data_global
_chemical_name_mineral 'Serrabrancaite'
loop_
_publ_author_name
'Lightfoot P'
'Cheetham A K'
'Sleight A W'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 26 
_journal_year 1987
_journal_page_first 3544
_journal_page_last 3547
_publ_section_title
;
 Structure of MnPO4*H2O by synchrotron X-ray powder diffraction
;
_database_code_amcsd 0012696
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn P O5 H2'
_cell_length_a 6.912
_cell_length_b 7.470
_cell_length_c 7.357
_cell_angle_alpha 90
_cell_angle_beta 112.3
_cell_angle_gamma 90
_cell_volume 351.451
_exptl_crystal_density_diffrn      3.174
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.25000   0.25000   0.00000 ?
P   0.00000   0.41760   0.25000 ?
O1   0.45880   0.20140  -0.09950   0.00532
O2   0.30720  -0.03590  -0.34730   0.00431
O3   0.00000  -0.09950   0.25000   0.00621
H   0.07500  -0.01400   0.19700   0.01267
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
Mn 0.00924 0.00823 0.00340 0.00227 0.00251 0.00100
P 0.01380 0.00608 0.00948 0.00000 0.00633 0.00000