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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$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_paper_doi               10.1524/zkri.1962.117.1.16
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source
'the Viitaniemi pegmatite in the parish of Erajarvi in central Finland'
_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_formula_units_Z            4
_cell_volume                     361.713
_database_code_amcsd             0010590
_exptl_crystal_density_diffrn    3.131
_cod_depositor_comments
;
Luca Lutterotti, 10/5/2013

Fixed the sites loop using the article coordinate and data
from AMS web site
;
_cod_original_formula_sum        'Mn.8 Fe.1 Be P O5 H'
_cod_database_code               9008078
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010590
