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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/7/22/25/7222538.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_7222538
loop_
_publ_author_name
'Stock, N.'
'Stucky, G.D.'
'Cheetham, A.K.'
_publ_section_title
;
 Synthesis and characterisation of the manganese pyroarsenate Mn2 As2 O7 *
 2(H2 O)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              359
_journal_page_last               363
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'As2 H4 Mn2 O9'
_chemical_name_systematic        'Mn2 (As2 O7) (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                 94.935
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6576
_cell_length_b                   14.5552
_cell_length_c                   7.8147
_cell_volume                     754.458
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Stock_ZNBSEN_2001_163.cif
_cod_data_source_block           H4As2Mn2O9
_cod_original_cell_volume        754.4583
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H4 As2 Mn2 O9'
_cod_database_code               7222538
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
As1 As+5 0.26021 0.08184 0.65574 1 0.0
O6 O-2 0.0281 0.15446 1.1418 1 0.0
O3 O-2 0.4641 0.14974 0.664 1 0.0
O7 O-2 0.2305 0.2685 0.9181 1 0.0
Mn1 Mn+2 0.2405 -0.1117 0.41268 1 0.0
Mn2 Mn+2 0.04816 0.24592 0.3603 1 0.0
O2 O-2 0.3175 -0.02723 0.6285 1 0.0
As2 As+5 0.06093 0.1847 0.9413 1 0.0
O4 O-2 0.1658 0.08493 0.8584 1 0.0
O1 O-2 0.0722 0.12522 0.5245 1 0.0
O8 O-2 0.0663 0.3466 0.5779 1 0.0
O9 O-2 0.2553 0.0026 0.2347 1 0.0
O5 O-2 -0.1498 0.20652 0.8153 1 0.0
