#------------------------------------------------------------------------------
#$Date: 2015-10-12 20:07:34 +0300 (Mon, 12 Oct 2015) $
#$Revision: 166413 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/80/1538013.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_1538013
loop_
_publ_author_name
'Fleet, M.E.'
_publ_section_title
;
 The crystal structure of maucherite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              203
_journal_page_last               210
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'As8 Ni11'
_chemical_name_systematic        'Ni11 As8'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.4362
_cell_length_b                   3.4362
_cell_length_c                   21.821
_cell_volume                     257.651
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fleet_AMMIAY_1973_1307.cif
_cod_data_source_block           As8Ni11
_cod_original_cell_volume        257.6508
_cod_database_code               1538013
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
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 0 0.25 0.375 1 0.0
Ni1 Ni 0 0.75 0.1076 0.25 0.0
Ni2 Ni 0 0.75 0.125 0.25 0.0
As2 As 0 0.25 0.998 0.5 0.0
Ni3 Ni 0 0.1292 0.2033 0.5 0.0
