#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009483.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_9009483
loop_
_publ_author_name
'Hoyos, M. A.'
'Calderon, T.'
'Vergara, I.'
'Garcia-Sole J'
_publ_section_title
;
 New structural and spectroscopic data for eosphorite
 Locality: Taquaral, Brazil
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              329
_journal_page_last               336
_journal_volume                  57
_journal_year                    1993
_chemical_formula_sum            'Al Fe0.2 H4 Mn0.8 O7 P'
_chemical_name_mineral           Eosphorite
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.928
_cell_length_b                   10.445
_cell_length_c                   13.501
_cell_volume                     976.972
_exptl_crystal_density_diffrn    3.115
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_11639'
_[local]_cod_chemical_formula_sum_orig '(Mn.8 Fe.2) Al P O7 H4'
_cod_database_code               9009483
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn 0.25000 0.13330 0.25000 0.80000
Fe 0.25000 0.13330 0.25000 0.20000
Al 0.25000 0.25000 0.00000 1.00000
P 0.00000 0.37720 0.33340 1.00000
O1 0.00000 0.26560 0.25840 1.00000
O2 0.00000 0.00670 0.21950 1.00000
O3 0.00000 0.25220 0.04920 1.00000
O4 0.18010 0.11040 0.40930 1.00000
O5 0.31950 0.13240 0.60060 1.00000
H1 0.11000 0.28500 0.08000 1.00000
H2 0.18200 0.03500 0.42100 1.00000