data_global
_chemical_name_mineral 'Flinkite'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 57 
_journal_year 2001
_journal_page_first i115
_journal_page_last i118
_publ_section_title
;
 Redetermination of the mixed-valence manganese arsenate flinkite,
 MnII2MnIII(OH)4(AsO4)
;
_database_code_amcsd 0010370
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn3 As O8 H4'
_cell_length_a 9.483
_cell_length_b 13.030
_cell_length_c 5.3390
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 659.705
_exptl_crystal_density_diffrn      3.743
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_U_iso_or_equiv
Mn1   0.00000   0.00000   0.00000   0.00784
Mn2   0.02051   0.13025   0.48313   0.01049
As   0.15431   0.75000   0.02622   0.00615
O2  -0.09358   0.14410   0.82790   0.01150
O4   0.10320   0.75000   0.72260   0.01210
O5   0.16770   0.25000   0.55480   0.01060
O-h1   0.14134   0.08274   0.15800   0.01060
O-h3  -0.09925   0.00406   0.31080   0.00920
H1   0.16000   0.12800   0.04500   0.03000
H3  -0.18500   0.02100   0.30200   0.03000
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
Mn1 0.00760 0.00950 0.00650 -0.00051 0.00026 -0.00132
Mn2 0.01290 0.00879 0.00977 -0.00048 0.00050 -0.00059
As 0.00659 0.00550 0.00636 0.00000 0.00033 0.00000
O2 0.01510 0.00910 0.01040 0.00350 0.00250 -0.00130
O4 0.01700 0.01100 0.00840 0.00000 -0.00270 0.00000
O5 0.00620 0.00900 0.01660 0.00000 0.00090 0.00000
O-h1 0.00990 0.01110 0.01080 -0.00150 0.00030 -0.00090
O-h3 0.00770 0.01090 0.00890 0.00140 0.00090 -0.00060