data_global
_amcsd_formula_title 'Hg2(H2PO4)2'
loop_
_publ_author_name
'Nilsson B A'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 141 
_journal_year 1975
_journal_page_first 321
_journal_page_last 329
_publ_section_title
;
 The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
;
_database_code_amcsd 0010778
_chemical_formula_sum 'Hg P O4'
_cell_length_a 6.0754
_cell_length_b 14.5034
_cell_length_c 4.7280
_cell_angle_alpha 90
_cell_angle_beta 92.172
_cell_angle_gamma 90
_cell_volume 416.303
_exptl_crystal_density_diffrn      4.716
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg   0.30421   0.01696   0.05308
P   0.98860   0.15230   0.40500
O1   0.00100   0.06770   0.21000
O2   0.18800   0.14420   0.62400
O3   0.77100   0.13790   0.56700
O4   0.99200   0.24500   0.26300
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Hg 0.01419 0.03517 0.02386 0.00268 0.00480 0.00139
P 0.01307 0.02131 0.01040 0.00045 0.00247 0.00000
O1 0.00112 0.05541 0.00170 -0.00624 0.00044 -0.01597
O2 0.00355 0.03517 0.00271 0.00401 -0.00174 -0.00903
O3 0.00224 0.03090 0.00407 -0.00268 0.00189 -0.00104
O4 0.00187 0.02877 0.00351 -0.00089 0.00029 0.00764