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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104449.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_8104449
loop_
_publ_author_name
'Vasic, P.'
'Prelesnik, B.'
'Curic, M.'
'Herak, R.'
_publ_section_title
;
 The crystal structure of Mn (H2 P O4)2 (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              193
_journal_page_last               198
_journal_volume                  173
_journal_year                    1985
_chemical_formula_sum            'H8 Mn O10 P2'
_chemical_name_systematic        'Mn (H2 P O4)2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.79
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3774
_cell_length_b                   10.17
_cell_length_c                   7.315
_cell_volume                     398.647
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Vasic_ZEKRDZ_1985_1356.cif
_cod_data_source_block           H8Mn1O10P2
_cod_original_cell_volume        398.6467
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H8 Mn1 O10 P2'
_cod_database_code               8104449
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
O1 O-2 0.2341 0.3614 0.3628 1 0.0
H2 H+1 0.599 0.216 0.468 1 0.0
O4 O-2 0.0705 0.1437 0.4683 1 0.0
O5 O-2 0.23 0.5359 0.7095 1 0.0
H4 H+1 0.132 0.139 0.549 1 0.0
O2 O-2 0.1646 0.1676 0.1471 1 0.0
P1 P+5 0.2451 0.21452 0.3384 1 0.0
O3 O-2 0.5183 0.1648 0.3902 1 0.0
Mn1 Mn+2 0.5 0.5 0.5 1 0.0
H3 H+1 0.19 0.458 0.7569 1 0.0
H1 H+1 0.106 0.574 0.673 1 0.0
