data_global
_chemical_name_mineral 'Suanite'
loop_
_publ_author_name
'Guo G-C'
'Cheng W-D'
'Chen J-T'
'Zhuang H-H'
'Huang J-S'
'Zhang Q-E'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 51 
_journal_year 1995
_journal_page_first 2469
_journal_page_last 2471
_publ_section_title
;
 Monoclinic Mg2B2O5
;
_database_code_amcsd 0010304
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 B2 O5'
_cell_length_a 9.197
_cell_length_b 3.1228
_cell_length_c 12.303
_cell_angle_alpha 90
_cell_angle_beta 104.26
_cell_angle_gamma 90
_cell_volume 342.460
_exptl_crystal_density_diffrn      2.914
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg1 0.00800 0.00600 0.00350 0.00000 0.00180 0.00090
Mg2 0.00670 0.00700 0.00630 -0.00180 0.00210 -0.00090
B1 0.00600 0.00700 0.00400 0.00000 0.00300 0.00400
B2 0.00600 0.00400 0.00600 0.00000 0.00300 -0.00100
O1 0.00300 0.00800 0.00900 0.00100 0.00200 0.00000
O2 0.00600 0.00600 0.00500 0.00100 0.00000 0.00200
O3 0.00900 0.00800 0.00400 -0.00100 0.00100 0.00100
O4 0.00600 0.00800 0.00400 0.00100 -0.00100 0.00200
O5 0.00600 0.01100 0.00400 -0.00300 0.00200 0.00000