data_global
_chemical_name_mineral 'Metavivianite'
loop_
_publ_author_name
'Chukanov N V'
'Scholz R'
'Aksenov S M'
'Rastsvetaeva R K'
'Pekov I V'
'Belakovskiy D I'
'Krambrock K'
'Paniago R M'
'Righi A'
'Martins R F'
'Belotti F M'
'Bermanec V'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 725
_journal_page_last 741
_publ_section_title
;
 Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
;
_database_code_amcsd 0018993
_chemical_compound_source 'Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil'
_chemical_formula_sum 'Fe3 P2 O16 H14'
_cell_length_a 7.989
_cell_length_b 9.321
_cell_length_c 4.629
_cell_angle_alpha 97.34
_cell_angle_beta 95.96
_cell_angle_gamma 108.59
_cell_volume 320.184
_exptl_crystal_density_diffrn      2.591
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.50000   0.50000   0.00000   1.00000   0.01120
Fe2   0.13050  -0.08450  -0.50200   1.00000   0.01170
P   0.18880   0.17680   0.05790   1.00000   0.00980
O1   0.04500   0.21900  -0.12900   1.00000   0.01300
O2   0.25700   0.06400  -0.12900   1.00000   0.01300
O3   0.34300   0.32400   0.18900   1.00000   0.01500
O4   0.10500   0.10100   0.31200   1.00000   0.01300
O-H1   0.35100  -0.08000  -0.67800   0.50000   0.02400
Wat1   0.35100  -0.08000  -0.67800   0.50000   0.02400
Wat2   0.25900   0.47700   0.69700   1.00000   0.02000
O-H3   0.13700  -0.27500  -0.31000   0.50000   0.02800
Wat3   0.13700  -0.27500  -0.31000   0.50000   0.02800
Wat4   0.56000   0.34200   0.69600   1.00000   0.02000