#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/24/9012423.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012423
loop_
_publ_author_name
'Dahlman, B.'
_publ_section_title
;The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite,
 MnCa2(AsO4)2*2H2O Locality: Harstigen mine, Sweden
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              339
_journal_page_last               366
_journal_volume                  1
_journal_year                    1952
_chemical_formula_sum            'As2 Ca2 H4 Mn O10'
_chemical_name_mineral           Brandtite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 80.5
_cell_angle_gamma                90
_cell_length_a                   5.65
_cell_length_b                   12.80
_cell_length_c                   5.65
_cell_volume                     403.004
_exptl_crystal_density_diffrn    3.700
_cod_original_formula_sum        'Mn Ca2 As2 O10 H4'
_cod_database_code               9012423
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn 0.00000 0.00000 0.00000
Ca 0.42800 0.12000 0.25300
As 0.77700 0.12200 0.56600
O1 0.04800 0.16500 0.52200
O2 0.69400 0.05500 0.81600
O3 0.75600 0.03000 0.33600
O4 0.55900 0.20800 0.56600
Wat 0.20800 0.13600 0.93500