#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103462.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_8103462
loop_
_publ_author_name
'Norrestam, R.'
_publ_section_title
;
 Structural investigations of two synthetic warwickites: Undistorted
 orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              1
_journal_page_last               11
_journal_paper_doi               10.1524/zkri.1989.189.1-2.1
_journal_volume                  189
_journal_year                    1989
_chemical_formula_sum            'B Mg0.76 Mn1.24 O4'
_chemical_name_systematic        '(Mg0.76 Mn0.24) Mn O (B O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 85.65
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.37
_cell_length_b                   9.279
_cell_length_c                   3.181
_cell_volume                     275.773
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_346.cif
_cod_data_source_block           B1Mg0.76Mn1.24O4
_cod_original_cell_volume        275.7729
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'B1 Mg0.76 Mn1.24 O4'
_cod_database_code               8103462
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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
O3 O-2 0.2619 0.7375 0.2341 1 0.0
B1 B+3 0.3357 0.8686 0.2755 1 0.0
O1 O-2 -0.0137 0.1117 0.2179 1 0.0
O4 O-2 0.4805 0.8678 0.2705 1 0.0
Mn1 Mn+3 0.3816 0.5609 0.2388 1 0.0
Mn2 Mn+2 0.3977 0.1808 0.2544 0.24 0.0
Mg1 Mg+2 0.3977 0.1808 0.2544 0.76 0.0
O2 O-2 0.259 -0.0039 0.3064 1 0.0
