data_global
_chemical_name_mineral 'Muirite'
loop_
_publ_author_name
'Khan A A'
'Baur W H'
_journal_name_full 'Science'
_journal_volume 173 
_journal_year 1971
_journal_page_first 916
_journal_page_last 918
_publ_section_title
;
 Eight-membered cyclosilicate rings in muirite
;
_database_code_amcsd 0020849
_chemical_compound_source 'Esquire No. 7 mine, Big Creek, Fresno County, California'
_chemical_formula_sum 'Ba10 (Ca2 Mn Ti) Si8 O32 Cl8 H12'
_cell_length_a 14.030
_cell_length_b 14.030
_cell_length_c 5.635
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1109.198
_exptl_crystal_density_diffrn      3.875
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,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_occupancy
_atom_site_U_iso_or_equiv
Ba(1)   0.50000   0.16560   0.00000   1.00000   0.01456
Ba(2)   0.00000   0.00000   0.00000   1.00000   0.04179
Ba(3)   0.50000   0.50000   0.24470   0.50000   0.02254
Ba(4)   0.26710   0.26710   0.50000   1.00000   0.01444
CaX   0.36350   0.00000   0.50000   0.50000   0.00633
MnX   0.36350   0.00000   0.50000   0.25000   0.00633
TiX   0.36350   0.00000   0.50000   0.25000   0.00633
Si   0.26540   0.10300   0.00000   1.00000   0.01229
O(1)   0.20740   0.00000   0.00000   1.00000   0.02153
O(2)   0.18010   0.18010   0.06430   0.50000   0.01646
O(3)   0.32890   0.11410   0.23450   1.00000   0.02406
O-H(4)   0.50000   0.00000   0.26190   1.00000   0.04686
Wat(5)   0.09770   0.09770   0.50000   1.00000   0.05953
Cl(1)   0.50000   0.27770   0.50000   1.00000   0.02026
Cl(2)   0.35250   0.35250   0.00000   1.00000   0.01900