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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104019.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_8104019
loop_
_publ_author_name
'Ivashkevich, L.S.'
'Selevich, K.A.'
'Lyakhov, A.S.'
'Lesnikovich, A.I.'
'Selevich, A.F.'
_publ_section_title
;
 Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and
 double Mn Li P2 O7: crystal structure determination from x-ray powder
 diffraction data
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              115
_journal_page_last               121
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'H Mn O7 P2'
_chemical_name_systematic        'Mn H P2 O7'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.1791
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7547
_cell_length_b                   8.316
_cell_length_c                   4.8769
_cell_volume                     251.832
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ivashkevich_ZEKRDZ_2006_1960.cif
_cod_data_source_block           H1Mn1O7P2
_cod_original_cell_volume        251.8325
_cod_original_formula_sum        'H1 Mn1 O7 P2'
_cod_database_code               8104019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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
O4 O-2 0.024 0.3804 0.239 1 0.0
Mn1 Mn+3 0.2326 0.25 0.235 1 0.0
O3 O-2 0.4338 0.442 1.093 1 0.0
O5 O-2 -0.041 0.6901 0.159 1 0.0
O7 O-2 0.1964 0.5682 0.668 1 0.0
O6 O-2 -0.191 0.556 0.464 1 0.0
P2 P+5 -0.0181 0.5426 0.3443 1 0.0
O2 O-2 0.573 0.6088 0.769 1 0.0
P1 P+5 0.4342 0.4751 0.7931 1 0.0
O1 O-2 0.444 0.3262 0.6 1 0.0
