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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000157.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_9000157
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
 structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1603
_journal_page_last               1613
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'As H4 Mn2 O8 Y'
_chemical_name_mineral           Retzian
_space_group_IT_number           50
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.67
_cell_length_b                   12.03
_cell_length_c                   4.863
_cell_volume                     331.706
_exptl_crystal_density_diffrn    4.062
_[local]_cod_cif_authors_sg_H-M  'P b a n'
_[local]_cod_chemical_formula_sum_orig 'Y As Mn2 O8 H4'
_cod_database_code               9000157
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,-z
-x,1/2+y,z
x,1/2-y,-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Y 0.25000 0.25000 0.00000 0.00076
As 0.75000 0.25000 0.50000 0.00557
Mn 0.25000 0.55480 0.00000 0.01026
O 0.57690 0.31980 0.30450 0.01381
O-H 0.57830 0.57700 0.20100 0.01368