American Mineralogist Crystal Structure Database

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Hydroxylwagnerite
 
Raade G, Romming C
Download zk/vol177/ZK177_15.pdf
Zeitschrift fur Kristallographie 177 (1986) 15-26
The crystal structure of beta-Mg2PO4OH,
a synthetic hydroxyl analogue of wagnerite
Locality: synthetic
_database_code_amcsd 0010961
9.656 12.859 12.069 90  108.49 90 P2_1/c
atom     x     y     z Biso
Mg1  .5511 .0723 .9154  .42
Mg2  .4710 .0696 .6007  .50
Mg3  .0429 .1805 .9220  .48
Mg4  .9710 .1772 .6096  .51
Mg5  .1893 .0223 .1871  .51
Mg6  .7855 .0012 .3037  .56
Mg7  .3057 .2297 .3183  .46
Mg8  .7095 .2503 .1949  .54
P1   .1137 .0773 .4248  .26
P2   .8791 .0702 .0751  .32
P3   .3821 .1750 .0747  .29
P4   .6218 .1798 .4226  .28
O11  .1664 .1160 .3223  .77
O12  .2447 .0476 .5295  .78
O13  .9868 .0162 .6200  .70
O14  .0283 .1642 .4585  .46
O21  .7952 .0924 .1615  .72
O22  .7684 .0533 .9520  .70
O23  .0238 .0270 .8854  .51
O24  .9845 .1593 .0683  .48
O31  .3198 .1425 .1719  .28
O32  .2592 .2049 .9625  .42
O33  .4838 .2320 .6182  .59
O34  .4677 .0840 .0459  .67
O41  .6893 .1532 .3273  .25
O42  .7429 .2042 .5363  .36
O43  .5188 .2257 .8804  .66
O44  .5205 .0912 .4394  .71
Oh1  .4344 .0330 .7542  .60
Oh2  .6888 .0812 .7005  .70
Oh3  .1902 .1632 .7092  .67
Oh4  .9280 .2191 .7592  .53
H1    .453 -.027  .751  1.0
H2    .708  .078  .632  1.0
H3    .223  .167  .660  1.0
H4    .964  .286  .775  1.0
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