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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000942.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_9000942
loop_
_publ_author_name
'Pajunen, A.'
'Lahti, S. I.'
_publ_section_title
;
 The crystal structure of viitaniemiite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              961
_journal_page_last               966
_journal_volume                  69
_journal_year                    1984
_chemical_compound_source
'Viitaniemi pegmatite, Orivesi, southern Finland'
_chemical_formula_sum            'Al Ca0.592 F2 H Mn0.401 Na O5 P'
_chemical_name_mineral           Viitaniemiite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.36
_cell_angle_gamma                90
_cell_length_a                   5.457
_cell_length_b                   7.151
_cell_length_c                   6.836
_cell_formula_units_Z            2
_cell_volume                     251.677
_database_code_amcsd             0000961
_exptl_crystal_density_diffrn    3.242
_cod_original_formula_sum        'Ca.592 Mn.401 Al Na P F2 O5 H'
_cod_database_code               9000942
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-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
Ca 0.50000 0.00000 0.50000 0.59200
Mn 0.50000 0.00000 0.50000 0.40100
Al 0.00000 0.00000 0.00000 1.00000
Na 0.46750 0.25000 -0.04630 1.00000
P -0.03660 0.25000 0.36830 1.00000
F 0.34680 0.00300 0.15470 1.00000
O1 0.24560 0.25000 0.51600 1.00000
O2 -0.23360 0.25000 0.48600 1.00000
O3 -0.08500 0.07550 0.23000 1.00000
O4 0.02390 0.25000 -0.08150 1.00000
H -0.00500 0.25000 -0.20100 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000961
