#------------------------------------------------------------------------------
#$Date: 2018-07-22 05:30:19 +0300 (Sun, 22 Jul 2018) $
#$Revision: 209182 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310860.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310860
loop_
_publ_author_name
'Hanson, A.W.'
_publ_section_title
;
 The Crystal Structure of Eosphorite
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              384
_journal_page_last               387
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'Al Fe0.3333 H4 Mn0.6667 O7 P'
_chemical_name_systematic        'Al P O4 (Mn.6667 Fe.3333) (O H)2 (H2 O)'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-B 2 2ab'
_space_group_name_H-M_alt        'B b e m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.52
_cell_length_b                   13.6
_cell_length_c                   6.97
_cell_volume                     997.212
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Hanson_ACCRA9_1960_1003.cif
_cod_data_source_block           H4Al1Fe0.3333Mn0.6667O7P1
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-23
;
_cod_original_cell_volume        997.2119
_cod_original_sg_symbol_H-M      'B b c m'
_cod_original_formula_sum        'H4 Al1 Fe0.3333 Mn0.6667 O7 P1'
_cod_database_code               2310860
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,z
4 x,-y+1/2,-z+1/2
5 -x,-y,-z
6 x,-y-1/2,z-1/2
7 x,y,-z
8 -x,y-1/2,z-1/2
9 x+1/2,y,z+1/2
10 -x+1/2,y+1/2,-z+1
11 -x+1/2,-y,z+1/2
12 x+1/2,-y+1/2,-z+1
13 -x+1/2,-y,-z+1/2
14 x+1/2,-y-1/2,z
15 x+1/2,y,-z+1/2
16 -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
P1 P+5 0.3768 0.3334 0 1 0.0
O5 O-2 0.1334 0.6004 0.3202 1 0.0
O4 O-2 0.1103 0.41 0.1813 1 0.0
O2 O-2 0.0056 0.2195 0 1 0.0
Al1 Al+3 0.25 0 0.25 1 0.0
Mn1 Mn+2 0.1323 0.25 0.25 0.6667 0.0
O3 O-2 0.2528 0.0491 0 1 0.0
O1 O-2 0.2668 0.2553 0 1 0.0
Fe1 Fe+2 0.1323 0.25 0.25 0.3333 0.0
