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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541993.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1541993
loop_
_publ_author_name
'Guse, W.'
'Klaska, K.H.'
'Saalfeld, H.'
'Adiwidjaja, G.'
_publ_section_title
;
 The crystal structure of iron(II)dihydrogen phosphate dihydrate Fe (H2 P
 O4)2 (H2 O)2
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              433
_journal_page_last               438
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum            'Fe H8 O10 P2'
_chemical_name_systematic        'Fe (H2 P O4)2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.297
_cell_length_b                   9.925
_cell_length_c                   5.337
_cell_volume                     384.972
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Guse_NJMMAW_1985_1977.cif
_cod_data_source_block           H8Fe1O10P2
_cod_original_cell_volume        384.9718
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H8 Fe1 O10 P2'
_cod_database_code               1541993
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O5 O-2 0.8923 0.3376 0.0225 1 0.0
O3 O-2 0.2969 0.4642 0.7646 1 0.0
O2 O-2 0.8671 0.1349 0.7421 1 0.0
O1 O-2 0.6482 0.3305 0.6688 1 0.0
H3 H+1 0.0058 0.0375 0.0619 1 0.0
P1 P+5 0.8405 0.2852 0.7504 1 0.0
O4 O-2 0.9689 0.3561 0.5741 1 0.0
H1 H+1 0.0333 0.0429 0.0892 1 0.0
H2 H+1 0.0245 0.0531 0.0801 1 0.0
Fe1 Fe+2 0.5 0.5 0.5 1 0.0
H4 H+1 0.0974 0.0293 0.0102 1 0.0
