#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/68/1536846.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536846
loop_
_publ_author_name
'Rastsvetaeva, R.K.'
'Tamazyan, R.A.'
'Sokolova, E.V.'
'Belakovskii, D.I.'
_publ_section_title
;
 Crystal structures of two modifications of natural Ba, Mn-titanium
 silicate.
;
_journal_name_full               Kristallografiya
_journal_page_first              354
_journal_page_last               360
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Ba H2 Mn2 O10 Si2 Ti'
_chemical_name_systematic        'Ba Mn2 (Ti O) (Si2 O7) (O H)2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.361
_cell_length_b                   6.906
_cell_length_c                   12.556
_cell_volume                     403.391
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rastsvetaeva_KRISAJ_1991_1117.cif
_cod_data_source_block           H2Ba1Mn2O10Si2Ti1
_cod_original_cell_volume        403.3908
_cod_original_formula_sum        'H2 Ba1 Mn2 O10 Si2 Ti1'
_cod_database_code               1536846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn2 Mn+2 0 0 0 1 0.0
Ba1 Ba+2 0.2896 0.25 0.5343 1 0.0
Mn1 Mn+2 0.5081 0.25 0.0092 1 0.0
O2 O-2 0.746 0.25 0.919 1 0.0
O7 O-2 0.28 0.05 0.316 1 0.0
O4 O-2 0.316 0.25 0.122 1 0.0
Ti1 Ti+4 0.5008 0.25 0.2884 1 0.0
O6 O-2 0.795 0.051 0.314 1 0.0
Si1 Si+4 0.042 0.027 0.7489 1 0.0
O5 O-2 0.887 0.25 0.72 1 0.0
O1 O-2 0.781 -0.003 0.102 1 0.0
O3 O-2 0.726 0.25 0.481 1 0.0
