#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015312.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_9015312
loop_
_publ_author_name
'Ferraris, G.'
'Jones, D. W.'
'Yerkess, J.'
_publ_section_title
;
 A neutron diffraction study of the crystal structure of calcium
 bis(dihydrogen arsenate), Ca(H2AsO4)2
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2430
_journal_page_last               2437
_journal_paper_doi               10.1107/S0567740872006247
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Ca H4 O8'
_chemical_name_mineral           Svenekite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.35
_cell_angle_beta                 109.52
_cell_angle_gamma                109.59
_cell_length_a                   8.558
_cell_length_b                   7.697
_cell_length_c                   5.721
_cell_formula_units_Z            2
_cell_volume                     329.621
_database_code_amcsd             0018340
_exptl_crystal_density_diffrn    3.244
_cod_original_formula_sum        'As2 Ca O8 H4'
_cod_database_code               9015312
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.34157 0.23990 -0.01476
As2 0.18712 0.76648 0.33085
Ca1 0.08150 0.18660 0.31250
O1 0.17410 0.06170 0.00320
O2 0.37850 0.40140 0.23680
O3 0.54170 0.20820 0.07340
O4 0.31090 0.32520 -0.27930
O5 0.04540 0.67010 0.03060
O6 0.12550 0.90650 0.47590
O7 0.17010 0.56720 0.46650
O8 0.39710 0.85950 0.34050
H1 0.56720 0.17600 -0.07750
H2 0.48950 0.51510 0.27630
H3 0.25930 0.59930 0.63620
H4 0.00000 0.50000 0.00000
H5 0.50000 0.00000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018340
