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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/9/00/82/9008261.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_9008261
loop_
_publ_author_name
'Klaska, K. H.'
'Jarchow, O.'
_publ_section_title
;
 Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3
 und das trimeritgesetz der verzwillingung
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              46
_journal_page_last               65
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'Be3 Ca Mn2 O12 Si3'
_chemical_name_mineral           Trimerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_length_a                   8.098
_cell_length_b                   7.613
_cell_length_c                   14.065
_cell_formula_units_Z            4
_cell_volume                     867.108
_database_code_amcsd             0010789
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        'Ca Mn2 Be3 Si3 O12'
_cod_database_code               9008261
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.75040 0.00180 0.24920
Mnl 0.23840 0.03830 0.07260
Mn2 0.25920 0.46330 0.08990
Bel 0.08050 0.16260 0.23600
Be2 0.89740 0.66150 0.07900
Be3 0.56330 0.16350 0.09170
Sil 0.08030 0.77180 0.23350
Si2 0.89010 0.27280 0.07670
Si3 0.56000 0.77040 0.09310
O1 0.57660 0.25860 0.19390
O2 0.92120 0.26070 0.19090
O3 0.74750 0.75850 0.13540
O4 0.25220 0.25310 0.20300
O5 0.06510 0.23820 0.02220
O6 0.43030 0.26160 0.02160
O7 0.05920 0.63120 0.14760
O8 0.74770 0.13420 0.04510
O9 0.44230 0.63220 0.14930
O10 0.07760 0.96780 0.18460
O11 0.82140 0.46970 0.05130
O12 0.48660 0.96770 0.11370
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010789
