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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/7/22/10/7221037.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_7221037
loop_
_publ_author_name
'Escobal, J.'
'Mesa, J.L.'
'Pizarro, J.L.'
'Lezama, L.'
'Olazcuaga, R.'
'Rojo, T.'
_publ_section_title
;
 Hydrothermal synthesis, structural, spectroscopic and magnetic studies of
 a lamellar phosphate: Ba (Mn P O4)2 . (H2 O)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2691
_journal_page_last               2695
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Ba H2 Mn2 O9 P2'
_chemical_name_systematic        'Ba (Mn P O4)2 (H2 O)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.457
_cell_length_b                   4.984
_cell_length_c                   8.346
_cell_volume                     393.121
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Escobal_JMACEP_1999_136.cif
_cod_data_source_block           H2Ba1Mn2O9P2
_cod_original_cell_volume        393.1211
_cod_original_formula_sum        'H2 Ba1 Mn2 O9 P2'
_cod_database_code               7221037
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,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
O3 O-2 0.492 0.168 0.804 1 0.0
O5 O-2 0.682 0.821 0.255 1 0.0
Ba1 Ba+2 0.5 0.628 0 1 0.0
O2 O-2 0.33 0.251 0.564 1 0.0
O4 O-2 0.748 0.791 0.849 1 0.0
O1 O-2 0.5 0.75 0.5 1 0.0
P1 P+5 0.3446 0.127 0.7419 1 0.0
Mn1 Mn+2 0.3364 0.067 0.3422 1 0.0
