  .0161  .0137  .0027  .0048  .0048
B4    .4629  .4094  .6887       .0138  .0171  .0153  .0021  .0053  .0043
O1    .1915  .1614  .4106       .0207  .0159  .0144  .0045  .0050  .0060
O2    .2731  .1322  .7163       .0236  .0148  .0149  .0042  .0049  .0055
O3    .4437  .3536  .8219       .0127  .0231  .0149  .0001  .0025  .0067
O4    .3412  .3893  .5202       .0138  .0218  .0145  .0016  .0027  .0077
O5    .1545  .3188  .6596       .0124  .0180  .0152  .0043  .0052  .0064
Oh1   .0509  .3305  .3391       .0151  .0162  .0186  .0014  .0000  .0080
Oh2   .2054  .9517  .4428       .0595  .0163  .0194  .0091  .0082  .0055
Oh3   .2539  .2893  .9977       .0225  .0203  .0136  .0005  .0079  .0040
Oh4   .6132  .4891  .7326       .0163  .0279  .0158  .0056  .0037  .0080
OW1   .6108  .1148  .9272       .0183  .0251  .0304  .0054  .0019  .0025
OW2   .8876  .0453  .1425       .0198  .0211  .0311  .0028  .0040  .0104
OW3   .7246  .2192  .3387       .0204  .0269  .0236  .0029  .0072  .0066
OW4   .7415  .3950  .1071       .0274  .0221  .0311  .0093  .0044  .0052
OW5   .9268  .2267  .9257       .0237  .0336  .0199  .0012  .0090  .0035
OW6   .3975  .1503  .2039       .0226  .0298  .0260  .0080  .0112  .0093
OW7   .8919  .4104  .6640       .0252  .0255  .0359  .0105  .0143  .0110
H1     .077   .413   .346 .053
H2     .227   .907   .510 .063
H3     .293   .366   .049 .055
H4     .619   .520   .651 .040
H5     .518   .127   .866 .049
H6     .609   .028   .877 .065
H7     .838   .987   .178 .064
H8     .994   .059   .208 .057
H9     .617   .211   .300 .058
H10    .762   .291   .432 .062
H11    .776   .475   .180 .065
H12    .649   .390   .023 .036
H13    .030    .25   .947 .058
H14    .883   .169   .823 .059
H15    .340   .156   .268 .050
H16    .357   .192   .133 .064
H17    .975   .379   .665 .060
H18    .858   .403   .755 .050
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