data_global
_chemical_name_mineral 'Shimazakiite'
loop_
_publ_author_name
'Kusachi I'
'Kobayashi S'
'Takechi Y'
'Nakamuta Y'
'Nagase T'
'Yokoyama K'
'Momma K'
'Miyawaki R'
'Shigeoka M'
'Matsubara S'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 93
_journal_page_last 105
_publ_section_title
;
 Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral
 from Fuka, Okayama Prefecture, Japan
 Note: polytype Shimazakiite-4M
;
_database_code_amcsd 0019798
_chemical_compound_source 'Fuka, Okayama Prefecture, Japan'
_chemical_formula_sum 'Ca2 B2 O5'
_cell_length_a 3.5485
_cell_length_b 6.352
_cell_length_c 19.254
_cell_angle_alpha 90
_cell_angle_beta 92.393
_cell_angle_gamma 90
_cell_volume 433.608
_exptl_crystal_density_diffrn      2.784
_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
Ca1   0.28850   0.94930   0.21050   0.00660
Ca2   0.75330   0.19560   0.06186   0.00660
B1   0.16900   0.46500   0.15690   0.01000
B2   0.18900   0.25300   0.41700   0.00900
O1   0.75800   0.80770   0.01490   0.00920
O2   0.77100   0.89080   0.13360   0.00560
O3   0.28500   0.26840   0.14810   0.00680
O4   0.97200   0.54950   0.09710   0.01900
O5   0.20300   0.57610   0.21710   0.00740
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
Ca1 0.00830 0.00720 0.00420 0.00150 -0.00060 -0.00060
Ca2 0.00750 0.00750 0.00460 0.00260 -0.00140 0.00020