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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209469.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_7209469
loop_
_publ_author_name
'Utzolino, A.'
'Bluhm, K.'
_publ_section_title
;
 Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel
 von Mn(II)2 Mn(III) (B O3) O2 und Mn(II) Sr Mn(III) (B O3) O2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              1433
_journal_page_last               1438
_journal_volume                  51
_journal_year                    1996
_chemical_formula_sum            'B Mn3 O5'
_chemical_name_systematic        'Mn2 Mn (B O3) O2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.26
_cell_length_b                   12.415
_cell_length_c                   3.0496
_cell_volume                     350.591
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_359.cif
_cod_data_source_block           B1Mn3O5
_cod_original_cell_volume        350.5909
_cod_original_formula_sum        'B1 Mn3 O5'
_cod_database_code               7209469
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-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 0.5 1 0.0
Mn3 Mn+2 0.5 0 0 1 0.0
Mn1 Mn+2 0.0049 0.2789 0.5 1 0.0
O2 O-2 0.1071 0.1417 0.5 1 0.0
B1 B+3 0.277 0.36 0 1 0.0
O4 O-2 0.3885 0.0809 0.5 1 0.0
O5 O-2 0.3542 0.2639 0 1 0.0
O1 O-2 0.1474 0.9572 0 1 0.0
O3 O-2 0.128 0.3569 0 1 0.0
Mn4 Mn+3 0.2407 0.1158 0 1 0.0
