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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001399
loop_
_publ_author_name
'Steele, I. M.'
'Olsen, E.'
'Pluth, J. J.'
'Davis, A. M.'
_publ_section_title
;Occurrence and crystal structure of Ca-free beusite in the El Sampal IIIA
 iron meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1985
_journal_page_last               1989
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Fe1.5 Mn1.5 O8 P2'
_chemical_name_mineral           Beusite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.09
_cell_angle_gamma                90
_cell_length_a                   8.757
_cell_length_b                   11.381
_cell_length_c                   6.136
_cell_formula_units_Z            4
_cell_volume                     603.855
_database_code_amcsd             0001437
_exptl_crystal_density_diffrn    3.917
_cod_original_formula_sum        'P2 (Mn1.5 Fe1.5) O8'
_cod_database_code               9001399
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P1 0.09110 0.13720 0.39320 1.00000
P2 0.60650 0.08780 0.80700 1.00000
Mn1 0.94570 0.11650 0.84410 0.50000
Fe1 0.94570 0.11650 0.84410 0.50000
Mn2 0.72180 0.07990 0.32970 0.50000
Fe2 0.72180 0.07990 0.32970 0.50000
Mn3 0.36390 0.19180 0.12600 0.50000
Fe3 0.36390 0.19180 0.12600 0.50000
O1 0.07600 0.06750 0.17660 1.00000
O2 0.48180 0.17830 0.83030 1.00000
O3 0.94020 0.20310 0.40670 1.00000
O4 0.70010 0.12500 0.62810 1.00000
O5 0.22040 0.22680 0.37910 1.00000
O6 0.72760 0.08440 0.01590 1.00000
O7 0.12990 0.06270 0.60040 1.00000
O8 0.53350 -0.03430 0.75880 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001437
