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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011385.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_9011385
loop_
_publ_author_name
'Guelylah, A.'
'Breczewski, T.'
'Madariaga, G.'
_publ_section_title
;
 A new langbeinite: dipotassium dimanganese tetrafluoroberyllate
 Locality: synthetic
 Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2951
_journal_page_last               2954
_journal_paper_doi               10.1107/S0108270196008827
_journal_volume                  52
_journal_year                    1996
_chemical_formula_structural     K2Mn2(BeF4)3
_chemical_formula_sum            'Be3 F12 K2 Mn2'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.075
_cell_length_b                   10.075
_cell_length_c                   10.075
_cell_formula_units_Z            4
_cell_volume                     1022.669
_exptl_crystal_density_diffrn    2.878
_cod_original_formula_sum        'K2 Mn2 Be3 F12'
_cod_database_code               9011385
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K1 0.18818 0.31182 0.68818 0.03590
K2 0.45198 0.95198 0.54802 0.04230
Mn1 0.33300 0.33300 0.33300 0.01930
Mn2 0.59513 0.59513 0.59513 0.01720
Be 0.28120 0.62500 0.51630 0.01800
F1 0.18710 0.72430 0.45060 0.05700
F2 0.42210 0.67520 0.51060 0.05900
F3 0.26500 0.50170 0.42950 0.08000
F4 0.24020 0.58690 0.65420 0.05800
_cod_duplicate_entry 2005698
