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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/9/01/13/9011382.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_9011382
loop_
_publ_author_name
'Guo, G.-C.'
'Cheng, W.-D.'
'Chen, J.-T.'
'Zhuang, H.-H.'
'Huang, J.-S.'
'Zhang, Q.-E.'
_publ_section_title
;
 Monoclinic Mg2B2O5
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2469
_journal_page_last               2471
_journal_paper_doi               10.1107/S0108270195008298
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'B2 Mg2 O5'
_chemical_name_mineral           Suanite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.26
_cell_angle_gamma                90
_cell_length_a                   9.197
_cell_length_b                   3.1228
_cell_length_c                   12.303
_cell_formula_units_Z            4
_cell_volume                     342.460
_exptl_crystal_density_diffrn    2.914
_cod_original_formula_sum        'Mg2 B2 O5'
_cod_database_code               9011382
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-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
_atom_site_U_iso_or_equiv
Mg1 0.10230 0.21330 0.18580 0.00560
Mg2 0.64400 0.29610 0.89470 0.00650
B1 0.35730 -0.22800 0.34110 0.00500
B2 0.16830 -0.65400 -0.06060 0.00500
O1 0.49570 -0.80200 0.13700 0.00710
O2 0.25820 -0.27800 0.23810 0.00580
O3 0.18040 0.22000 0.04630 0.00710
O4 -0.05350 -0.29100 0.15220 0.00650
O5 0.30050 -0.42600 -0.06930 0.00690
_cod_duplicate_entry 2004240
