data_global
_chemical_name_mineral 'Orientite'
loop_
_publ_author_name
'Moore P B'
'Shen J'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 70 
_journal_year 1985
_journal_page_first 171
_journal_page_last 181
_publ_section_title
;
 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
 structures of ruizite, macfallite and orientite
;
_database_code_amcsd 0000965
_chemical_compound_source 'Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA'
_chemical_formula_sum 'Mn3 Ca2 Si2.5 O14 H4'
_cell_length_a 9.074
_cell_length_b 19.130
_cell_length_c 6.121
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1062.518
_exptl_crystal_density_diffrn      3.396
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1   0.25000   0.00000   0.25000   1.00000
Mn2   0.45490   0.25000   0.24990   0.50000
Ca   0.69780   0.15850   0.00000   1.00000
Si1   0.10570   0.25000   0.00000   0.50000
O1   0.98330   0.18080   0.00000   1.00000
O2   0.20490   0.25000   0.22450   1.00000
Si2   0.03010   0.09700   0.00000   1.00000
O3   0.12940   0.08120   0.21640   1.00000
O4   0.87290   0.05840   0.00000   1.00000
O-H5   0.36770   0.03080   0.00000   1.00000
O-H6   0.43250   0.17660   0.00000   0.50000
O-H7   0.43250   0.17660   0.00000   0.50000
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
Mn1 0.00300 0.00055 0.00535 0.00001 0.00000 -0.00004
Mn2 0.01386 0.00191 0.02308 0.00000 0.00135 0.00000
Ca 0.00871 0.00053 0.00713 0.00017 0.00000 0.00000
Si1 0.00934 0.00104 0.01450 0.00000 0.00000 0.00000
O1 0.00835 0.00042 0.00835 0.00034 0.00000 0.00000
O2 0.00520 0.00063 0.01077 0.00000 -0.00005 0.00000
Si2 0.00373 0.00043 0.00605 0.00006 0.00000 0.00000
O3 0.00327 0.00076 0.00886 0.00018 0.00066 -0.00021
O4 0.00333 0.00104 0.00681 0.00004 0.00000 0.00000
O-H5 0.00374 0.00078 0.00950 -0.00006 0.00000 0.00000
O-H6 0.01277 0.00145 0.02100 -0.00061 0.00000 0.00000
O-H7 0.01277 0.00145 0.02100 -0.00061 0.00000 0.00000