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#$Date: 2013-05-14 11:01:48 +0300 (Tue, 14 May 2013) $
#$Revision: 86235 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008078.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_9008078
loop_
_publ_author_name
'Mrose, M. E.'
'Appleman, D. E.'
_publ_section_title
;The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: the Viitaniemi
 pegmatite in the parish of Erajarvi in central Finland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              16
_journal_page_last               36
_journal_volume                  117
_journal_year                    1962
_chemical_formula_sum            'Be Fe0.1 H Mn0.8 O5 P'
_chemical_name_mineral           Vayrynenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.75
_cell_angle_gamma                90
_cell_length_a                   5.411
_cell_length_b                   14.49
_cell_length_c                   4.730
_cell_volume                     361.713
_exptl_crystal_density_diffrn    3.131
_[local]_cod_chemical_formula_sum_orig 'Mn.8 Fe.1 Be P O5 H'
_cod_database_code               9008078
_amcsd_database_code             AMCSD#0010590
loop_
_symmetry_equiv_pos_as_xyz
x,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_occupancy
_atom_site_B_iso_or_equiv
Mn    .248 .4390 .940 .85  .51
Fe    .248 .4390 .940 .15  .51
Be    .431 .2640 .783  1  .65
P     .195 .1045 .539  1  .23
O1    .366 .0401 .753  1  .59
O2    .463 .3662 .654  1  .39
O3    .346 .1932 .506  1  .46
O4    .106 .0600 .245  1  .59
O5(OH)    .212 .2765 .969  1  .74

_[local]_cod_depositor_comments
;
Luca Lutterotti, 10/5/2013

Fixed the sites loop using the article coordinate and data
from AMS web site
;