#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/11/1521192.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1521192
loop_
_publ_author_name
'Huminicki, D.M.C.'
'Hawthorne, F.C.'
_publ_section_title
;
 Refinement of the crystal structure of vayrynenite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1425
_journal_page_last               1432
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum
'Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P'
_chemical_name_systematic
;
(Mn0.776 Fe0.229 Mg0.007) Be (P O4) ((O H)0.92 F0.08)
;
_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                 102.798
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4044
_cell_length_b                   14.5145
_cell_length_c                   4.7052
_cell_volume                     359.917
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Huminicki_CAMIA6_2000_1675.cif
_cod_data_source_block           H0.92Be1F0.08Fe0.229Mg0.007Mn0.776O4.92P1
_cod_original_cell_volume        359.9169
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum
'H0.92 Be1 F0.08 Fe0.229 Mg0.007 Mn0.776 O4.92 P1'
_cod_database_code               1521192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
F1 F-1 0.2122 0.27691 0.9691 0.08 0.0
Fe1 Fe+2 0.24887 0.43928 0.93894 0.229 0.0
P1 P+5 0.19518 0.10456 0.54042 1 0.0
O5 O-2 0.2122 0.27691 0.9691 0.92 0.0
Mg1 Mg+2 0.24887 0.43928 0.93894 0.007 0.0
O3 O-2 0.344 0.19313 0.5101 1 0.0
O4 O-2 0.1045 0.05938 0.2441 1 0.0
Be1 Be+2 0.4369 0.2625 0.7811 1 0.0
O1 O-2 0.3658 0.03931 0.7548 1 0.0
Mn1 Mn+2 0.24887 0.43928 0.93894 0.776 0.0
H1 H+1 0.256 0.252 0.168 0.92 0.0
O2 O-2 0.4608 0.36598 0.6591 1 0.0
