###############################################################################
# Brauner, K.;Preisinger, A. (1956)
# Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 6, 120-140
# Struktur und Entstehung des Sepioliths
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_31142-ICSD
_database_code_ICSD                31142
_audit_creation_date               1986-08-12
_chemical_name_systematic
'Octamagnesium tetrahydroxide dodecasilicate dodecahydrate'
_chemical_formula_structural       
'Mg8 (O H)4 (Si12 O30) (H2 O)12'
_chemical_formula_sum              
'H28 Mg8 O46 Si12'
_publ_section_title                
'H28 Mg8 O46 Si12'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Tschermaks Mineralogische und Petrograph' 1956 6 120 140 MPMTAG
loop_
_publ_author_name
Brauner, K.;Preisinger, A.
_cell_length_a                     13.4
_cell_length_b                     26.8
_cell_length_c                     5.28
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       1896.151
_cell_formula_units_Z              2.000
_symmetry_space_group_name_H-M     'P n c n'
_symmetry_Int_Tables_number        52
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   '-x+1/2, y+1/2, z+1/2'
   2   'x+1/2, y+1/2, -z'
   3   'x, -y, z+1/2'
   4   '-x, -y, -z'
   5   'x+1/2, -y+1/2, -z+1/2'
   6   '-x+1/2, -y+1/2, z'
   7   '-x, y, -z+1/2'
   8   'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+     2.
O2-     -2.
Si4+     4.
O2-     -2.
H1+     1.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Mg1 Mg+2 4 c 0 0.028 0.25 0. 1.
Mg2 Mg+2 4 c 0 0.916 0.25 0. 1.
Mg3 Mg+2 4 c 0 0.14 0.25 0. 1.
Mg4 Mg+2 4 c 0 0.804 0.25 0. 1.
O1   O-2 4 c 0 0.672 0.25 0. 1.
O2   O-2 4 c 0 0.485 0.25 0. 1.
O3   O-2 4 d 0.25 0.25 0.062(5) 0. 1.
Si1 Si+4 8 e 0.208 0.028 0.562 0. 1.
Si2 Si+4 8 e 0.208 0.14 0.562 0. 1.
Si3 Si+4 8 e 0.208 0.196 0.062 0. 1.
O4   O-2 8 e 0.084 0.028 0.562 0. 1.
O5   O-2 8 e 0.084 0.14 0.562 0. 1.
O6   O-2 8 e 0.084 0.196 0.062 0. 1.
O7   O-2 8 e 0.24 0 0.312 0. 1.
O8   O-2 8 e 0.24 0.084 0.562 0. 1.
O9   O-2 8 e 0.24 0.168 0.312 0. 1.
O10  O-2 8 e 0.24 0.168 0.812 0. 1.
O11  O-2 8 e 0.084 0.084 0.062 0. 1.
O12  O-2 8 e 0.083 0.25 0.5 0. 1.
O13  O-2 8 e 0.083 0.416 0.916 0. 1.
#End of data_31142-ICSD

