#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:13:11 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161760 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/47/1534778.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_1534778
loop_
_publ_author_name
'Bailey, M.S.'
'McGuire, M.A.'
'DiSalvo, F.J.'
_publ_section_title
;
 Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2177
_journal_page_last               2185
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Mo4 N14 Sr10'
_chemical_name_systematic        'Sr10 (Mo2 N6) (Mo N4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                64.939
_cell_angle_beta                 82.961
_cell_angle_gamma                89.692
_cell_formula_units_Z            1
_cell_length_a                   6.4214
_cell_length_b                   9.19
_cell_length_c                   9.263
_cell_volume                     490.782
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bailey_ZAACAB_2004_1530.cif
_cod_data_source_block           Mo4N14Sr10
_cod_original_cell_volume        490.7818
_cod_database_code               1534778
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
N6 N-3 0.1504 0.6985 0.4414 1 0.0
Mo2 Mo+5 0.57956 0.35721 0.52468 1 0.0
Sr4 Sr+2 0.70697 0.41587 0.1481 1 0.0
Sr5 Sr+2 0.73462 0.00963 0.56602 1 0.0
Mo1 Mo+5 0.11792 0.21498 0.08849 1 0.0
N1 N-2 0.0331 0.6536 0.0763 1 0.0
Sr2 Sr+2 0.1511 0.41111 0.32775 1 0.0
N5 N-3 0.4136 0.1924 0.5304 1 0.0
N3 N-2 0.2297 0.0492 0.0445 1 0.0
N7 N-3 0.5418 0.5561 0.3216 1 0.0
N2 N-2 0.3498 0.3279 0.102 1 0.0
Sr1 Sr+2 0.10859 0.15752 0.76244 1 0.0
N4 N-2 0.945 0.1377 0.2852 1 0.0
Sr3 Sr+2 0.40323 0.79065 0.07628 1 0.0
