# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Mg[NH]'
_chemical_formula_sum 'H Mg N'

loop_
_publ_author_name
 'F. Dolci'
 'E. Napolitano'
 'E. Weidner'
 'S. Enzo'
 'P. Moretto'
 'M. Brunelli'
 'T. Hansen'
 'M. Fichtner'
 'W. Lohstroh'
_journal_name_full_name
;
 Inorganic Chemistry
;
_journal_volume 50
_journal_year 2011
_journal_page_first 1116
_journal_page_last 1122
_publ_Section_title
;
 Magnesium imide: synthesis and structure determination of an unconventional alkaline earth imide from decomposition of magnesium amide
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Mg[NH] Structure'
_aflow_proto 'ABC_hP36_175_jk_jk_jk'
_aflow_params 'a,c/a,x_{1},y_{1},x_{2},y_{2},x_{3},y_{3},x_{4},y_{4},x_{5},y_{5},x_{6},y_{6}'
_aflow_params_values '11.5799622371,0.317895264089,0.255,0.0598,0.1323,0.416,0.3483,0.0762,0.2334,0.5727,0.4279,0.0715,0.1367,0.5046'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP36'

_cell_length_a    11.5799622371
_cell_length_b    11.5799622371
_cell_length_c    3.6812151535
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 6/m"
_symmetry_Int_Tables_number 175
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 -x,-y,-z
8 -x+y,-x,-z
9 y,-x+y,-z
10 x,y,-z
11 x-y,x,-z
12 -y,x-y,-z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1  H    6 j 0.25500 0.05980 0.00000 1.00000
Mg1 Mg   6 j 0.13230 0.41600 0.00000 1.00000
N1  N    6 j 0.34830 0.07620 0.00000 1.00000
H2  H    6 k 0.23340 0.57270 0.50000 1.00000
Mg2 Mg   6 k 0.42790 0.07150 0.50000 1.00000
N2  N    6 k 0.13670 0.50460 0.50000 1.00000
