data_global
_chemical_name_mineral 'Stottite'
loop_
_publ_author_name
'Kleppe A K'
'Welch M D'
'Crichton W A'
'Jephcoat A P'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 949
_journal_page_last 962
_publ_section_title
;
 Phase transitions in hydroxide perovskites: a Raman spectroscopic study
 of stottite, FeGe(OH)6, to 21 GPa
 Note: this is the preferred structure
;
_database_code_amcsd 0019859
_chemical_compound_source 'Tsumeb mine, Nambia'
_chemical_formula_sum 'Ge Fe (O6 H6)'
_cell_length_a 7.5509
_cell_length_b 7.4695
_cell_length_c 7.5531
_cell_angle_alpha 90
_cell_angle_beta 90.005
_cell_angle_gamma 90
_cell_volume 426.006
_exptl_crystal_density_diffrn      3.594
_symmetry_space_group_name_H-M 'P 1 2/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Ge1   0.00000   0.50000   0.00000   0.00680
Ge2   0.50000   0.00000   0.00000   0.00660
Fe1   0.00000   0.00000   0.00000   0.00780
Fe2   0.50000   0.50000   0.00000   0.00780
O-H1   0.26750   0.58260   0.55480   0.01220
O-H2   0.55530   0.08260   0.23300   0.01260
O-H3  -0.42900   0.56390   0.73160   0.01200
O-H4  -0.26890   0.06400   0.92900   0.01200
O-H5  -0.56390   0.26720   0.57620   0.01000
O-H6   0.57650   0.76720   0.06340   0.01000
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
Ge1 0.00640 0.00700 0.00690 0.00020 0.00020 0.00020
Ge2 0.00650 0.00680 0.00640 -0.00010 0.00040 0.00020
Fe1 0.00760 0.00790 0.00800 0.00000 0.00010 -0.00030
Fe2 0.00750 0.00770 0.00810 0.00020 0.00000 0.00030
O-H1 0.00900 0.01400 0.01400 -0.00100 0.00100 0.00100
O-H2 0.01400 0.01400 0.00900 -0.00200 -0.00100 0.00100
O-H3 0.01200 0.01500 0.00900 -0.00200 0.00000 -0.00200
O-H4 0.00900 0.01400 0.01300 -0.00300 0.00000 0.00200
O-H5 0.01210 0.00700 0.01100 0.00000 0.00000 0.00100
O-H6 0.00800 0.01200 0.00800 0.00100 0.00100 0.01100