#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/75/1527582.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_1527582
loop_
_publ_author_name
'Jacobs, H.'
'Kockelkorn, J.'
_publ_section_title
;
 Darstellung und Kristallstruktur des Rubidiumcalciumamids Rb Ca (N H2)3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              147
_journal_page_last               154
_journal_volume                  456
_journal_year                    1979
_chemical_formula_sum            'Ca H6 N3 Rb'
_chemical_name_systematic        'Rb Ca (N H2)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.08
_cell_length_b                   11.95
_cell_length_c                   6.54
_cell_volume                     524.730
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_1979_839.cif
_cod_data_source_block           H6Ca1N3Rb1
_cod_original_cell_volume        524.7295
_cod_original_formula_sum        'H6 Ca1 N3 Rb1'
_cod_database_code               1527582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
H3 H+1 0.303 0.027 0.373 1 0.0
N2 N-3 0.7541 0.9255 0.6651 1 0.0
H1 H+1 0.605 0.687 0.846 1 0.0
Rb1 Rb+1 0 0.2951 0.25 1 0.0
N1 N-3 0 0.8418 0.25 1 0.0
H2 H+1 0.178 0.38 0.702 1 0.0
Ca1 Ca+2 0 0 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046067
