#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525720.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_1525720
loop_
_publ_author_name
'Brown, G. E.'
'Prewitt, C. T.'
'Papike, J. J.'
'Sueno, S.'
_publ_section_title
;
 A Comparison of the Structures of Low and High Pigeonite
;
_journal_issue                   29
_journal_name_full               'Journal of Geophysical Research'
_journal_page_first              5778
_journal_page_last               5789
_journal_paper_doi               10.1029/JB077i029p05778
_journal_volume                  77
_journal_year                    1972
_chemical_formula_sum            'Ca0.09 Fe0.52 Mg0.39 O3 Si'
_chemical_name_systematic        '(Mg.39 Fe.52 Ca.09) Si O3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.42
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.858
_cell_length_b                   9.053
_cell_length_c                   5.329
_cell_volume                     448.526
_citation_journal_id_ASTM        JGREA2
_cod_data_source_file            Brown_JGREA2_1972_771.cif
_cod_data_source_block           Ca0.09Fe0.52Mg0.39O3Si1
_cod_original_cell_volume        448.5263
_cod_original_formula_sum        'Ca0.09 Fe0.52 Mg0.39 O3 Si1'
_cod_database_code               1525720
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
Si1 Si+4 0.7953 0.0883 0.264 1 0.0
Fe1 Fe+2 0 0.4023 0.25 0.372 0.0
Mg1 Mg+2 0 0.4023 0.25 0.628 0.0
O2 O-2 0.8748 0.2433 0.3499 1 0.0
Mg2 Mg+2 0 0.7677 0.25 0.152 0.0
O3 O-2 0.8524 0.9915 0.5383 1 0.0
O1 O-2 0.62 0.0889 0.1488 1 0.0
Fe2 Fe+2 0 0.7677 0.25 0.668 0.0
Ca1 Ca+2 0 0.7677 0.25 0.18 0.0
