#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310979.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310979
loop_
_publ_author_name
'Takeuchi, Y.'
_publ_section_title
;
 The crystal structure of magnesium pyroborate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              574
_journal_page_last               581
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'B2 Mg2 O5'
_chemical_name_systematic        'Mg2 (B2 O5)'
_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                 104.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1
_cell_length_b                   3.12
_cell_length_c                   9.36
_cell_volume                     342.364
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Takeuchi_ACCRA9_1952_172.cif
_cod_data_source_block           B2Mg2O5
_cod_original_cell_volume        342.3644
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               2310979
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
O3 O-2 0.315 0.5 0.199 1 0.0
Mg1 Mg+2 0.147 0.31 0.135 1 0.0
B2 B+3 0.408 0.35 0.146 1 0.0
O2 O-2 0.39 0.8 0.438 1 0.0
Mg2 Mg+2 0.061 0.75 0.412 1 0.0
O5 O-2 0.387 0.31 0 1 0.0
O1 O-2 0.187 0.81 0.32 1 0.0
B1 B+3 0.298 0.71 0.321 1 0.0
O4 O-2 0.006 0.25 0.245 1 0.0
