#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/03/8100364.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_8100364
loop_
_publ_author_name
'Niewa, R.'
'Zherebtsov, D. A.'
'Höhn, P.'
_publ_section_title
;
Crystal structure of tristrontium tetranitridochromate(VI), Sr₃[CrN₄]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              163
_journal_page_last               163
_journal_volume                  218
_journal_year                    2003
_chemical_formula_analytical     'Sr3 [Cr N4]'
_chemical_formula_structural     'Sr3 Cr N4'
_chemical_formula_sum            'Cr N4 Sr3'
_chemical_formula_weight         370.88
_chemical_name_common            'Sr3 Cr N4'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.19753(1)
_cell_length_b                   9.56517(1)
_cell_length_c                   11.16753(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1089.29(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.5229(2)
_cod_original_formula_sum        'Cr1 N4 Sr3'
_cod_database_code               8100364
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
-1/2+x,-1/2-y,-z
-x,-1/2+y,-1/2-z
-1/2+x,y,-1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_type_symbol
_atom_site_occupancy
Sr(1) 0.02778(9) 0.12894(1) 0.14518(8) Uiso 0.0056(7) 8 Sr 1.
Sr(2) 0.12810(8) 0.47161(1) 0.10452(8) Uiso 0.0030(7) 8 Sr 1.
Sr(3) 0.21984(1) 0.30365(1) 0.38670(1) Uiso 0.0061(7) 8 Sr 1.
Cr 0.40045(1) 0.3054(2) 0.11224(2) Uiso 0.0049(5) 8 Cr 1.
N(1) 0.9946(6) 0.3795(8) 0.2694(6) Uiso 0.0050(7) 8 N 1.
N(2) 0.3506(7) 0.4306(8) 0.0102(6) Uiso 0.0050(7) 8 N 1.
N(3) 0.0048(7) 0.1857(7) 0.4657(6) Uiso 0.0050(7) 8 N 1.
N(4) 0.2684(7) 0.2225(7) 0.1721(6) Uiso 0.0050(7) 8 N 1.
