data_global
_chemical_name_mineral 'Barroisite'
loop_
_publ_author_name
'Heritsch H'
'Paulitsch P'
'Walitzi E M'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 6 
_journal_year 1957
_journal_page_first 215
_journal_page_last 22
_publ_section_title
;
 Die Struktur von Karinthin und einer barroisitischen Hornblende
 Note: this is not a good structure
;
_database_code_amcsd 0019554
_chemical_formula_sum 'Na Ca Al2 Mg3 Si8 O24 H2'
_cell_length_a 9.90
_cell_length_b 18.04
_cell_length_c 5.33
_cell_angle_alpha 90
_cell_angle_beta 106.75
_cell_angle_gamma 90
_cell_volume 911.528
_exptl_crystal_density_diffrn      2.917
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+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'
  '-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_occupancy
NaA   0.00000   0.50000   0.00000   1.00000
CaM4   0.00000   0.27900   0.50000   0.50000
AlM1   0.00000   0.08900   0.50000   1.00000
MgM2   0.00000   0.17800   0.00000   1.00000
MgM3   0.00000   0.00000   0.00000   1.00000
Si1   0.27600   0.08700   0.07000   1.00000
Si2   0.29300   0.17000   0.57000   1.00000
O1   0.09900   0.09200   0.12000   1.00000
O-H2   0.11700   0.00000   0.60000   1.00000
O3   0.11700   0.17600   0.61000   1.00000
O4   0.36300   0.25000   0.44000   1.00000
O5   0.34900   0.13800   0.80000   1.00000
O6   0.34100   0.11700   0.29000   1.00000
O7   0.34300   0.00000   0.01000   1.00000