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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510791.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_1510791
loop_
_publ_author_name
'Konovalenko, S.I.'
'Pushcharovskii, D.Yu.'
'Yamnova, N.A.'
'Kalacheva, L.V.'
_publ_section_title
;
 Crystal structure of a new natural tusionite borate Mn Sn (B O3)2.
;
_journal_name_full               Kristallografiya
_journal_page_first              1557
_journal_page_last               1558
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'B2 Ca0.02 Fe0.15 Mn0.83 O6 Sn'
_chemical_name_systematic        '(Mn0.83 Fe0.15 Ca0.02) Sn (B O3)2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.771
_cell_length_b                   4.771
_cell_length_c                   15.304
_cell_volume                     301.685
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron_29.cif
_cod_data_source_block           B2Ca0.02Fe0.15Mn0.83O6Sn1
_cod_original_cell_volume        301.6855
_cod_original_formula_sum        'B2 Ca0.02 Fe0.15 Mn0.83 O6 Sn1'
_cod_database_code               1510791
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Sn1 Sn 0 0 0 1 0.0
B1 B 0 0 0.2552 1 0.0
Ca1 Ca 0 0 0.5 0.02 0.0
O1 O -0.0141 0.2822 0.25415 1 0.0
Mn1 Mn 0 0 0.5 0.83 0.0
Fe1 Fe 0 0 0.5 0.15 0.0
