data_global
_chemical_name_mineral 'Johachidolite'
loop_
_publ_author_name
'Kadiyski M'
'Armbruster T'
'Gunther D'
'Reusser E'
'Peretti A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 20 
_journal_year 2008
_journal_page_first 965
_journal_page_last 973
_publ_section_title
;
 Johachidolite, CaAl[B3O7], a mineralogical and structural peculiarity
;
_database_code_amcsd 0007267
_chemical_compound_source 'Mogok district, Myanmar'
_chemical_formula_sum 'Ca Al B3 O7'
_cell_length_a 7.967
_cell_length_b 11.723
_cell_length_c 4.3718
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 408.314
_exptl_crystal_density_diffrn      3.440
_symmetry_space_group_name_H-M 'C m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,-y,z'
  '+x,1/2-y,z'
  '1/2-x,y,-z'
  '-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,z'
  '-x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.25000   0.25000   0.00000   0.00801
Al   0.00000   0.00000   0.00000   0.00419
B1   0.25000   0.00000   0.50000   0.00436
B2   0.00000   0.13658   0.45836   0.00479
O1   0.00000   0.25000   0.32945   0.00599
O2   0.00000   0.13131  -0.22291   0.00538
O3   0.14664   0.07316   0.29975   0.00471
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
Ca 0.00840 0.00811 0.00752 0.00000 0.00273 0.00000
Al 0.00491 0.00432 0.00333 0.00000 0.00000 0.00016
B1 0.00410 0.00470 0.00420 0.00000 0.00000 0.00000
B2 0.00540 0.00460 0.00430 0.00000 0.00000 0.00001
O1 0.01020 0.00320 0.00450 0.00000 0.00000 0.00000
O2 0.00730 0.00530 0.00346 0.00000 0.00000 0.00031
O3 0.00406 0.00546 0.00460 0.00092 -0.00018 0.00028