#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536179.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_1536179
loop_
_publ_author_name
'Nuss, J.'
'Jansen, M.'
_publ_section_title
;
 Zur Abgrenzung der (Pb F Cl)- und (Cu2 Sb)-Strukturfamilien:
 Neubestimmung und Verfeinerung der Kristallstrukturen Cu Mg Sb, Cu2 Sb
 und Cu Mg As
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1152
_journal_page_last               1157
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'As Cu Mg'
_chemical_name_systematic        'Cu Mg As'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.46
_cell_length_b                   3.954
_cell_length_c                   7.3958
_cell_volume                     393.611
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nuss_ZAACAB_2002_510.cif
_cod_data_source_block           As1Cu1Mg1
_cod_original_cell_volume        393.6107
_cod_original_formula_sum        'As1 Cu1 Mg1'
_cod_database_code               1536179
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Cu2 Cu+1 0.18723 0.25 0.70027 1 0.0
Cu1 Cu+1 0.43566 0.25 0.06941 1 0.0
Mg2 Mg+2 0.14279 0.25 0.3253 1 0.0
As1 As-3 0.24814 0.25 0.02069 1 0.0
Mg1 Mg+2 0.39286 0.25 0.4442 1 0.0
As2 As-3 4e-05 0.25 0.75218 1 0.0
