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
;
_database_code_amcsd 0019858
_chemical_compound_source 'Tsumeb mine, Nambia'
_chemical_formula_sum 'Ge Fe (O6 H6)'
_cell_length_a 7.5520
_cell_length_b 7.5520
_cell_length_c 7.4694
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 426.000
_exptl_crystal_density_diffrn      3.594
_symmetry_space_group_name_H-M 'P 42/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,1/2-x,1/2-z'
  '-y,1/2+x,1/2+z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2-y,x,1/2-z'
  '1/2+y,-x,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
Ge   0.50000   0.00000   0.50000   0.00670
Fe   0.50000   0.00000   0.00000   0.00780
O-H1   0.26700   0.05520   0.58250   0.01210
O-H2   0.57080   0.23170   0.56380   0.01190
O-H3   0.56370  -0.07630   0.73290   0.01020
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
Ge 0.00650 0.00690 0.00680 0.00000 -0.00010 -0.00010
Fe 0.00780 0.00740 0.00810 0.00010 -0.00010 0.00020
O-H1 0.00800 0.01300 0.01500 0.00100 -0.00100 0.00100
O-H2 0.01200 0.00800 0.01500 0.00000 -0.00200 -0.00200
O-H3 0.01200 0.01100 0.00800 0.00100 0.00000 -0.00100