#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/42/2004240.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2004240
loop_
_publ_author_name
'Guo, Guo-Cong'
'Cheng, Wen-Dan'
'Chen, Jiu-Tong'
'Zhuang, Hong-Hui'
'Huang, Jin-Shun'
'Zhang, Qian-Er'
_publ_section_title
;
 Monoclinic Mg₂B₂O₅
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2469
_journal_page_last               2471
_journal_paper_doi               10.1107/s0108270195008298
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'Mg2 B2 O5'
_chemical_formula_sum            'B2 Mg2 O5'
_chemical_formula_weight         150.24
_chemical_name_mineral           Suanite
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.197(4)
_cell_length_b                   3.1228(9)
_cell_length_c                   12.303(4)
_cell_measurement_temperature    293
_cell_volume                     342.5(4)
_database_code_amcsd             0010304
_exptl_crystal_density_diffrn    2.91
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Mg2 B2 O5'
_cod_database_code               2004240
loop_
_space_group_symop_operation_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_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg1 1 .1023(2) .2133(8) .18580(10) .0056(4)
Mg2 1 .6440(2) .2961(8) .89470(10) .0065(5)
O1 1 .4957(4) -0.8020(10) .1370(3) .0071(8)
O2 1 .2582(4) -0.2780(10) .2381(3) .0058(8)
O3 1 .1804(4) .2200(10) .0463(3) .0071(8)
O4 1 -.0535(4) -0.2910(10) .1522(3) .0065(8)
O5 1 .3005(4) -0.4260(10) -.0693(3) .0069(8)
B1 1 .3573(5) -0.228(2) .3411(4) .0050(10)
B2 1 .1683(6) -0.654(2) -.0606(4) .0050(10)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010304
