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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/1/53/09/1530948.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_1530948
loop_
_publ_author_name
'Vencato, I.'
'Mattievich, E.'
'Primerano Mascarenhas, Y.'
_publ_section_title
;
 Crystal Structure of synthetic lipscombite: A redetermination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              456
_journal_page_last               460
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe2.95 H2 O10 P2'
_chemical_name_systematic        'Fe2.95 (P O4)2 (O H)2'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.31
_cell_length_b                   7.31
_cell_length_c                   13.212
_cell_volume                     705.998
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Vencato_AMMIAY_1989_1804.cif
_cod_data_source_block           H2Fe2.95O10P2
_cod_original_cell_volume        705.9977
_cod_original_formula_sum        'H2 Fe2.95 O10 P2'
_cod_database_code               1530948
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-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
O2 O-2 0.134 0.129 0.184 1 0.0
O4 O-2 0.372 -0.113 0.193 1 0.0
O3 O-2 0.138 -0.132 0.062 1 0.0
Fe2 Fe+2 0.138 0.138 0.5 0.164 0.0
O1 O-2 0.386 0.112 0.053 1 0.0
P1 P+5 0.257 0 0.124 1 0.0
Fe1 Fe+2 0.368 0.368 0 0.782 0.0
Fe3 Fe+2 0.1489 0.3821 0.2458 1 0.0
O5 O-2 0.012 0.235 0.373 1 0.0
