data_global
_chemical_name_mineral 'Roweite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 59 
_journal_year 1974
_journal_page_first 60
_journal_page_last 65
_publ_section_title
;
 Roweite, Ca2Mn2(OH)4[B4O7(OH)2]: Its atomic arrangement
;
_database_code_amcsd 0000393
_chemical_formula_sum 'Ca2 Mn2 B4 (O13 H6)'
_cell_length_a 9.057
_cell_length_b 13.357
_cell_length_c 8.289
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1002.756
_exptl_crystal_density_diffrn      2.963
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,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
Ca   0.23330   0.13170   0.24450   0.01102
Mn1   0.00000   0.00000   0.00000   0.01305
Mn2   0.50000   0.00000   0.00000   0.01646
Mn3   0.48030   0.24680   0.00000   0.01317
B1   0.20970   0.30030   0.50000   0.01444
B2   0.23310   0.47530   0.50000   0.00722
B3   0.37170   0.37930   0.29290   0.00937
O-H1   0.11430   0.20910   0.50000   0.01760
O-H2   0.16110   0.57190   0.50000   0.01102
O3   0.12870   0.39110   0.50000   0.00861
O4   0.30920   0.29240   0.35500   0.01684
O5   0.32870   0.46950   0.35330   0.01469
O6   0.47240   0.37400   0.16950   0.01102
O-H7   0.23830   0.02150   0.00000   0.01343
O-H8   0.22900   0.23730   0.00000   0.01583
O-H9   0.48620   0.12290   0.16420   0.01444