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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008078.cif $
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#
# 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#0010268
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_U_iso_or_equiv
Mn 0.24000 8.43900 0.94000 0.80000 0.06966
Fe 0.24000 8.43900 0.94000 0.10000 0.06966
Be 0.43000 1.26400 0.78000 3.00000 0.00760
P 0.19000 5.10400 5.53000 9.00000 0.00253
O1 0.36000 6.04000 1.75000 3.00000 0.00633
O2 0.46000 3.36600 2.65000 4.00000 0.00380
O3 0.34000 6.19300 2.50000 6.00000 0.00507
O4 0.10000 6.06000 0.24000 5.00000 0.00633
O-H 0.21000 2.27600 5.96000 9.00000 0.00887