Newberyite
Sutor D J
Acta Crystallographica 23 (1967) 418-422
The crystal and molecular structure of newberyite, MgHPO4*3H2O
Locality: Skipton Caves, Victoria, Australia
_database_code_amcsd 0009313
10.215 10.681 10.014 90 90 90 Pbca
atom x y z Biso
Mg .29683 .24666 .08644 0.72
P -.00897 .13254 .15364 0.67
O3 -.08849 .20017 .25682 1.52
O4 -.05097 .16132 .00892 1.30
O5 .14006 .15337 .16736 1.11
OH6 -.03371 -.01235 .17864 1.28
Wat7 .16684 .31363 -.06051 1.69
Wat8 .24894 .41417 .18918 1.61
Wat9 .35504 .09193 -.03328 2.16
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Newberyite
Abbona F, Boistelle R, Haser R
Acta Crystallographica B35 (1979) 2514-2518
Hydrogen bonding in MgHPO4*3H2O (newberyite)
_database_code_amcsd 0009693
10.203 10.678 10.015 90 90 90 Pbca
atom x y z
Mg .29694 .24663 .08620
P -.00899 .13287 .15372
O3 -.0884 .1996 .2578
O4 -.0514 .1617 .0098
O5 .1392 .1535 .1681
O6 -.0341 -.0128 .1783
O7 .1671 .3129 -.0614
O8 .2500 .4125 .1894
O9 .3539 .0924 -.0319
H1 .174 .310 -.161
H2 .080 .290 -.053
H3 .278 .485 .167
H4 .175 .429 .232
H5 .313 .088 -.097
H6 .351 -.004 -.004
H7 -.016 -.062 .098
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Newberyite
Bartl H, Catti M, Joswig W, Ferraris G
 
Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1983) 187-194
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single
crystal neutron diffraction
Locality: synthetic
_database_code_amcsd 0015697
10.203 10.678 10.015 90 90 90 Pbca
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P -.0091 .1328 .1536 .0061 .0097 .0089 .0001 .0006 .0001
Mg .2972 .2468 .0862 .0059 .0101 .0083 -.0004 -.0002 .0016
O1 -.0881 .1995 .2575 .0142 .0184 .0135 .0026 .0044 -.0046
O2 -.0517 .1615 .0100 .0108 .0168 .0094 .0038 -.0011 -.0008
O3 .1386 .1533 .1678 .0067 .0172 .0117 -.0028 -.0014 .0026
O4 -.0337 -.0129 .1781 .0153 .0105 .0177 -.0016 .0057 .0000
Ow1 .1670 .3131 -.0616 .0130 .0310 .0142 -.0036 -.0033 .0061
Ow2 .2495 .4131 .1895 .0160 .0128 .0237 .0002 .0067 -.0025
Ow3 .3540 .0926 -.0327 .0350 .0151 .0195 -.0003 .0043 -.0040
H1 .1779 .3193 -.1573 .0407 .0371 .0215 -.0018 .0010 .0024
H2 .0799 .2788 -.0497 .0199 .0578 .0404 -.0097 -.0033 .0079
H3 .2913 .4935 .1766 .0293 .0234 .0343 -.0052 .0038 -.0002
H4 .1663 .4306 .2310 .0227 .0290 .0362 .0027 .0085 -.0020
H5 .3522 .1069 -.1252 .0769 .0425 .0290 .0042 .0052 -.0038
H6 .3461 .0042 -.0203 .0645 .0248 .0487 -.0010 .0031 .0021
H7 -.0026 -.0700 .1052 .0262 .0190 .0289 -.0010 .0045 -.0011
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