#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/21/1532121.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_1532121
loop_
_publ_author_name
'Rozenberg, G.Kh.'
'Naaman, O.'
'Dubrovinskii, L.S.'
'Ahuja, R.'
'Le Bihan, T.'
'Pasternak, M.P.'
_publ_section_title
;
 High-pressure structural studies of hematite Fe2 O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064112-1
_journal_page_last               064112-8
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Fe2 O3'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6428
_cell_length_b                   4.6003
_cell_length_c                   4.9263
_cell_volume                     150.542
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rozenberg_PRBMDO_2002_1233.cif
_cod_data_source_block           Fe2O3
_cod_original_cell_volume        150.5422
_cod_database_code               1532121
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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 0.048 0.25 1 0.0
O1 O-2 0.869 0.626 0.089 1 0.0
Fe1 Fe+3 0.126 0.755 0.03 1 0.0
