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#$Date: 2015-09-08 22:21:55 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155293 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530229.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_1530229
loop_
_publ_author_name
'Kurkutova, E.N.'
'Rau, V.G.'
'Rumanova, I.M.'
_publ_section_title
;
 Crystalline structure of seamanit Mn3 (P O4/B O3) (H2 O)3 = Mn3 (P O3 O
 H) (B O (O H)3) (O H)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1070
_journal_page_last               1073
_journal_volume                  197
_journal_year                    1971
_chemical_formula_sum            'B H6 Mn3 O10 P'
_chemical_name_systematic        'Mn3 (B O (O H)3) (H P O4) (O H)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.86
_cell_length_b                   14.83
_cell_length_c                   6.7
_cell_volume                     780.977
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kurkutova_DANKAS_1971_371.cif
_cod_data_source_block           H6B1Mn3O10P1
_cod_cif_authors_sg_Hall         '-P 2ac 2n (z,x,y)'
_cod_original_cell_volume        780.9774
_cod_chemical_formula_sum_orig   'H6 B1 Mn3 O10 P1'
_cod_database_code               1530229
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
O8 O-2 0.327 0.116 0.25 1 0.0
Mn1 Mn+2 0.15 0.142 0.001 1 0.0
O7 O-2 0.818 0.302 0.25 1 0.0
B1 B+3 0.01 0.314 0.25 1 0.0
O2 O-2 0.081 0.275 0.084 1 0.0
O1 O-2 0.041 0.408 0.25 1 0.0
O4 O-2 0.004 0.086 0.25 1 0.0
Mn2 Mn+2 0.28 0.475 0.25 1 0.0
O3 O-2 0.684 0.135 0.25 1 0.0
O5 O-2 0.779 0.004 0.073 1 0.0
P1 P+5 0.809 0.053 0.25 1 0.0
O6 O-2 0.459 0.369 0.25 1 0.0