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