data_global
_chemical_name_mineral 'Warwickite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 985
_journal_page_last 1004
_publ_section_title
;
 Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
 Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
 structures
;
_database_code_amcsd 417
_chemical_compound_source 'Warwick, Orange County, New York, USA'
_chemical_formula_sum '(Mg1.58 Ti.42) B O4'
_cell_length_a 9.197
_cell_length_b 9.358
_cell_length_c 3.085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 265.512
_exptl_crystal_density_diffrn  3.335
_symmetry_space_group_name_H-M 'P n a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg1   0.1149  0.5695  0.25  0.62  0.00912
Ti1   0.1149  0.5695  0.25  0.38  0.00912
Mg2   0.1032  0.1899  0.25  0.96  0.00557
Ti2   0.1032  0.1899  0.25  0.04  0.00557
B   0.1673  0.8753  0.25  1.0  0.00836
O1   0.0206  0.8653  0.25  1.0  0.01355
O2   0.2488  0.7507  0.25  1.0  0.01279
O3   0.2353  0.0074  0.25  1.0  0.01064
O4   0.0118  0.3842  0.25  1.0  0.01102