#------------------------------------------------------------------------------
#$Date: 2015-10-10 04:51:37 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164533 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536708.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_1536708
loop_
_publ_author_name
'Wurth, A.'
'Mewis, A.'
'Johrendt, D.'
'Keimes, V.'
_publ_section_title
;
 Neue ternaere Phosphide und Arsenide mit einem
 Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2183
_journal_page_last               2190
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'As9 Ca4 Rh12.8'
_chemical_name_systematic        'Ca4 Rh12.8 As9'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.903
_cell_length_b                   11.221
_cell_length_c                   19.411
_cell_volume                     850.116
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wurth_ZAACAB_2001_194.cif
_cod_data_source_block           As9Ca4Rh12.8
_cod_original_cell_volume        850.1157
_cod_database_code               1536708
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
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
Rh7 Rh 0.25 0.25 0.65883 1 0.0
Rh2 Rh 0.25 0.37412 0.14058 1 0.0
Ca2 Ca 0.25 0.75 0.47623 1 0.0
As6 As 0.25 0.25 0.40348 1 0.0
Ca1 Ca 0.25 0.43381 0.7946 1 0.0
As3 As 0.25 0.56644 0.08185 1 0.0
Rh8 Rh 0.221 0.75 0.14114 0.3875 0.0
As5 As 0.25 0.75 0.26393 1 0.0
As2 As 0.25 0.06894 0.58438 1 0.0
Rh1 Rh 0.25 0.56818 0.33542 1 0.0
Ca3 Ca 0.25 0.25 0.97984 1 0.0
Rh6 Rh 0.25 0.75 0.77297 1 0.0
Rh5 Rh 0.25 0.62325 0.64627 1 0.0
As4 As 0.25 0.75 0.89955 1 0.0
Rh3 Rh 0.25 0.54639 0.95425 1 0.0
Rh4 Rh 0.25 0.44176 0.45956 1 0.0
As1 As 0.25 0.1128 0.26577 1 0.0
