data_global
_chemical_name_mineral 'Heterosite'
loop_
_publ_author_name
'Eventoff W'
'Martin R'
'Peacor D R'
_journal_name_full 'American Mineralogist'
_journal_volume 57 
_journal_year 1972
_journal_page_first 45
_journal_page_last 51
_publ_section_title
;
 The crystal structure of heterosite
;
_database_code_amcsd 0000269
_chemical_compound_source 'Fletcher Quarry, North Groton, New Hampshire, USA'
_chemical_formula_sum '(Fe.65 Mn.35) P O4'
_cell_length_a 5.83
_cell_length_b 9.79
_cell_length_c 4.769
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 272.194
_exptl_crystal_density_diffrn      3.673
_symmetry_space_group_name_H-M 'P m n b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,1/2+y,1/2-z'
  '-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
_atom_site_occupancy
Fe   0.25000   0.27700   0.94490   0.65000
Mn   0.25000   0.27700   0.94490   0.35000
P   0.25000   0.09350   0.39830   1.00000
O1   0.25000   0.11760   0.71310   1.00000
O2   0.25000   0.44170   0.16140   1.00000
O3   0.04610   0.16840   0.25130   1.00000
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
Fe 0.00603 0.00388 0.00542 0.00000 0.00000 -0.00166
Mn 0.00603 0.00388 0.00542 0.00000 0.00000 -0.00166
P 0.00654 0.00437 0.00230 0.00000 0.00000 0.00024
O1 0.01240 0.00971 0.00830 0.00000 0.00000 0.00355
O2 0.01171 0.01262 0.00530 0.00000 0.00000 0.00426
O3 0.00844 0.00923 0.00461 0.00289 -0.00056 -0.00071